Daily Papers

The exponential growth of Large Language Models (LLMs) continues to highlight the need for efficient strategies to meet ever-expanding computational and data demands. This survey provides a comprehensive analysis of two complementary paradigms: Knowledge Distillation (KD) and Dataset Distillation (DD), both aimed at compressing LLMs while preserving their advanced reasoning capabilities and linguistic diversity. We first examine key methodologies in KD, such as task-specific alignment, rationale-based training, and multi-teacher frameworks, alongside DD techniques that synthesize compact, high-impact datasets through optimization-based gradient matching, latent space regularization, and generative synthesis. Building on these foundations, we explore how integrating KD and DD can produce more effective and scalable compression strategies. Together, these approaches address persistent challenges in model scalability, architectural heterogeneity, and the preservation of emergent LLM abilities. We further highlight applications across domains such as healthcare and education, where distillation enables efficient deployment without sacrificing performance. Despite substantial progress, open challenges remain in preserving emergent reasoning and linguistic diversity, enabling efficient adaptation to continually evolving teacher models and datasets, and establishing comprehensive evaluation protocols. By synthesizing methodological innovations, theoretical foundations, and practical insights, our survey charts a path toward sustainable, resource-efficient LLMs through the tighter integration of KD and DD principles.

The great success of machine learning with massive amounts of data comes at a price of huge computation costs and storage for training and tuning. Recent studies on dataset condensation attempt to reduce the dependence on such massive data by synthesizing a compact training dataset. However, the existing approaches have fundamental limitations in optimization due to the limited representability of synthetic datasets without considering any data regularity characteristics. To this end, we propose a novel condensation framework that generates multiple synthetic data with a limited storage budget via efficient parameterization considering data regularity. We further analyze the shortcomings of the existing gradient matching-based condensation methods and develop an effective optimization technique for improving the condensation of training data information. We propose a unified algorithm that drastically improves the quality of condensed data against the current state-of-the-art on CIFAR-10, ImageNet, and Speech Commands.

We introduce Equilibrium Matching (EqM), a generative modeling framework built from an equilibrium dynamics perspective. EqM discards the non-equilibrium, time-conditional dynamics in traditional diffusion and flow-based generative models and instead learns the equilibrium gradient of an implicit energy landscape. Through this approach, we can adopt an optimization-based sampling process at inference time, where samples are obtained by gradient descent on the learned landscape with adjustable step sizes, adaptive optimizers, and adaptive compute. EqM surpasses the generation performance of diffusion/flow models empirically, achieving an FID of 1.90 on ImageNet 256times256. EqM is also theoretically justified to learn and sample from the data manifold. Beyond generation, EqM is a flexible framework that naturally handles tasks including partially noised image denoising, OOD detection, and image composition. By replacing time-conditional velocities with a unified equilibrium landscape, EqM offers a tighter bridge between flow and energy-based models and a simple route to optimization-driven inference.

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

This work considers gradient-based mesh optimization, where we iteratively optimize for a 3D surface mesh by representing it as the isosurface of a scalar field, an increasingly common paradigm in applications including photogrammetry, generative modeling, and inverse physics. Existing implementations adapt classic isosurface extraction algorithms like Marching Cubes or Dual Contouring; these techniques were designed to extract meshes from fixed, known fields, and in the optimization setting they lack the degrees of freedom to represent high-quality feature-preserving meshes, or suffer from numerical instabilities. We introduce FlexiCubes, an isosurface representation specifically designed for optimizing an unknown mesh with respect to geometric, visual, or even physical objectives. Our main insight is to introduce additional carefully-chosen parameters into the representation, which allow local flexible adjustments to the extracted mesh geometry and connectivity. These parameters are updated along with the underlying scalar field via automatic differentiation when optimizing for a downstream task. We base our extraction scheme on Dual Marching Cubes for improved topological properties, and present extensions to optionally generate tetrahedral and hierarchically-adaptive meshes. Extensive experiments validate FlexiCubes on both synthetic benchmarks and real-world applications, showing that it offers significant improvements in mesh quality and geometric fidelity.

Recently, GRPO-based reinforcement learning has shown remarkable progress in optimizing flow-matching models, effectively improving their alignment with task-specific rewards. Within these frameworks, the policy update relies on importance-ratio clipping to constrain overconfident positive and negative gradients. However, in practice, we observe a systematic shift in the importance-ratio distribution-its mean falls below 1 and its variance differs substantially across timesteps. This left-shifted and inconsistent distribution prevents positive-advantage samples from entering the clipped region, causing the mechanism to fail in constraining overconfident positive updates. As a result, the policy model inevitably enters an implicit over-optimization stage-while the proxy reward continues to increase, essential metrics such as image quality and text-prompt alignment deteriorate sharply, ultimately making the learned policy impractical for real-world use. To address this issue, we introduce GRPO-Guard, a simple yet effective enhancement to existing GRPO frameworks. Our method incorporates ratio normalization, which restores a balanced and step-consistent importance ratio, ensuring that PPO clipping properly constrains harmful updates across denoising timesteps. In addition, a gradient reweighting strategy equalizes policy gradients over noise conditions, preventing excessive updates from particular timestep regions. Together, these designs act as a regulated clipping mechanism, stabilizing optimization and substantially mitigating implicit over-optimization without relying on heavy KL regularization. Extensive experiments on multiple diffusion backbones (e.g., SD3.5M, Flux.1-dev) and diverse proxy tasks demonstrate that GRPO-Guard significantly reduces over-optimization while maintaining or even improving generation quality.

Machine learning systems typically assume that the distributions of training and test sets match closely. However, a critical requirement of such systems in the real world is their ability to generalize to unseen domains. Here, we propose an inter-domain gradient matching objective that targets domain generalization by maximizing the inner product between gradients from different domains. Since direct optimization of the gradient inner product can be computationally prohibitive -- requires computation of second-order derivatives -- we derive a simpler first-order algorithm named Fish that approximates its optimization. We demonstrate the efficacy of Fish on 6 datasets from the Wilds benchmark, which captures distribution shift across a diverse range of modalities. Our method produces competitive results on these datasets and surpasses all baselines on 4 of them. We perform experiments on both the Wilds benchmark, which captures distribution shift in the real world, as well as datasets in DomainBed benchmark that focuses more on synthetic-to-real transfer. Our method produces competitive results on both benchmarks, demonstrating its effectiveness across a wide range of domain generalization tasks.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

The strength of modern generative models lies in their ability to be controlled through text-based prompts. Typical "hard" prompts are made from interpretable words and tokens, and must be hand-crafted by humans. There are also "soft" prompts, which consist of continuous feature vectors. These can be discovered using powerful optimization methods, but they cannot be easily interpreted, re-used across models, or plugged into a text-based interface. We describe an approach to robustly optimize hard text prompts through efficient gradient-based optimization. Our approach automatically generates hard text-based prompts for both text-to-image and text-to-text applications. In the text-to-image setting, the method creates hard prompts for diffusion models, allowing API users to easily generate, discover, and mix and match image concepts without prior knowledge on how to prompt the model. In the text-to-text setting, we show that hard prompts can be automatically discovered that are effective in tuning LMs for classification.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

We present Style Matching Score (SMS), a novel optimization method for image stylization with diffusion models. Balancing effective style transfer with content preservation is a long-standing challenge. Unlike existing efforts, our method reframes image stylization as a style distribution matching problem. The target style distribution is estimated from off-the-shelf style-dependent LoRAs via carefully designed score functions. To preserve content information adaptively, we propose Progressive Spectrum Regularization, which operates in the frequency domain to guide stylization progressively from low-frequency layouts to high-frequency details. In addition, we devise a Semantic-Aware Gradient Refinement technique that leverages relevance maps derived from diffusion semantic priors to selectively stylize semantically important regions. The proposed optimization formulation extends stylization from pixel space to parameter space, readily applicable to lightweight feedforward generators for efficient one-step stylization. SMS effectively balances style alignment and content preservation, outperforming state-of-the-art approaches, verified by extensive experiments.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

We introduce a new algorithm named WGAN, an alternative to traditional GAN training. In this new model, we show that we can improve the stability of learning, get rid of problems like mode collapse, and provide meaningful learning curves useful for debugging and hyperparameter searches. Furthermore, we show that the corresponding optimization problem is sound, and provide extensive theoretical work highlighting the deep connections to other distances between distributions.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

The vast majority of successful deep neural networks are trained using variants of stochastic gradient descent (SGD) algorithms. Recent attempts to improve SGD can be broadly categorized into two approaches: (1) adaptive learning rate schemes, such as AdaGrad and Adam, and (2) accelerated schemes, such as heavy-ball and Nesterov momentum. In this paper, we propose a new optimization algorithm, Lookahead, that is orthogonal to these previous approaches and iteratively updates two sets of weights. Intuitively, the algorithm chooses a search direction by looking ahead at the sequence of fast weights generated by another optimizer. We show that Lookahead improves the learning stability and lowers the variance of its inner optimizer with negligible computation and memory cost. We empirically demonstrate Lookahead can significantly improve the performance of SGD and Adam, even with their default hyperparameter settings on ImageNet, CIFAR-10/100, neural machine translation, and Penn Treebank.

This paper presents a novel framework for aligning learnable latent spaces to arbitrary target distributions by leveraging flow-based generative models as priors. Our method first pretrains a flow model on the target features to capture the underlying distribution. This fixed flow model subsequently regularizes the latent space via an alignment loss, which reformulates the flow matching objective to treat the latents as optimization targets. We formally prove that minimizing this alignment loss establishes a computationally tractable surrogate objective for maximizing a variational lower bound on the log-likelihood of latents under the target distribution. Notably, the proposed method eliminates computationally expensive likelihood evaluations and avoids ODE solving during optimization. As a proof of concept, we demonstrate in a controlled setting that the alignment loss landscape closely approximates the negative log-likelihood of the target distribution. We further validate the effectiveness of our approach through large-scale image generation experiments on ImageNet with diverse target distributions, accompanied by detailed discussions and ablation studies. With both theoretical and empirical validation, our framework paves a new way for latent space alignment.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

Text-to-image generative models excel in creating images from text but struggle with ensuring alignment and consistency between outputs and prompts. This paper introduces TextMatch, a novel framework that leverages multimodal optimization to address image-text discrepancies in text-to-image (T2I) generation and editing. TextMatch employs a scoring strategy powered by large language models (LLMs) and visual question-answering (VQA) models to evaluate semantic consistency between prompts and generated images. By integrating multimodal in-context learning and chain of thought reasoning, our method dynamically refines prompts through iterative optimization. This process ensures that the generated images better capture user intent of, resulting in higher fidelity and relevance. Extensive experiments demonstrate that TextMatch significantly improves text-image consistency across multiple benchmarks, establishing a reliable framework for advancing the capabilities of text-to-image generative models. Our code is available at https://anonymous.4open.science/r/TextMatch-F55C/.

We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an epsilon-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still under-explored. Popular methods decouple the super-network training from the sub-network search and use performance predictors to reduce the computational burden of searching on different hardware platforms. We propose a flexible search framework that automatically and efficiently finds optimal sub-networks that are optimized for different performance metrics and hardware configurations. Specifically, we show how evolutionary algorithms can be paired with lightly trained objective predictors in an iterative cycle to accelerate architecture search in a multi-objective setting for various modalities including machine translation and image classification.

This paper provides a pair similarity optimization viewpoint on deep feature learning, aiming to maximize the within-class similarity s_p and minimize the between-class similarity s_n. We find a majority of loss functions, including the triplet loss and the softmax plus cross-entropy loss, embed s_n and s_p into similarity pairs and seek to reduce (s_n-s_p). Such an optimization manner is inflexible, because the penalty strength on every single similarity score is restricted to be equal. Our intuition is that if a similarity score deviates far from the optimum, it should be emphasized. To this end, we simply re-weight each similarity to highlight the less-optimized similarity scores. It results in a Circle loss, which is named due to its circular decision boundary. The Circle loss has a unified formula for two elemental deep feature learning approaches, i.e. learning with class-level labels and pair-wise labels. Analytically, we show that the Circle loss offers a more flexible optimization approach towards a more definite convergence target, compared with the loss functions optimizing (s_n-s_p). Experimentally, we demonstrate the superiority of the Circle loss on a variety of deep feature learning tasks. On face recognition, person re-identification, as well as several fine-grained image retrieval datasets, the achieved performance is on par with the state of the art.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

The use of relative representations for latent embeddings has shown potential in enabling latent space communication and zero-shot model stitching across a wide range of applications. Nevertheless, relative representations rely on a certain amount of parallel anchors to be given as input, which can be impractical to obtain in certain scenarios. To overcome this limitation, we propose an optimization-based method to discover new parallel anchors from a limited known set (seed). Our approach can be used to find semantic correspondence between different domains, align their relative spaces, and achieve competitive results in several tasks.

A common architectural choice for deep metric learning is a convolutional neural network followed by global average pooling (GAP). Albeit simple, GAP is a highly effective way to aggregate information. One possible explanation for the effectiveness of GAP is considering each feature vector as representing a different semantic entity and GAP as a convex combination of them. Following this perspective, we generalize GAP and propose a learnable generalized sum pooling method (GSP). GSP improves GAP with two distinct abilities: i) the ability to choose a subset of semantic entities, effectively learning to ignore nuisance information, and ii) learning the weights corresponding to the importance of each entity. Formally, we propose an entropy-smoothed optimal transport problem and show that it is a strict generalization of GAP, i.e., a specific realization of the problem gives back GAP. We show that this optimization problem enjoys analytical gradients enabling us to use it as a direct learnable replacement for GAP. We further propose a zero-shot loss to ease the learning of GSP. We show the effectiveness of our method with extensive evaluations on 4 popular metric learning benchmarks. Code is available at: GSP-DML Framework

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting (OPRO), a simple and effective approach to leverage large language models (LLMs) as optimizers, where the optimization task is described in natural language. In each optimization step, the LLM generates new solutions from the prompt that contains previously generated solutions with their values, then the new solutions are evaluated and added to the prompt for the next optimization step. We first showcase OPRO on linear regression and traveling salesman problems, then move on to prompt optimization where the goal is to find instructions that maximize the task accuracy. With a variety of LLMs, we demonstrate that the best prompts optimized by OPRO outperform human-designed prompts by up to 8% on GSM8K, and by up to 50% on Big-Bench Hard tasks.

This paper addresses the difficult problem of finding an optimal neural architecture design for a given image classification task. We propose a method that aggregates two main results of the previous state-of-the-art in neural architecture search. These are, appealing to the strong sampling efficiency of a search scheme based on sequential model-based optimization (SMBO), and increasing training efficiency by sharing weights among sampled architectures. Sequential search has previously demonstrated its capabilities to find state-of-the-art neural architectures for image classification. However, its computational cost remains high, even unreachable under modest computational settings. Affording SMBO with weight-sharing alleviates this problem. On the other hand, progressive search with SMBO is inherently greedy, as it leverages a learned surrogate function to predict the validation error of neural architectures. This prediction is directly used to rank the sampled neural architectures. We propose to attenuate the greediness of the original SMBO method by relaxing the role of the surrogate function so it predicts architecture sampling probability instead. We demonstrate with experiments on the CIFAR-10 dataset that our method, denominated Efficient progressive neural architecture search (EPNAS), leads to increased search efficiency, while retaining competitiveness of found architectures.

Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.

Robust validation metrics remain essential in contemporary deep learning, not only to detect overfitting and poor generalization, but also to monitor training dynamics. In the supervised classification setting, we investigate whether interactions between training data and model weights can yield such a metric that both tracks generalization during training and attributes performance to individual training samples. We introduce Gradient-Weight Alignment (GWA), quantifying the coherence between per-sample gradients and model weights. We show that effective learning corresponds to coherent alignment, while misalignment indicates deteriorating generalization. GWA is efficiently computable during training and reflects both sample-specific contributions and dataset-wide learning dynamics. Extensive experiments show that GWA accurately predicts optimal early stopping, enables principled model comparisons, and identifies influential training samples, providing a validation-set-free approach for model analysis directly from the training data.

Feature-based image matching has extensive applications in computer vision. Keypoints detected in images can be naturally represented as graph structures, and Graph Neural Networks (GNNs) have been shown to outperform traditional deep learning techniques. Consequently, the paradigm of image matching via GNNs has gained significant prominence in recent academic research. In this paper, we first introduce an innovative adaptive graph construction method that utilizes a filtering mechanism based on distance and dynamic threshold similarity. This method dynamically adjusts the criteria for incorporating new vertices based on the characteristics of existing vertices, allowing for the construction of more precise and robust graph structures while avoiding redundancy. We further combine the vertex processing capabilities of GNNs with the global awareness capabilities of Transformers to enhance the model's representation of spatial and feature information within graph structures. This hybrid model provides a deeper understanding of the interrelationships between vertices and their contributions to the matching process. Additionally, we employ the Sinkhorn algorithm to iteratively solve for optimal matching results. Finally, we validate our system using extensive image datasets and conduct comprehensive comparative experiments. Experimental results demonstrate that our system achieves an average improvement of 3.8x-40.3x in overall matching performance. Additionally, the number of vertices and edges significantly impacts training efficiency and memory usage; therefore, we employ multi-GPU technology to accelerate the training process. Our code is available at https://github.com/songxf1024/GIMS.

This paper presents a simple and effective visual prompting method for adapting pre-trained models to downstream recognition tasks. Our method includes two key designs. First, rather than directly adding together the prompt and the image, we treat the prompt as an extra and independent learnable component. We show that the strategy of reconciling the prompt and the image matters, and find that warping the prompt around a properly shrinked image empirically works the best. Second, we re-introduce two "old tricks" commonly used in building transferable adversarial examples, i.e., input diversity and gradient normalization, into visual prompting. These techniques improve optimization and enable the prompt to generalize better. We provide extensive experimental results to demonstrate the effectiveness of our method. Using a CLIP model, our prompting method sets a new record of 82.8% average accuracy across 12 popular classification datasets, substantially surpassing the prior art by +5.6%. It is worth noting that this prompting performance already outperforms linear probing by +2.1% and can even match fully fine-tuning in certain datasets. In addition, our prompting method shows competitive performance across different data scales and against distribution shifts. The code is publicly available at https://github.com/UCSC-VLAA/EVP.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

In a multi-task learning (MTL) setting, a single model is trained to tackle a diverse set of tasks jointly. Despite rapid progress in the field, MTL remains challenging due to optimization issues such as conflicting and dominating gradients. In this work, we propose using a condition number of a linear system of gradients as a stability criterion of an MTL optimization. We theoretically demonstrate that a condition number reflects the aforementioned optimization issues. Accordingly, we present Aligned-MTL, a novel MTL optimization approach based on the proposed criterion, that eliminates instability in the training process by aligning the orthogonal components of the linear system of gradients. While many recent MTL approaches guarantee convergence to a minimum, task trade-offs cannot be specified in advance. In contrast, Aligned-MTL provably converges to an optimal point with pre-defined task-specific weights, which provides more control over the optimization result. Through experiments, we show that the proposed approach consistently improves performance on a diverse set of MTL benchmarks, including semantic and instance segmentation, depth estimation, surface normal estimation, and reinforcement learning. The source code is publicly available at https://github.com/SamsungLabs/MTL .

Obtaining large pre-trained models that can be fine-tuned to new tasks with limited annotated samples has remained an open challenge for medical imaging data. While pre-trained deep networks on ImageNet and vision-language foundation models trained on web-scale data are prevailing approaches, their effectiveness on medical tasks is limited due to the significant domain shift between natural and medical images. To bridge this gap, we introduce LVM-Med, the first family of deep networks trained on large-scale medical datasets. We have collected approximately 1.3 million medical images from 55 publicly available datasets, covering a large number of organs and modalities such as CT, MRI, X-ray, and Ultrasound. We benchmark several state-of-the-art self-supervised algorithms on this dataset and propose a novel self-supervised contrastive learning algorithm using a graph-matching formulation. The proposed approach makes three contributions: (i) it integrates prior pair-wise image similarity metrics based on local and global information; (ii) it captures the structural constraints of feature embeddings through a loss function constructed via a combinatorial graph-matching objective; and (iii) it can be trained efficiently end-to-end using modern gradient-estimation techniques for black-box solvers. We thoroughly evaluate the proposed LVM-Med on 15 downstream medical tasks ranging from segmentation and classification to object detection, and both for the in and out-of-distribution settings. LVM-Med empirically outperforms a number of state-of-the-art supervised, self-supervised, and foundation models. For challenging tasks such as Brain Tumor Classification or Diabetic Retinopathy Grading, LVM-Med improves previous vision-language models trained on 1 billion masks by 6-7% while using only a ResNet-50.

The remarkable success of diffusion and flow-matching models has ignited a surge of works on adapting them at test time for controlled generation tasks. Examples range from image editing to restoration, compression and personalization. However, due to the iterative nature of the sampling process in those models, it is computationally impractical to use gradient-based optimization to directly control the image generated at the end of the process. As a result, existing methods typically resort to manipulating each timestep separately. Here we introduce FlowOpt - a zero-order (gradient-free) optimization framework that treats the entire flow process as a black box, enabling optimization through the whole sampling path without backpropagation through the model. Our method is both highly efficient and allows users to monitor the intermediate optimization results and perform early stopping if desired. We prove a sufficient condition on FlowOpt's step-size, under which convergence to the global optimum is guaranteed. We further show how to empirically estimate this upper bound so as to choose an appropriate step-size. We demonstrate how FlowOpt can be used for image editing, showcasing two options: (i) inversion (determining the initial noise that generates a given image), and (ii) directly steering the edited image to be similar to the source image while conforming to a target text prompt. In both cases, FlowOpt achieves state-of-the-art results while using roughly the same number of neural function evaluations (NFEs) as existing methods. Code and examples are available on the project's webpage.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

We propose a method that achieves near-optimal rates for smooth stochastic convex optimization and requires essentially no prior knowledge of problem parameters. This improves on prior work which requires knowing at least the initial distance to optimality d0. Our method, U-DoG, combines UniXGrad (Kavis et al., 2019) and DoG (Ivgi et al., 2023) with novel iterate stabilization techniques. It requires only loose bounds on d0 and the noise magnitude, provides high probability guarantees under sub-Gaussian noise, and is also near-optimal in the non-smooth case. Our experiments show consistent, strong performance on convex problems and mixed results on neural network training.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Contrastive representation learning has been outstandingly successful in practice. In this work, we identify two key properties related to the contrastive loss: (1) alignment (closeness) of features from positive pairs, and (2) uniformity of the induced distribution of the (normalized) features on the hypersphere. We prove that, asymptotically, the contrastive loss optimizes these properties, and analyze their positive effects on downstream tasks. Empirically, we introduce an optimizable metric to quantify each property. Extensive experiments on standard vision and language datasets confirm the strong agreement between both metrics and downstream task performance. Remarkably, directly optimizing for these two metrics leads to representations with comparable or better performance at downstream tasks than contrastive learning. Project Page: https://tongzhouwang.info/hypersphere Code: https://github.com/SsnL/align_uniform , https://github.com/SsnL/moco_align_uniform

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

There are two widely known issues with properly training Recurrent Neural Networks, the vanishing and the exploding gradient problems detailed in Bengio et al. (1994). In this paper we attempt to improve the understanding of the underlying issues by exploring these problems from an analytical, a geometric and a dynamical systems perspective. Our analysis is used to justify a simple yet effective solution. We propose a gradient norm clipping strategy to deal with exploding gradients and a soft constraint for the vanishing gradients problem. We validate empirically our hypothesis and proposed solutions in the experimental section.

This paper addresses the scalability challenge of architecture search by formulating the task in a differentiable manner. Unlike conventional approaches of applying evolution or reinforcement learning over a discrete and non-differentiable search space, our method is based on the continuous relaxation of the architecture representation, allowing efficient search of the architecture using gradient descent. Extensive experiments on CIFAR-10, ImageNet, Penn Treebank and WikiText-2 show that our algorithm excels in discovering high-performance convolutional architectures for image classification and recurrent architectures for language modeling, while being orders of magnitude faster than state-of-the-art non-differentiable techniques. Our implementation has been made publicly available to facilitate further research on efficient architecture search algorithms.

Recently the LARS and LAMB optimizers have been proposed for training neural networks faster using large batch sizes. LARS and LAMB add layer-wise normalization to the update rules of Heavy-ball momentum and Adam, respectively, and have become popular in prominent benchmarks and deep learning libraries. However, without fair comparisons to standard optimizers, it remains an open question whether LARS and LAMB have any benefit over traditional, generic algorithms. In this work we demonstrate that standard optimization algorithms such as Nesterov momentum and Adam can match or exceed the results of LARS and LAMB at large batch sizes. Our results establish new, stronger baselines for future comparisons at these batch sizes and shed light on the difficulties of comparing optimizers for neural network training more generally.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

In this paper, we address the challenge of matching semantically similar keypoints across image pairs. Existing research indicates that the intermediate output of the UNet within the Stable Diffusion (SD) can serve as robust image feature maps for such a matching task. We demonstrate that by employing a basic prompt tuning technique, the inherent potential of Stable Diffusion can be harnessed, resulting in a significant enhancement in accuracy over previous approaches. We further introduce a novel conditional prompting module that conditions the prompt on the local details of the input image pairs, leading to a further improvement in performance. We designate our approach as SD4Match, short for Stable Diffusion for Semantic Matching. Comprehensive evaluations of SD4Match on the PF-Pascal, PF-Willow, and SPair-71k datasets show that it sets new benchmarks in accuracy across all these datasets. Particularly, SD4Match outperforms the previous state-of-the-art by a margin of 12 percentage points on the challenging SPair-71k dataset.

The image matching field has been witnessing a continuous emergence of novel learnable feature matching techniques, with ever-improving performance on conventional benchmarks. However, our investigation shows that despite these gains, their potential for real-world applications is restricted by their limited generalization capabilities to novel image domains. In this paper, we introduce OmniGlue, the first learnable image matcher that is designed with generalization as a core principle. OmniGlue leverages broad knowledge from a vision foundation model to guide the feature matching process, boosting generalization to domains not seen at training time. Additionally, we propose a novel keypoint position-guided attention mechanism which disentangles spatial and appearance information, leading to enhanced matching descriptors. We perform comprehensive experiments on a suite of 7 datasets with varied image domains, including scene-level, object-centric and aerial images. OmniGlue's novel components lead to relative gains on unseen domains of 20.9% with respect to a directly comparable reference model, while also outperforming the recent LightGlue method by 9.5% relatively.Code and model can be found at https://hwjiang1510.github.io/OmniGlue

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient computation, such as locking and memorization requirements. The cost is the requirement to guess the step direction, which is hard in high dimensions. While current solutions rely on weighted averages over isotropic guess vector distributions, we propose to strongly bias our gradient guesses in directions that are much more promising, such as feedback obtained from small, local auxiliary networks. For a standard computer vision neural network, we conduct a rigorous study systematically covering a variety of combinations of gradient targets and gradient guesses, including those previously presented in the literature. We find that using gradients obtained from a local loss as a candidate direction drastically improves on random noise in Forward Gradient methods.

Subgraph matching is a fundamental building block for graph-based applications and is challenging due to its high-order combinatorial nature. Existing studies usually tackle it by combinatorial optimization or learning-based methods. However, they suffer from exponential computational costs or searching the matching without theoretical guarantees. In this paper, we develop D2Match by leveraging the efficiency of Deep learning and Degeneracy for subgraph matching. More specifically, we first prove that subgraph matching can degenerate to subtree matching, and subsequently is equivalent to finding a perfect matching on a bipartite graph. We can then yield an implementation of linear time complexity by the built-in tree-structured aggregation mechanism on graph neural networks. Moreover, circle structures and node attributes can be easily incorporated in D2Match to boost the matching performance. Finally, we conduct extensive experiments to show the superior performance of our D2Match and confirm that our D2Match indeed exploits the subtrees and differs from existing GNNs-based subgraph matching methods that depend on memorizing the data distribution divergence

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with proper designs, the evolution of neural networks during training can be accurately modeled by a series of kernel regression tasks. Furthermore, by applying an early-stopping rule for gradient descent and leveraging recent developments in neural tangent kernels, we establish the first generalization error (sample complexity) bounds for learning the score function with neural networks, despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.

Model-based human pose estimation is currently approached through two different paradigms. Optimization-based methods fit a parametric body model to 2D observations in an iterative manner, leading to accurate image-model alignments, but are often slow and sensitive to the initialization. In contrast, regression-based methods, that use a deep network to directly estimate the model parameters from pixels, tend to provide reasonable, but not pixel accurate, results while requiring huge amounts of supervision. In this work, instead of investigating which approach is better, our key insight is that the two paradigms can form a strong collaboration. A reasonable, directly regressed estimate from the network can initialize the iterative optimization making the fitting faster and more accurate. Similarly, a pixel accurate fit from iterative optimization can act as strong supervision for the network. This is the core of our proposed approach SPIN (SMPL oPtimization IN the loop). The deep network initializes an iterative optimization routine that fits the body model to 2D joints within the training loop, and the fitted estimate is subsequently used to supervise the network. Our approach is self-improving by nature, since better network estimates can lead the optimization to better solutions, while more accurate optimization fits provide better supervision for the network. We demonstrate the effectiveness of our approach in different settings, where 3D ground truth is scarce, or not available, and we consistently outperform the state-of-the-art model-based pose estimation approaches by significant margins. The project website with videos, results, and code can be found at https://seas.upenn.edu/~nkolot/projects/spin.

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

State-of-the-art text-to-image models produce visually impressive results but often struggle with precise alignment to text prompts, leading to missing critical elements or unintended blending of distinct concepts. We propose a novel approach that learns a high-success-rate distribution conditioned on a target prompt, ensuring that generated images faithfully reflect the corresponding prompts. Our method explicitly models the signal component during the denoising process, offering fine-grained control that mitigates over-optimization and out-of-distribution artifacts. Moreover, our framework is training-free and seamlessly integrates with both existing diffusion and flow matching architectures. It also supports additional conditioning modalities -- such as bounding boxes -- for enhanced spatial alignment. Extensive experiments demonstrate that our approach outperforms current state-of-the-art methods. The code is available at https://github.com/grimalPaul/gsn-factory.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

Text-to-image (T2I) diffusion models have demonstrated impressive capabilities in generating high-quality images given a text prompt. However, ensuring the prompt-image alignment remains a considerable challenge, i.e., generating images that faithfully align with the prompt's semantics. Recent works attempt to improve the faithfulness by optimizing the latent code, which potentially could cause the latent code to go out-of-distribution and thus produce unrealistic images. In this paper, we propose FRAP, a simple, yet effective approach based on adaptively adjusting the per-token prompt weights to improve prompt-image alignment and authenticity of the generated images. We design an online algorithm to adaptively update each token's weight coefficient, which is achieved by minimizing a unified objective function that encourages object presence and the binding of object-modifier pairs. Through extensive evaluations, we show FRAP generates images with significantly higher prompt-image alignment to prompts from complex datasets, while having a lower average latency compared to recent latent code optimization methods, e.g., 4 seconds faster than D&B on the COCO-Subject dataset. Furthermore, through visual comparisons and evaluation on the CLIP-IQA-Real metric, we show that FRAP not only improves prompt-image alignment but also generates more authentic images with realistic appearances. We also explore combining FRAP with prompt rewriting LLM to recover their degraded prompt-image alignment, where we observe improvements in both prompt-image alignment and image quality.

Out-of-distribution (OOD) generalization is a critical ability for deep learning models in many real-world scenarios including healthcare and autonomous vehicles. Recently, different techniques have been proposed to improve OOD generalization. Among these methods, gradient-based regularizers have shown promising performance compared with other competitors. Despite this success, our understanding of the role of Hessian and gradient alignment in domain generalization is still limited. To address this shortcoming, we analyze the role of the classifier's head Hessian matrix and gradient in domain generalization using recent OOD theory of transferability. Theoretically, we show that spectral norm between the classifier's head Hessian matrices across domains is an upper bound of the transfer measure, a notion of distance between target and source domains. Furthermore, we analyze all the attributes that get aligned when we encourage similarity between Hessians and gradients. Our analysis explains the success of many regularizers like CORAL, IRM, V-REx, Fish, IGA, and Fishr as they regularize part of the classifier's head Hessian and/or gradient. Finally, we propose two simple yet effective methods to match the classifier's head Hessians and gradients in an efficient way, based on the Hessian Gradient Product (HGP) and Hutchinson's method (Hutchinson), and without directly calculating Hessians. We validate the OOD generalization ability of proposed methods in different scenarios, including transferability, severe correlation shift, label shift and diversity shift. Our results show that Hessian alignment methods achieve promising performance on various OOD benchmarks. The code is available at https://github.com/huawei-noah/Federated-Learning/tree/main/HessianAlignment.

Unconditional flow-matching trains diffusion models to transport samples from a source distribution to a target distribution by enforcing that the flows between sample pairs are unique. However, in conditional settings (e.g., class-conditioned models), this uniqueness is no longer guaranteed--flows from different conditions may overlap, leading to more ambiguous generations. We introduce Contrastive Flow Matching, an extension to the flow matching objective that explicitly enforces uniqueness across all conditional flows, enhancing condition separation. Our approach adds a contrastive objective that maximizes dissimilarities between predicted flows from arbitrary sample pairs. We validate Contrastive Flow Matching by conducting extensive experiments across varying model architectures on both class-conditioned (ImageNet-1k) and text-to-image (CC3M) benchmarks. Notably, we find that training models with Contrastive Flow Matching (1) improves training speed by a factor of up to 9x, (2) requires up to 5x fewer de-noising steps and (3) lowers FID by up to 8.9 compared to training the same models with flow matching. We release our code at: https://github.com/gstoica27/DeltaFM.git.

In this work, we propose a novel method (GLOV) enabling Large Language Models (LLMs) to act as implicit Optimizers for Vision-Langugage Models (VLMs) to enhance downstream vision tasks. Our GLOV meta-prompts an LLM with the downstream task description, querying it for suitable VLM prompts (e.g., for zero-shot classification with CLIP). These prompts are ranked according to a purity measure obtained through a fitness function. In each respective optimization step, the ranked prompts are fed as in-context examples (with their accuracies) to equip the LLM with the knowledge of the type of text prompts preferred by the downstream VLM. Furthermore, we also explicitly steer the LLM generation process in each optimization step by specifically adding an offset difference vector of the embeddings from the positive and negative solutions found by the LLM, in previous optimization steps, to the intermediate layer of the network for the next generation step. This offset vector steers the LLM generation toward the type of language preferred by the downstream VLM, resulting in enhanced performance on the downstream vision tasks. We comprehensively evaluate our GLOV on 16 diverse datasets using two families of VLMs, i.e., dual-encoder (e.g., CLIP) and encoder-decoder (e.g., LLaVa) models -- showing that the discovered solutions can enhance the recognition performance by up to 15.0% and 57.5% (3.8% and 21.6% on average) for these models.

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

We consider the problem of customizing text-to-image diffusion models with user-supplied reference images. Given new prompts, the existing methods can capture the key concept from the reference images but fail to align the generated image with the prompt. In this work, we seek to address this key issue by proposing new methods that can easily be used in conjunction with existing customization methods that optimize the embeddings/weights at various intermediate stages of the text encoding process. The first contribution of this paper is a dissection of the various stages of the text encoding process leading up to the conditioning vector for text-to-image models. We take a holistic view of existing customization methods and notice that key and value outputs from this process differs substantially from their corresponding baseline (non-customized) models (e.g., baseline stable diffusion). While this difference does not impact the concept being customized, it leads to other parts of the generated image not being aligned with the prompt. Further, we also observe that these keys and values allow independent control various aspects of the final generation, enabling semantic manipulation of the output. Taken together, the features spanning these keys and values, serve as the basis for our next contribution where we fix the aforementioned issues with existing methods. We propose a new post-processing algorithm, AlignIT, that infuses the keys and values for the concept of interest while ensuring the keys and values for all other tokens in the input prompt are unchanged. Our proposed method can be plugged in directly to existing customization methods, leading to a substantial performance improvement in the alignment of the final result with the input prompt while retaining the customization quality.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Neural architecture search (NAS) is a hard computationally expensive optimization problem with a discrete, vast, and spiky search space. One of the key research efforts dedicated to this space focuses on accelerating NAS via certain proxy evaluations of neural architectures. Different from the prevalent predictor-based methods using surrogate models and differentiable architecture search via supernetworks, we propose an optimization proxy to streamline the NAS as an end-to-end optimization framework, named OptiProxy-NAS. In particular, using a proxy representation, the NAS space is reformulated to be continuous, differentiable, and smooth. Thereby, any differentiable optimization method can be applied to the gradient-based search of the relaxed architecture parameters. Our comprehensive experiments on 12 NAS tasks of 4 search spaces across three different domains including computer vision, natural language processing, and resource-constrained NAS fully demonstrate the superior search results and efficiency. Further experiments on low-fidelity scenarios verify the flexibility.

Existing graph matching methods typically assume that there are similar structures between graphs and they are matchable. However, these assumptions do not align with real-world applications. This work addresses a more realistic scenario where graphs exhibit diverse modes, requiring graph grouping before or along with matching, a task termed mixture graph matching and clustering. We introduce Minorize-Maximization Matching and Clustering (M3C), a learning-free algorithm that guarantees theoretical convergence through the Minorize-Maximization framework and offers enhanced flexibility via relaxed clustering. Building on M3C, we develop UM3C, an unsupervised model that incorporates novel edge-wise affinity learning and pseudo label selection. Extensive experimental results on public benchmarks demonstrate that our method outperforms state-of-the-art graph matching and mixture graph matching and clustering approaches in both accuracy and efficiency. Source code will be made publicly available.

Thanks to the large pre-trained vision-language models (VLMs) like CLIP, we can craft a zero-shot classifier by "prompt", e.g., the confidence score of an image being "[CLASS]" can be obtained by using the VLM provided similarity measure between the image and the prompt sentence "a photo of a [CLASS]". Therefore, prompt shows a great potential for fast adaptation of VLMs to downstream tasks if we fine-tune the prompt-based similarity measure. However, we find a common failure that improper fine-tuning may not only undermine the prompt's inherent prediction for the task-related classes, but also for other classes in the VLM vocabulary. Existing methods still address this problem by using traditional anti-overfitting techniques such as early stopping and data augmentation, which lack a principled solution specific to prompt. We present Prompt-aligned Gradient, dubbed ProGrad, to prevent prompt tuning from forgetting the the general knowledge learned from VLMs. In particular, ProGrad only updates the prompt whose gradient is aligned (or non-conflicting) to the "general direction", which is represented as the gradient of the KL loss of the pre-defined prompt prediction. Extensive experiments demonstrate the stronger few-shot generalization ability of ProGrad over state-of-the-art prompt tuning methods. Codes are available at https://github.com/BeierZhu/Prompt-align.

Large Language Models (LLMs) have shown remarkable success, and their multimodal expansions (MLLMs) further unlock capabilities spanning images, videos, and other modalities beyond text. However, despite this shift, prompt optimization approaches, designed to reduce the burden of manual prompt crafting while maximizing performance, remain confined to text, ultimately limiting the full potential of MLLMs. Motivated by this gap, we introduce the new problem of multimodal prompt optimization, which expands the prior definition of prompt optimization to the multimodal space defined by the pairs of textual and non-textual prompts. To tackle this problem, we then propose the Multimodal Prompt Optimizer (MPO), a unified framework that not only performs the joint optimization of multimodal prompts through alignment-preserving updates but also guides the selection process of candidate prompts by leveraging earlier evaluations as priors in a Bayesian-based selection strategy. Through extensive experiments across diverse modalities that go beyond text, such as images, videos, and even molecules, we demonstrate that MPO outperforms leading text-only optimization methods, establishing multimodal prompt optimization as a crucial step to realizing the potential of MLLMs.

D-Adaptation is an approach to automatically setting the learning rate which asymptotically achieves the optimal rate of convergence for minimizing convex Lipschitz functions, with no back-tracking or line searches, and no additional function value or gradient evaluations per step. Our approach is the first hyper-parameter free method for this class without additional multiplicative log factors in the convergence rate. We present extensive experiments for SGD and Adam variants of our method, where the method automatically matches hand-tuned learning rates across more than a dozen diverse machine learning problems, including large-scale vision and language problems. An open-source implementation is available.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

Recent advancements in flow-matching have enabled high-quality text-to-image generation. However, the deterministic nature of flow-matching models makes them poorly suited for reinforcement learning, a key tool for improving image quality and human alignment. Prior work has introduced stochasticity by perturbing latents with random noise, but such perturbations are inefficient and unstable. We propose Smart-GRPO, the first method to optimize noise perturbations for reinforcement learning in flow-matching models. Smart-GRPO employs an iterative search strategy that decodes candidate perturbations, evaluates them with a reward function, and refines the noise distribution toward higher-reward regions. Experiments demonstrate that Smart-GRPO improves both reward optimization and visual quality compared to baseline methods. Our results suggest a practical path toward reinforcement learning in flow-matching frameworks, bridging the gap between efficient training and human-aligned generation.

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods still face the challenges of expensive computing and a large number of function evaluations of off-the-shelf solvers in the pixel space. Furthermore, although latent-based generative methods have shown great success in recent years, this particular model type remains underexplored in this area. In this work, we propose to apply flow matching in the latent spaces of pretrained autoencoders, which offers improved computational efficiency and scalability for high-resolution image synthesis. This enables flow-matching training on constrained computational resources while maintaining their quality and flexibility. Additionally, our work stands as a pioneering contribution in the integration of various conditions into flow matching for conditional generation tasks, including label-conditioned image generation, image inpainting, and semantic-to-image generation. Through extensive experiments, our approach demonstrates its effectiveness in both quantitative and qualitative results on various datasets, such as CelebA-HQ, FFHQ, LSUN Church & Bedroom, and ImageNet. We also provide a theoretical control of the Wasserstein-2 distance between the reconstructed latent flow distribution and true data distribution, showing it is upper-bounded by the latent flow matching objective. Our code will be available at https://github.com/VinAIResearch/LFM.git.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

Current state-of-the-art solutions for motion capture from a single camera are optimization driven: they optimize the parameters of a 3D human model so that its re-projection matches measurements in the video (e.g. person segmentation, optical flow, keypoint detections etc.). Optimization models are susceptible to local minima. This has been the bottleneck that forced using clean green-screen like backgrounds at capture time, manual initialization, or switching to multiple cameras as input resource. In this work, we propose a learning based motion capture model for single camera input. Instead of optimizing mesh and skeleton parameters directly, our model optimizes neural network weights that predict 3D shape and skeleton configurations given a monocular RGB video. Our model is trained using a combination of strong supervision from synthetic data, and self-supervision from differentiable rendering of (a) skeletal keypoints, (b) dense 3D mesh motion, and (c) human-background segmentation, in an end-to-end framework. Empirically we show our model combines the best of both worlds of supervised learning and test-time optimization: supervised learning initializes the model parameters in the right regime, ensuring good pose and surface initialization at test time, without manual effort. Self-supervision by back-propagating through differentiable rendering allows (unsupervised) adaptation of the model to the test data, and offers much tighter fit than a pretrained fixed model. We show that the proposed model improves with experience and converges to low-error solutions where previous optimization methods fail.

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

We propose a new method for learning the structure of convolutional neural networks (CNNs) that is more efficient than recent state-of-the-art methods based on reinforcement learning and evolutionary algorithms. Our approach uses a sequential model-based optimization (SMBO) strategy, in which we search for structures in order of increasing complexity, while simultaneously learning a surrogate model to guide the search through structure space. Direct comparison under the same search space shows that our method is up to 5 times more efficient than the RL method of Zoph et al. (2018) in terms of number of models evaluated, and 8 times faster in terms of total compute. The structures we discover in this way achieve state of the art classification accuracies on CIFAR-10 and ImageNet.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

Aligned text-image encoders such as CLIP have become the de facto model for vision-language tasks. Furthermore, modality-specific encoders achieve impressive performances in their respective domains. This raises a central question: does an alignment exist between uni-modal vision and language encoders since they fundamentally represent the same physical world? Analyzing the latent spaces structure of vision and language models on image-caption benchmarks using the Centered Kernel Alignment (CKA), we find that the representation spaces of unaligned and aligned encoders are semantically similar. In the absence of statistical similarity in aligned encoders like CLIP, we show that a possible matching of unaligned encoders exists without any training. We frame this as a seeded graph-matching problem exploiting the semantic similarity between graphs and propose two methods - a Fast Quadratic Assignment Problem optimization, and a novel localized CKA metric-based matching/retrieval. We demonstrate the effectiveness of this on several downstream tasks including cross-lingual, cross-domain caption matching and image classification. Code available at github.com/mayug/0-shot-llm-vision.

Contrastive Language and Image Pairing (CLIP), a transformative method in multimedia retrieval, typically trains two neural networks concurrently to generate joint embeddings for text and image pairs. However, when applied directly, these models often struggle to differentiate between visually distinct images that have similar captions, resulting in suboptimal performance for image-based similarity searches. This paper addresses the challenge of optimizing CLIP models for various image-based similarity search scenarios, while maintaining their effectiveness in text-based search tasks such as text-to-image retrieval and zero-shot classification. We propose and evaluate two novel methods aimed at refining the retrieval capabilities of CLIP without compromising the alignment between text and image embeddings. The first method involves a sequential fine-tuning process: initially optimizing the image encoder for more precise image retrieval and subsequently realigning the text encoder to these optimized image embeddings. The second approach integrates pseudo-captions during the retrieval-optimization phase to foster direct alignment within the embedding space. Through comprehensive experiments, we demonstrate that these methods enhance CLIP's performance on various benchmarks, including image retrieval, k-NN classification, and zero-shot text-based classification, while maintaining robustness in text-to-image retrieval. Our optimized models permit maintaining a single embedding per image, significantly simplifying the infrastructure needed for large-scale multi-modal similarity search systems.

We introduce two complementary techniques for efficient adaptive optimization that reduce memory requirements while accelerating training of large-scale neural networks. The first technique, Subset-Norm adaptive step size, generalizes AdaGrad-Norm and AdaGrad(-Coordinate) by reducing the second moment term's memory footprint from O(d) to O(d) through step-size sharing, where d is the model size. For non-convex smooth objectives under coordinate-wise sub-gaussian gradient noise, we prove a noise-adapted high-probability convergence guarantee showing improved dimensional dependence over existing methods. Our second technique, Subspace-Momentum, reduces the momentum state's memory footprint by operating in a low-dimensional subspace while applying standard SGD in the orthogonal complement. We establish high-probability convergence rates under similar relaxed assumptions. Empirical evaluation on LLaMA models from 60M to 1B parameters demonstrates the effectiveness of our methods, where combining subset-norm with subspace-momentum achieves Adam's validation perplexity in approximately half the training tokens (6.8B vs 13.1B) while using only 20% of the Adam's optimizer-states memory footprint and requiring minimal additional hyperparameter tuning.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Image copy detection is of great importance in real-life social media. In this paper, a data-driven and local-verification (D^2LV) approach is proposed to compete for Image Similarity Challenge: Matching Track at NeurIPS'21. In D^2LV, unsupervised pre-training substitutes the commonly-used supervised one. When training, we design a set of basic and six advanced transformations, and a simple but effective baseline learns robust representation. During testing, a global-local and local-global matching strategy is proposed. The strategy performs local-verification between reference and query images. Experiments demonstrate that the proposed method is effective. The proposed approach ranks first out of 1,103 participants on the Facebook AI Image Similarity Challenge: Matching Track. The code and trained models are available at https://github.com/WangWenhao0716/ISC-Track1-Submission.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

We consider image transformation problems, where an input image is transformed into an output image. Recent methods for such problems typically train feed-forward convolutional neural networks using a per-pixel loss between the output and ground-truth images. Parallel work has shown that high-quality images can be generated by defining and optimizing perceptual loss functions based on high-level features extracted from pretrained networks. We combine the benefits of both approaches, and propose the use of perceptual loss functions for training feed-forward networks for image transformation tasks. We show results on image style transfer, where a feed-forward network is trained to solve the optimization problem proposed by Gatys et al in real-time. Compared to the optimization-based method, our network gives similar qualitative results but is three orders of magnitude faster. We also experiment with single-image super-resolution, where replacing a per-pixel loss with a perceptual loss gives visually pleasing results.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

The recent development of Large Language Models (LLMs) has been accompanied by an effervescence of novel ideas and methods to better optimize the loss of deep learning models. Claims from those methods are myriad: from faster convergence to removing reliance on certain hyperparameters. However, the diverse experimental protocols used to validate these claims make direct comparisons between methods challenging. This study presents a comprehensive evaluation of recent optimization techniques across standardized LLM pretraining scenarios, systematically varying model size, batch size, and training duration. Through careful tuning of each method, we provide guidance to practitioners on which optimizer is best suited for each scenario. For researchers, our work highlights promising directions for future optimization research. Finally, by releasing our code and making all experiments fully reproducible, we hope our efforts can help the development and rigorous benchmarking of future methods.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

Flow matching has recently emerged as a powerful alternative to diffusion models, providing a continuous-time formulation for generative modeling and representation learning. Yet, we show that this framework suffers from a fundamental instability in the low-noise regime. As noise levels approach zero, arbitrarily small perturbations in the input can induce large variations in the velocity target, causing the condition number of the learning problem to diverge. This ill-conditioning not only slows optimization but also forces the encoder to reallocate its limited Jacobian capacity toward noise directions, thereby degrading semantic representations. We provide the first theoretical analysis of this phenomenon, which we term the low-noise pathology, establishing its intrinsic link to the structure of the flow matching objective. Building on these insights, we propose Local Contrastive Flow (LCF), a hybrid training protocol that replaces direct velocity regression with contrastive feature alignment at small noise levels, while retaining standard flow matching at moderate and high noise. Empirically, LCF not only improves convergence speed but also stabilizes representation quality. Our findings highlight the critical importance of addressing low-noise pathologies to unlock the full potential of flow matching for both generation and representation learning.

Erroneous feature matches have severe impact on subsequent camera pose estimation and often require additional, time-costly measures, like RANSAC, for outlier rejection. Our method tackles this challenge by addressing feature matching and pose optimization jointly. To this end, we propose a graph attention network to predict image correspondences along with confidence weights. The resulting matches serve as weighted constraints in a differentiable pose estimation. Training feature matching with gradients from pose optimization naturally learns to down-weight outliers and boosts pose estimation on image pairs compared to SuperGlue by 6.7% on ScanNet. At the same time, it reduces the pose estimation time by over 50% and renders RANSAC iterations unnecessary. Moreover, we integrate information from multiple views by spanning the graph across multiple frames to predict the matches all at once. Multi-view matching combined with end-to-end training improves the pose estimation metrics on Matterport3D by 18.5% compared to SuperGlue.

In recent years, large-scale pre-trained diffusion models have demonstrated their outstanding capabilities in image and video generation tasks. However, existing models tend to produce visual objects commonly found in the training dataset, which diverges from user input prompts. The underlying reason behind the inaccurate generated results lies in the model's difficulty in sampling from specific intervals of the initial noise distribution corresponding to the prompt. Moreover, it is challenging to directly optimize the initial distribution, given that the diffusion process involves multiple denoising steps. In this paper, we introduce a Fine-tuning Initial Noise Distribution (FIND) framework with policy optimization, which unleashes the powerful potential of pre-trained diffusion networks by directly optimizing the initial distribution to align the generated contents with user-input prompts. To this end, we first reformulate the diffusion denoising procedure as a one-step Markov decision process and employ policy optimization to directly optimize the initial distribution. In addition, a dynamic reward calibration module is proposed to ensure training stability during optimization. Furthermore, we introduce a ratio clipping algorithm to utilize historical data for network training and prevent the optimized distribution from deviating too far from the original policy to restrain excessive optimization magnitudes. Extensive experiments demonstrate the effectiveness of our method in both text-to-image and text-to-video tasks, surpassing SOTA methods in achieving consistency between prompts and the generated content. Our method achieves 10 times faster than the SOTA approach. Our homepage is available at https://github.com/vpx-ecnu/FIND-website.

Pre-trained vision-language models, such as CLIP, show impressive zero-shot recognition ability and can be easily transferred to specific downstream tasks via prompt tuning, even with limited training data. However, existing prompt tuning methods face two main challenges: (1) In few-shot scenarios, data scarcity often leads to overfitting, making the model sensitive to changes in the input domain. (2) To mitigate overfitting, these methods typically rely on complex task-specific model architectures and sensitive hyperparameter tuning, severely restricting their general applicability. To address these issues, we propose a simpler and more general framework called GLAD (Generalizable LoRA tuning with RegulArized GraDient). We show that merely applying LoRA achieves performance in downstream tasks comparable to current state-of-the-art prompt-based methods. While LoRA is effective and easy to use, it remains susceptible to overfitting in few-shot learning scenarios. To mitigate this risk, we introduce a gradient-based regularization technique. This technique effectively steers the optimization trajectory, encouraging the model to find a more stable parameter region that is robust to variations in data distribution. Through extensive experiments conducted on 15 benchmark datasets, we demonstrate that GLAD outperforms previous tuning approaches in terms of base-to-novel class generalization, image domain generalization, and cross-dataset generalization. The code will be publicly available.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

The objective for establishing dense correspondence between paired images consists of two terms: a data term and a prior term. While conventional techniques focused on defining hand-designed prior terms, which are difficult to formulate, recent approaches have focused on learning the data term with deep neural networks without explicitly modeling the prior, assuming that the model itself has the capacity to learn an optimal prior from a large-scale dataset. The performance improvement was obvious, however, they often fail to address inherent ambiguities of matching, such as textureless regions, repetitive patterns, and large displacements. To address this, we propose DiffMatch, a novel conditional diffusion-based framework designed to explicitly model both the data and prior terms. Unlike previous approaches, this is accomplished by leveraging a conditional denoising diffusion model. DiffMatch consists of two main components: conditional denoising diffusion module and cost injection module. We stabilize the training process and reduce memory usage with a stage-wise training strategy. Furthermore, to boost performance, we introduce an inference technique that finds a better path to the accurate matching field. Our experimental results demonstrate significant performance improvements of our method over existing approaches, and the ablation studies validate our design choices along with the effectiveness of each component. Project page is available at https://ku-cvlab.github.io/DiffMatch/.

Efficient performance estimation of architectures drawn from large search spaces is essential to Neural Architecture Search. One-Shot methods tackle this challenge by training one supernet to approximate the performance of every architecture in the search space via weight-sharing, thereby drastically reducing the search cost. However, due to coupled optimization between child architectures caused by weight-sharing, One-Shot supernet's performance estimation could be inaccurate, leading to degraded search outcomes. To address this issue, Few-Shot NAS reduces the level of weight-sharing by splitting the One-Shot supernet into multiple separated sub-supernets via edge-wise (layer-wise) exhaustive partitioning. Since each partition of the supernet is not equally important, it necessitates the design of a more effective splitting criterion. In this work, we propose a gradient matching score (GM) that leverages gradient information at the shared weight for making informed splitting decisions. Intuitively, gradients from different child models can be used to identify whether they agree on how to update the shared modules, and subsequently to decide if they should share the same weight. Compared with exhaustive partitioning, the proposed criterion significantly reduces the branching factor per edge. This allows us to split more edges (layers) for a given budget, resulting in substantially improved performance as NAS search spaces usually include dozens of edges (layers). Extensive empirical evaluations of the proposed method on a wide range of search spaces (NASBench-201, DARTS, MobileNet Space), datasets (cifar10, cifar100, ImageNet) and search algorithms (DARTS, SNAS, RSPS, ProxylessNAS, OFA) demonstrate that it significantly outperforms its Few-Shot counterparts while surpassing previous comparable methods in terms of the accuracy of derived architectures.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

The size of vision models has grown exponentially over the last few years, especially after the emergence of Vision Transformer. This has motivated the development of parameter-efficient tuning methods, such as learning adapter layers or visual prompt tokens, which allow a tiny portion of model parameters to be trained whereas the vast majority obtained from pre-training are frozen. However, designing a proper tuning method is non-trivial: one might need to try out a lengthy list of design choices, not to mention that each downstream dataset often requires custom designs. In this paper, we view the existing parameter-efficient tuning methods as "prompt modules" and propose Neural prOmpt seArcH (NOAH), a novel approach that learns, for large vision models, the optimal design of prompt modules through a neural architecture search algorithm, specifically for each downstream dataset. By conducting extensive experiments on over 20 vision datasets, we demonstrate that NOAH (i) is superior to individual prompt modules, (ii) has a good few-shot learning ability, and (iii) is domain-generalizable. The code and models are available at https://github.com/Davidzhangyuanhan/NOAH.

This work examines the challenges of training neural networks using vector quantization using straight-through estimation. We find that a primary cause of training instability is the discrepancy between the model embedding and the code-vector distribution. We identify the factors that contribute to this issue, including the codebook gradient sparsity and the asymmetric nature of the commitment loss, which leads to misaligned code-vector assignments. We propose to address this issue via affine re-parameterization of the code vectors. Additionally, we introduce an alternating optimization to reduce the gradient error introduced by the straight-through estimation. Moreover, we propose an improvement to the commitment loss to ensure better alignment between the codebook representation and the model embedding. These optimization methods improve the mathematical approximation of the straight-through estimation and, ultimately, the model performance. We demonstrate the effectiveness of our methods on several common model architectures, such as AlexNet, ResNet, and ViT, across various tasks, including image classification and generative modeling.

Aligning Large Language Models (LLMs) to human preferences through preference optimization has been crucial but labor-intensive, necessitating for each prompt a comparison of both a chosen and a rejected text completion by evaluators. Recently, Kahneman-Tversky Optimization (KTO) has demonstrated that LLMs can be aligned using merely binary "thumbs-up" or "thumbs-down" signals on each prompt-completion pair. In this paper, we present theoretical foundations to explain the successful alignment achieved through these binary signals. Our analysis uncovers a new perspective: optimizing a binary classifier, whose logit is a reward, implicitly induces minimizing the Direct Preference Optimization (DPO) loss. In the process of this discovery, we identified two techniques for effective alignment: reward shift and underlying distribution matching. Consequently, we propose a new algorithm, Binary Classifier Optimization, that integrates the techniques. We validate our methodology in two settings: first, on a paired preference dataset, where our method performs on par with DPO and KTO; and second, on binary signal datasets simulating real-world conditions with divergent underlying distributions between thumbs-up and thumbs-down data. Our model consistently demonstrates effective and robust alignment across two base LLMs and three different binary signal datasets, showcasing the strength of our approach to learning from binary feedback.

We present Direct Reward Fine-Tuning (DRaFT), a simple and effective method for fine-tuning diffusion models to maximize differentiable reward functions, such as scores from human preference models. We first show that it is possible to backpropagate the reward function gradient through the full sampling procedure, and that doing so achieves strong performance on a variety of rewards, outperforming reinforcement learning-based approaches. We then propose more efficient variants of DRaFT: DRaFT-K, which truncates backpropagation to only the last K steps of sampling, and DRaFT-LV, which obtains lower-variance gradient estimates for the case when K=1. We show that our methods work well for a variety of reward functions and can be used to substantially improve the aesthetic quality of images generated by Stable Diffusion 1.4. Finally, we draw connections between our approach and prior work, providing a unifying perspective on the design space of gradient-based fine-tuning algorithms.

We present AI-SARAH, a practical variant of SARAH. As a variant of SARAH, this algorithm employs the stochastic recursive gradient yet adjusts step-size based on local geometry. AI-SARAH implicitly computes step-size and efficiently estimates local Lipschitz smoothness of stochastic functions. It is fully adaptive, tune-free, straightforward to implement, and computationally efficient. We provide technical insight and intuitive illustrations on its design and convergence. We conduct extensive empirical analysis and demonstrate its strong performance compared with its classical counterparts and other state-of-the-art first-order methods in solving convex machine learning problems.

It is widely believed that a neural network can fit a training set containing at least as many samples as it has parameters, underpinning notions of overparameterized and underparameterized models. In practice, however, we only find solutions accessible via our training procedure, including the optimizer and regularizers, limiting flexibility. Moreover, the exact parameterization of the function class, built into an architecture, shapes its loss surface and impacts the minima we find. In this work, we examine the ability of neural networks to fit data in practice. Our findings indicate that: (1) standard optimizers find minima where the model can only fit training sets with significantly fewer samples than it has parameters; (2) convolutional networks are more parameter-efficient than MLPs and ViTs, even on randomly labeled data; (3) while stochastic training is thought to have a regularizing effect, SGD actually finds minima that fit more training data than full-batch gradient descent; (4) the difference in capacity to fit correctly labeled and incorrectly labeled samples can be predictive of generalization; (5) ReLU activation functions result in finding minima that fit more data despite being designed to avoid vanishing and exploding gradients in deep architectures.

Direct image-to-image alignment that relies on the optimization of photometric error metrics suffers from limited convergence range and sensitivity to lighting conditions. Deep learning approaches has been applied to address this problem by learning better feature representations using convolutional neural networks, yet still require a good initialization. In this paper, we demonstrate that the inaccurate numerical Jacobian limits the convergence range which could be improved greatly using learned approaches. Based on this observation, we propose a novel end-to-end network, RegNet, to learn the optimization of image-to-image pose registration. By jointly learning feature representation for each pixel and partial derivatives that replace handcrafted ones (e.g., numerical differentiation) in the optimization step, the neural network facilitates end-to-end optimization. The energy landscape is constrained on both the feature representation and the learned Jacobian, hence providing more flexibility for the optimization as a consequence leads to more robust and faster convergence. In a series of experiments, including a broad ablation study, we demonstrate that RegNet is able to converge for large-baseline image pairs with fewer iterations.

While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.

The 2021 Image Similarity Challenge introduced a dataset to serve as a new benchmark to evaluate recent image copy detection methods. There were 200 participants to the competition. This paper presents a quantitative and qualitative analysis of the top submissions. It appears that the most difficult image transformations involve either severe image crops or hiding into unrelated images, combined with local pixel perturbations. The key algorithmic elements in the winning submissions are: training on strong augmentations, self-supervised learning, score normalization, explicit overlay detection, and global descriptor matching followed by pairwise image comparison.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Diffusion models have achieved significant progress in both image and video generation while still suffering from huge computation costs. As an effective solution, flow matching aims to reflow the diffusion process of diffusion models into a straight line for a few-step and even one-step generation. However, in this paper, we suggest that the original training pipeline of flow matching is not optimal and introduce two techniques to improve it. Firstly, we introduce progressive reflow, which progressively reflows the diffusion models in local timesteps until the whole diffusion progresses, reducing the difficulty of flow matching. Second, we introduce aligned v-prediction, which highlights the importance of direction matching in flow matching over magnitude matching. Experimental results on SDv1.5 and SDXL demonstrate the effectiveness of our method, for example, conducting on SDv1.5 achieves an FID of 10.70 on MSCOCO2014 validation set with only 4 sampling steps, close to our teacher model (32 DDIM steps, FID = 10.05).

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

Dense feature matching is an important computer vision task that involves estimating all correspondences between two images of a 3D scene. In this paper, we revisit robust losses for matching from a Markov chain perspective, yielding theoretical insights and large gains in performance. We begin by constructing a unifying formulation of matching as a Markov chain, based on which we identify two key stages which we argue should be decoupled for matching. The first is the coarse stage, where the estimated result needs to be globally consistent. The second is the refinement stage, where the model needs precise localization capabilities. Inspired by the insight that these stages concern distinct issues, we propose a coarse matcher following the regression-by-classification paradigm that provides excellent globally consistent, albeit not exactly localized, matches. This is followed by a local feature refinement stage using well-motivated robust regression losses, yielding extremely precise matches. Our proposed approach, which we call RoMa, achieves significant improvements compared to the state-of-the-art. Code is available at https://github.com/Parskatt/RoMa

This paper explores how theory can guide and enhance practical algorithms, using Low-Rank Adaptation (LoRA, Hu et al. 2022) in large language models as a case study. We rigorously prove that, under gradient descent, LoRA adapters align with specific singular subspaces of the one-step full fine-tuning gradient. This result suggests that, by properly initializing the adapters using the one-step full gradient, subspace alignment can be achieved immediately and applicable to both linear and nonlinear models. Building on our theory, we propose a theory-driven algorithm, LoRA-One, where the linear convergence (as well as generalization) is built and incorporating preconditioners theoretically helps mitigate the effects of ill-conditioning. Besides, our theory reveals connections between LoRA-One and other gradient-alignment-based methods, helping to clarify misconceptions in the design of such algorithms. LoRA-One achieves significant empirical improvements over LoRA and its variants across benchmarks in natural language understanding, mathematical reasoning, and code generation. Code is available at: https://github.com/YuanheZ/LoRA-One.

This paper formalizes an emerging learning paradigm that uses a trained model as a reference to guide and enhance the training of a target model through strategic data selection or weighting, named model steering. While ad-hoc methods have been used in various contexts, including the training of large foundation models, its underlying principles remain insufficiently understood, leading to sub-optimal performance. In this work, we propose a theory-driven framework for model steering called DRRho risk minimization, which is rooted in Distributionally Robust Optimization (DRO). Through a generalization analysis, we provide theoretical insights into why this approach improves generalization and data efficiency compared to training without a reference model. To the best of our knowledge, this is the first time such theoretical insights are provided for the new learning paradigm, which significantly enhance our understanding and practice of model steering. Building on these insights and the connection between contrastive learning and DRO, we introduce a novel method for Contrastive Language-Image Pretraining (CLIP) with a reference model, termed DRRho-CLIP. Extensive experiments validate the theoretical insights, reveal a superior scaling law compared to CLIP without a reference model, and demonstrate its strength over existing heuristic approaches.

Text-to-image generation has advanced rapidly, yet aligning complex textual prompts with generated visuals remains challenging, especially with intricate object relationships and fine-grained details. This paper introduces Fast Prompt Alignment (FPA), a prompt optimization framework that leverages a one-pass approach, enhancing text-to-image alignment efficiency without the iterative overhead typical of current methods like OPT2I. FPA uses large language models (LLMs) for single-iteration prompt paraphrasing, followed by fine-tuning or in-context learning with optimized prompts to enable real-time inference, reducing computational demands while preserving alignment fidelity. Extensive evaluations on the COCO Captions and PartiPrompts datasets demonstrate that FPA achieves competitive text-image alignment scores at a fraction of the processing time, as validated through both automated metrics (TIFA, VQA) and human evaluation. A human study with expert annotators further reveals a strong correlation between human alignment judgments and automated scores, underscoring the robustness of FPA's improvements. The proposed method showcases a scalable, efficient alternative to iterative prompt optimization, enabling broader applicability in real-time, high-demand settings. The codebase is provided to facilitate further research: https://github.com/tiktok/fast_prompt_alignment

Perceptual optimization is primarily driven by the fidelity objective, which enforces both semantic consistency and overall visual realism, while the adversarial objective provides complementary refinement by enhancing perceptual sharpness and fine-grained detail. Despite their central role, the correlation between their effectiveness as optimization objectives and their capability as image quality assessment (IQA) metrics remains underexplored. In this work, we conduct a systematic analysis and reveal an unanticipated asymmetry between perceptual optimization and assessment: fidelity metrics that excel in IQA are not necessarily effective for perceptual optimization, with this misalignment emerging more distinctly under adversarial training. In addition, while discriminators effectively suppress artifacts during optimization, their learned representations offer only limited benefits when reused as backbone initializations for IQA models. Beyond this asymmetry, our findings further demonstrate that discriminator design plays a decisive role in shaping optimization, with patch-level and convolutional architectures providing more faithful detail reconstruction than vanilla or Transformer-based alternatives. These insights advance the understanding of loss function design and its connection to IQA transferability, paving the way for more principled approaches to perceptual optimization.

We study the potential of using large language models (LLMs) as an interactive optimizer for solving maximization problems in a text space using natural language and numerical feedback. Inspired by the classical optimization literature, we classify the natural language feedback into directional and non-directional, where the former is a generalization of the first-order feedback to the natural language space. We find that LLMs are especially capable of optimization when they are provided with {directional feedback}. Based on this insight, we design a new LLM-based optimizer that synthesizes directional feedback from the historical optimization trace to achieve reliable improvement over iterations. Empirically, we show our LLM-based optimizer is more stable and efficient in solving optimization problems, from maximizing mathematical functions to optimizing prompts for writing poems, compared with existing techniques.

This paper establishes a mathematical foundation for the Adam optimizer, elucidating its connection to natural gradient descent through Riemannian and information geometry. We rigorously analyze the diagonal empirical Fisher information matrix (FIM) in Adam, clarifying all detailed approximations and advocating for the use of log probability functions as loss, which should be based on discrete distributions, due to the limitations of empirical FIM. Our analysis uncovers flaws in the original Adam algorithm, leading to proposed corrections such as enhanced momentum calculations, adjusted bias corrections, and gradient clipping. We refine the weight decay term based on our theoretical framework. Our modified algorithm, Fisher Adam (FAdam), demonstrates superior performance across diverse domains including LLM, ASR, and VQ-VAE, achieving state-of-the-art results in ASR.

The lightweight "local-match-global" matching introduced by SRe2L successfully creates a distilled dataset with comprehensive information on the full 224x224 ImageNet-1k. However, this one-sided approach is limited to a particular backbone, layer, and statistics, which limits the improvement of the generalization of a distilled dataset. We suggest that sufficient and various "local-match-global" matching are more precise and effective than a single one and has the ability to create a distilled dataset with richer information and better generalization. We call this perspective "generalized matching" and propose Generalized Various Backbone and Statistical Matching (G-VBSM) in this work, which aims to create a synthetic dataset with densities, ensuring consistency with the complete dataset across various backbones, layers, and statistics. As experimentally demonstrated, G-VBSM is the first algorithm to obtain strong performance across both small-scale and large-scale datasets. Specifically, G-VBSM achieves a performance of 38.7% on CIFAR-100 with 128-width ConvNet, 47.6% on Tiny-ImageNet with ResNet18, and 31.4% on the full 224x224 ImageNet-1k with ResNet18, under images per class (IPC) 10, 50, and 10, respectively. These results surpass all SOTA methods by margins of 3.9%, 6.5%, and 10.1%, respectively.

Contrastive learning typically matches pairs of related views among a number of unrelated negative views. Views can be generated (e.g. by augmentations) or be observed. We investigate matching when there are more than two related views which we call poly-view tasks, and derive new representation learning objectives using information maximization and sufficient statistics. We show that with unlimited computation, one should maximize the number of related views, and with a fixed compute budget, it is beneficial to decrease the number of unique samples whilst increasing the number of views of those samples. In particular, poly-view contrastive models trained for 128 epochs with batch size 256 outperform SimCLR trained for 1024 epochs at batch size 4096 on ImageNet1k, challenging the belief that contrastive models require large batch sizes and many training epochs.

Modern language models often have open weights but closed training data. We formalize the problem of data approximation from model weights and propose several baselines and metrics. We develop a gradient-based approach that selects the highest-matching data from a large public text corpus and show its effectiveness at recovering useful data given only weights of the original and finetuned models. Even when none of the true training data is known, our method is able to locate a small subset of public Web documents can be used to train a model to close to the original model performance given models trained for both classification and supervised-finetuning. On the AG News classification task, our method improves performance from 65% (using randomly selected data) to 80%, approaching the expert benchmark of 88%. When applied to a model trained with SFT on MSMARCO web documents, our method reduces perplexity from 3.3 to 2.3, compared to an expert LLAMA model's perplexity of 2.0.

Scene flow estimation is a foundational task for many robotic applications, including robust dynamic object detection, automatic labeling, and sensor synchronization. Two types of approaches to the problem have evolved: 1) Supervised and 2) optimization-based methods. Supervised methods are fast during inference and achieve high-quality results, however, they are limited by the need for large amounts of labeled training data and are susceptible to domain gaps. In contrast, unsupervised test-time optimization methods do not face the problem of domain gaps but usually suffer from substantial runtime, exhibit artifacts, or fail to converge to the right solution. In this work, we mitigate several limitations of existing optimization-based methods. To this end, we 1) introduce a simple voxel grid-based model that improves over the standard MLP-based formulation in multiple dimensions and 2) introduce a new multiframe loss formulation. 3) We combine both contributions in our new method, termed Floxels. On the Argoverse 2 benchmark, Floxels is surpassed only by EulerFlow among unsupervised methods while achieving comparable performance at a fraction of the computational cost. Floxels achieves a massive speedup of more than ~60 - 140x over EulerFlow, reducing the runtime from a day to 10 minutes per sequence. Over the faster but low-quality baseline, NSFP, Floxels achieves a speedup of ~14x.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

We derive a simple and model-independent formula for the change in the generalization gap due to a gradient descent update. We then compare the change in the test error for stochastic gradient descent to the change in test error from an equivalent number of gradient descent updates and show explicitly that stochastic gradient descent acts to regularize generalization error by decorrelating nearby updates. These calculations depends on the details of the model only through the mean and covariance of the gradient distribution, which may be readily measured for particular models of interest. We discuss further improvements to these calculations and comment on possible implications for stochastic optimization.

Vision-language models (VLMs) have made significant progress in image classification by training with large-scale paired image-text data. Their performances largely depend on the prompt quality. While recent methods show that visual descriptions generated by large language models (LLMs) enhance the generalization of VLMs, class-specific prompts may be inaccurate or lack discrimination due to the hallucination in LLMs. In this paper, we aim to find visually discriminative prompts for fine-grained categories with minimal supervision and no human-in-the-loop. An evolution-based algorithm is proposed to progressively optimize language prompts from task-specific templates to class-specific descriptions. Unlike optimizing templates, the search space shows an explosion in class-specific candidate prompts. This increases prompt generation costs, iterative times, and the overfitting problem. To this end, we first introduce several simple yet effective edit-based and evolution-based operations to generate diverse candidate prompts by one-time query of LLMs. Then, two sampling strategies are proposed to find a better initial search point and reduce traversed categories, saving iteration costs. Moreover, we apply a novel fitness score with entropy constraints to mitigate overfitting. In a challenging one-shot image classification setting, our method outperforms existing textual prompt-based methods and improves LLM-generated description methods across 13 datasets. Meanwhile, we demonstrate that our optimal prompts improve adapter-based methods and transfer effectively across different backbones.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

This report is a reproducibility study of the paper "CDUL: CLIP-Driven Unsupervised Learning for Multi-Label Image Classification" (Abdelfattah et al, ICCV 2023). Our report makes the following contributions: (1) We provide a reproducible, well commented and open-sourced code implementation for the entire method specified in the original paper. (2) We try to verify the effectiveness of the novel aggregation strategy which uses the CLIP model to initialize the pseudo labels for the subsequent unsupervised multi-label image classification task. (3) We try to verify the effectiveness of the gradient-alignment training method specified in the original paper, which is used to update the network parameters and pseudo labels. The code can be found at https://github.com/cs-mshah/CDUL

Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives has shown promise, it suffers from "reward hacking" and may not generalize well to unseen prompt distributions. In this work, we propose Reward-based Noise Optimization (ReNO), a novel approach that enhances T2I models at inference by optimizing the initial noise based on the signal from one or multiple human preference reward models. Remarkably, solving this optimization problem with gradient ascent for 50 iterations yields impressive results on four different one-step models across two competitive benchmarks, T2I-CompBench and GenEval. Within a computational budget of 20-50 seconds, ReNO-enhanced one-step models consistently surpass the performance of all current open-source Text-to-Image models. Extensive user studies demonstrate that our model is preferred nearly twice as often compared to the popular SDXL model and is on par with the proprietary Stable Diffusion 3 with 8B parameters. Moreover, given the same computational resources, a ReNO-optimized one-step model outperforms widely-used open-source models such as SDXL and PixArt-alpha, highlighting the efficiency and effectiveness of ReNO in enhancing T2I model performance at inference time. Code is available at https://github.com/ExplainableML/ReNO.

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise. Injective Flows fix this by jointly learning a manifold and the distribution on it. So far, they have been limited by restrictive architectures and/or high computational cost. We lift both constraints by a new efficient estimator for the maximum likelihood loss, compatible with free-form bottleneck architectures. We further show that naively learning both the data manifold and the distribution on it can lead to divergent solutions, and use this insight to motivate a stable maximum likelihood training objective. We perform extensive experiments on toy, tabular and image data, demonstrating the competitive performance of the resulting model.

We have made significant progress towards building foundational video diffusion models. As these models are trained using large-scale unsupervised data, it has become crucial to adapt these models to specific downstream tasks. Adapting these models via supervised fine-tuning requires collecting target datasets of videos, which is challenging and tedious. In this work, we utilize pre-trained reward models that are learned via preferences on top of powerful vision discriminative models to adapt video diffusion models. These models contain dense gradient information with respect to generated RGB pixels, which is critical to efficient learning in complex search spaces, such as videos. We show that backpropagating gradients from these reward models to a video diffusion model can allow for compute and sample efficient alignment of the video diffusion model. We show results across a variety of reward models and video diffusion models, demonstrating that our approach can learn much more efficiently in terms of reward queries and computation than prior gradient-free approaches. Our code, model weights,and more visualization are available at https://vader-vid.github.io.

Learning to Rank (LTR) algorithms are usually evaluated using Information Retrieval metrics like Normalised Discounted Cumulative Gain (NDCG) or Mean Average Precision. As these metrics rely on sorting predicted items' scores (and thus, on items' ranks), their derivatives are either undefined or zero everywhere. This makes them unsuitable for gradient-based optimisation, which is the usual method of learning appropriate scoring functions. Commonly used LTR loss functions are only loosely related to the evaluation metrics, causing a mismatch between the optimisation objective and the evaluation criterion. In this paper, we address this mismatch by proposing NeuralNDCG, a novel differentiable approximation to NDCG. Since NDCG relies on the non-differentiable sorting operator, we obtain NeuralNDCG by relaxing that operator using NeuralSort, a differentiable approximation of sorting. As a result, we obtain a new ranking loss function which is an arbitrarily accurate approximation to the evaluation metric, thus closing the gap between the training and the evaluation of LTR models. We introduce two variants of the proposed loss function. Finally, the empirical evaluation shows that our proposed method outperforms previous work aimed at direct optimisation of NDCG and is competitive with the state-of-the-art methods.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

We present a novel method for local image feature matching. Instead of performing image feature detection, description, and matching sequentially, we propose to first establish pixel-wise dense matches at a coarse level and later refine the good matches at a fine level. In contrast to dense methods that use a cost volume to search correspondences, we use self and cross attention layers in Transformer to obtain feature descriptors that are conditioned on both images. The global receptive field provided by Transformer enables our method to produce dense matches in low-texture areas, where feature detectors usually struggle to produce repeatable interest points. The experiments on indoor and outdoor datasets show that LoFTR outperforms state-of-the-art methods by a large margin. LoFTR also ranks first on two public benchmarks of visual localization among the published methods.

We present a method for joint alignment of sparse in-the-wild image collections of an object category. Most prior works assume either ground-truth keypoint annotations or a large dataset of images of a single object category. However, neither of the above assumptions hold true for the long-tail of the objects present in the world. We present a self-supervised technique that directly optimizes on a sparse collection of images of a particular object/object category to obtain consistent dense correspondences across the collection. We use pairwise nearest neighbors obtained from deep features of a pre-trained vision transformer (ViT) model as noisy and sparse keypoint matches and make them dense and accurate matches by optimizing a neural network that jointly maps the image collection into a learned canonical grid. Experiments on CUB and SPair-71k benchmarks demonstrate that our method can produce globally consistent and higher quality correspondences across the image collection when compared to existing self-supervised methods. Code and other material will be made available at https://kampta.github.io/asic.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

We propose AffineGlue, a method for joint two-view feature matching and robust estimation that reduces the combinatorial complexity of the problem by employing single-point minimal solvers. AffineGlue selects potential matches from one-to-many correspondences to estimate minimal models. Guided matching is then used to find matches consistent with the model, suffering less from the ambiguities of one-to-one matches. Moreover, we derive a new minimal solver for homography estimation, requiring only a single affine correspondence (AC) and a gravity prior. Furthermore, we train a neural network to reject ACs that are unlikely to lead to a good model. AffineGlue is superior to the SOTA on real-world datasets, even when assuming that the gravity direction points downwards. On PhotoTourism, the AUC@10{\deg} score is improved by 6.6 points compared to the SOTA. On ScanNet, AffineGlue makes SuperPoint and SuperGlue achieve similar accuracy as the detector-free LoFTR.

Machine unlearning -- efficiently removing the effect of a small "forget set" of training data on a pre-trained machine learning model -- has recently attracted significant research interest. Despite this interest, however, recent work shows that existing machine unlearning techniques do not hold up to thorough evaluation in non-convex settings. In this work, we introduce a new machine unlearning technique that exhibits strong empirical performance even in such challenging settings. Our starting point is the perspective that the goal of unlearning is to produce a model whose outputs are statistically indistinguishable from those of a model re-trained on all but the forget set. This perspective naturally suggests a reduction from the unlearning problem to that of data attribution, where the goal is to predict the effect of changing the training set on a model's outputs. Thus motivated, we propose the following meta-algorithm, which we call Datamodel Matching (DMM): given a trained model, we (a) use data attribution to predict the output of the model if it were re-trained on all but the forget set points; then (b) fine-tune the pre-trained model to match these predicted outputs. In a simple convex setting, we show how this approach provably outperforms a variety of iterative unlearning algorithms. Empirically, we use a combination of existing evaluations and a new metric based on the KL-divergence to show that even in non-convex settings, DMM achieves strong unlearning performance relative to existing algorithms. An added benefit of DMM is that it is a meta-algorithm, in the sense that future advances in data attribution translate directly into better unlearning algorithms, pointing to a clear direction for future progress in unlearning.

Sparse training is emerging as a promising avenue for reducing the computational cost of training neural networks. Several recent studies have proposed pruning methods using learnable thresholds to efficiently explore the non-uniform distribution of sparsity inherent within the models. In this paper, we propose Gradient Annealing (GA), where gradients of masked weights are scaled down in a non-linear manner. GA provides an elegant trade-off between sparsity and accuracy without the need for additional sparsity-inducing regularization. We integrated GA with the latest learnable pruning methods to create an automated sparse training algorithm called AutoSparse, which achieves better accuracy and/or training/inference FLOPS reduction than existing learnable pruning methods for sparse ResNet50 and MobileNetV1 on ImageNet-1K: AutoSparse achieves (2x, 7x) reduction in (training,inference) FLOPS for ResNet50 on ImageNet at 80% sparsity. Finally, AutoSparse outperforms sparse-to-sparse SotA method MEST (uniform sparsity) for 80% sparse ResNet50 with similar accuracy, where MEST uses 12% more training FLOPS and 50% more inference FLOPS.

Wild Test-Time Adaptation (WTTA) is proposed to adapt a source model to unseen domains under extreme data scarcity and multiple shifts. Previous approaches mainly focused on sample selection strategies, while overlooking the fundamental problem on underlying optimization. Initially, we critically analyze the widely-adopted entropy minimization framework in WTTA and uncover its significant limitations in noisy optimization dynamics that substantially hinder adaptation efficiency. Through our analysis, we identify region confidence as a superior alternative to traditional entropy, however, its direct optimization remains computationally prohibitive for real-time applications. In this paper, we introduce a novel region-integrated method ReCAP that bypasses the lengthy process. Specifically, we propose a probabilistic region modeling scheme that flexibly captures semantic changes in embedding space. Subsequently, we develop a finite-to-infinite asymptotic approximation that transforms the intractable region confidence into a tractable and upper-bounded proxy. These innovations significantly unlock the overlooked potential dynamics in local region in a concise solution. Our extensive experiments demonstrate the consistent superiority of ReCAP over existing methods across various datasets and wild scenarios.

This paper proposes a new optimization algorithm called Entropy-SGD for training deep neural networks that is motivated by the local geometry of the energy landscape. Local extrema with low generalization error have a large proportion of almost-zero eigenvalues in the Hessian with very few positive or negative eigenvalues. We leverage upon this observation to construct a local-entropy-based objective function that favors well-generalizable solutions lying in large flat regions of the energy landscape, while avoiding poorly-generalizable solutions located in the sharp valleys. Conceptually, our algorithm resembles two nested loops of SGD where we use Langevin dynamics in the inner loop to compute the gradient of the local entropy before each update of the weights. We show that the new objective has a smoother energy landscape and show improved generalization over SGD using uniform stability, under certain assumptions. Our experiments on convolutional and recurrent networks demonstrate that Entropy-SGD compares favorably to state-of-the-art techniques in terms of generalization error and training time.

Pre-trained vision-language models like CLIP have remarkably adapted to various downstream tasks. Nonetheless, their performance heavily depends on the specificity of the input text prompts, which requires skillful prompt template engineering. Instead, current approaches to prompt optimization learn the prompts through gradient descent, where the prompts are treated as adjustable parameters. However, these methods tend to lead to overfitting of the base classes seen during training and produce prompts that are no longer understandable by humans. This paper introduces a simple but interpretable prompt optimizer (IPO), that utilizes large language models (LLMs) to generate textual prompts dynamically. We introduce a Prompt Optimization Prompt that not only guides LLMs in creating effective prompts but also stores past prompts with their performance metrics, providing rich in-context information. Additionally, we incorporate a large multimodal model (LMM) to condition on visual content by generating image descriptions, which enhance the interaction between textual and visual modalities. This allows for thae creation of dataset-specific prompts that improve generalization performance, while maintaining human comprehension. Extensive testing across 11 datasets reveals that IPO not only improves the accuracy of existing gradient-descent-based prompt learning methods but also considerably enhances the interpretability of the generated prompts. By leveraging the strengths of LLMs, our approach ensures that the prompts remain human-understandable, thereby facilitating better transparency and oversight for vision-language models.

Due to the nonlinear nature of Deep Neural Networks (DNNs), one can not guarantee convergence to a unique global minimum of the loss when using optimizers relying only on local information, such as SGD. Indeed, this was a primary source of skepticism regarding the feasibility of DNNs in the early days of the field. The past decades of progress in deep learning have revealed this skepticism to be misplaced, and a large body of empirical evidence shows that sufficiently large DNNs following standard training protocols exhibit well-behaved optimization dynamics that converge to performant solutions. This success has biased the community to use convex optimization as a mental model for learning, leading to a focus on training efficiency, either in terms of required iteration, FLOPs or wall-clock time, when improving optimizers. We argue that, while this perspective has proven extremely fruitful, another perspective specific to DNNs has received considerably less attention: the optimizer not only influences the rate of convergence, but also the qualitative properties of the learned solutions. Restated, the optimizer can and will encode inductive biases and change the effective expressivity of a given class of models. Furthermore, we believe the optimizer can be an effective way of encoding desiderata in the learning process. We contend that the community should aim at understanding the biases of already existing methods, as well as aim to build new optimizers with the explicit intent of inducing certain properties of the solution, rather than solely judging them based on their convergence rates. We hope our arguments will inspire research to improve our understanding of how the learning process can impact the type of solution we converge to, and lead to a greater recognition of optimizers design as a critical lever that complements the roles of architecture and data in shaping model outcomes.

We present cmKAN, a versatile framework for color matching. Given an input image with colors from a source color distribution, our method effectively and accurately maps these colors to match a target color distribution in both supervised and unsupervised settings. Our framework leverages the spline capabilities of Kolmogorov-Arnold Networks (KANs) to model the color matching between source and target distributions. Specifically, we developed a hypernetwork that generates spatially varying weight maps to control the nonlinear splines of a KAN, enabling accurate color matching. As part of this work, we introduce a first large-scale dataset of paired images captured by two distinct cameras and evaluate the efficacy of our and existing methods in matching colors. We evaluated our approach across various color-matching tasks, including: (1) raw-to-raw mapping, where the source color distribution is in one camera's raw color space and the target in another camera's raw space; (2) raw-to-sRGB mapping, where the source color distribution is in a camera's raw space and the target is in the display sRGB space, emulating the color rendering of a camera ISP; and (3) sRGB-to-sRGB mapping, where the goal is to transfer colors from a source sRGB space (e.g., produced by a source camera ISP) to a target sRGB space (e.g., from a different camera ISP). The results show that our method outperforms existing approaches by 37.3% on average for supervised and unsupervised cases while remaining lightweight compared to other methods. The codes, dataset, and pre-trained models are available at: https://github.com/gosha20777/cmKAN

Differentiable architecture search (DARTS) yields highly efficient gradient-based neural architecture search (NAS) by relaxing the discrete operation selection to optimize continuous architecture parameters that maps NAS from the discrete optimization to a continuous problem. DARTS then remaps the relaxed supernet back to the discrete space by one-off post-search pruning to obtain the final architecture (finalnet). Some emerging works argue that this remap is inherently prone to mismatch the network between training and evaluation which leads to performance discrepancy and even model collapse in extreme cases. We propose to close the gap between the relaxed supernet in training and the pruned finalnet in evaluation through utilizing small temperature to sparsify the continuous distribution in the training phase. To this end, we first formulate sparse-noisy softmax to get around gradient saturation. We then propose an exponential temperature schedule to better control the outbound distribution and elaborate an entropy-based adaptive scheme to finally achieve the enhancement. We conduct extensive experiments to verify the efficiency and efficacy of our method.

The composition of training data mixtures is critical for effectively training large language models (LLMs), as it directly impacts their performance on downstream tasks. Our goal is to identify an optimal data mixture to specialize an LLM for a specific task with access to only a few examples. Traditional approaches to this problem include ad-hoc reweighting methods, importance sampling, and gradient alignment techniques. This paper focuses on gradient alignment and introduces Dynamic Gradient Alignment (DGA), a scalable online gradient alignment algorithm. DGA dynamically estimates the pre-training data mixture on which the models' gradients align as well as possible with those of the model on the specific task. DGA is the first gradient alignment approach that incurs minimal overhead compared to standard pre-training and outputs a competitive model, eliminating the need for retraining the model. Experimentally, we demonstrate significant improvements over importance sampling in two key scenarios: (i) when the pre-training set is small and importance sampling overfits due to limited data; and (ii) when there is insufficient specialized data, trapping importance sampling on narrow pockets of data. Our findings underscore the effectiveness of gradient alignment methods in optimizing training data mixtures, particularly in data-constrained environments, and offer a practical solution for enhancing LLM performance on specific tasks with limited data availability.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

Text-to-image diffusion models, such as Stable Diffusion, can produce high-quality and diverse images but often fail to achieve compositional alignment, particularly when prompts describe complex object relationships, attributes, or spatial arrangements. Recent inference-time approaches address this by optimizing or exploring the initial noise under the guidance of reward functions that score text-image alignment without requiring model fine-tuning. While promising, each strategy has intrinsic limitations when used alone: optimization can stall due to poor initialization or unfavorable search trajectories, whereas exploration may require a prohibitively large number of samples to locate a satisfactory output. Our analysis further shows that neither single reward metrics nor ad-hoc combinations reliably capture all aspects of compositionality, leading to weak or inconsistent guidance. To overcome these challenges, we present Category-Aware Reward-based Initial Noise Optimization and Exploration (CARINOX), a unified framework that combines noise optimization and exploration with a principled reward selection procedure grounded in correlation with human judgments. Evaluations on two complementary benchmarks covering diverse compositional challenges show that CARINOX raises average alignment scores by +16% on T2I-CompBench++ and +11% on the HRS benchmark, consistently outperforming state-of-the-art optimization and exploration-based methods across all major categories, while preserving image quality and diversity. The project page is available at https://amirkasaei.com/carinox/{this URL}.

While generative modeling has become prevalent across numerous research fields, its integration into the realm of image retrieval remains largely unexplored and underjustified. In this paper, we present a novel methodology, reframing image retrieval as a variant of generative modeling and employing a sequence-to-sequence model. This approach is harmoniously aligned with the current trend towards unification in research, presenting a cohesive framework that allows for end-to-end differentiable searching. This, in turn, facilitates superior performance via direct optimization techniques. The development of our model, dubbed IRGen, addresses the critical technical challenge of converting an image into a concise sequence of semantic units, which is pivotal for enabling efficient and effective search. Extensive experiments demonstrate that our model achieves state-of-the-art performance on three widely-used image retrieval benchmarks as well as two million-scale datasets, yielding significant improvement compared to prior competitive retrieval methods. In addition, the notable surge in precision scores facilitated by generative modeling presents the potential to bypass the reranking phase, which is traditionally indispensable in practical retrieval workflows.

Large language models (LLMs) are increasingly used in learning algorithms, evaluations, and optimization tasks. Recent studies have shown that using LLM-based optimizers to automatically optimize model prompts, demonstrations, predictions themselves, or other components can significantly enhance the performance of AI systems, as demonstrated by frameworks such as DSPy and TextGrad. However, optimizers built on language models themselves are usually designed by humans with manual design choices; optimizers themselves are not optimized. Moreover, these optimizers are general purpose by design, to be useful to a broad audience, and are not tailored for specific tasks. To address these challenges, we propose metaTextGrad, which focuses on designing a meta-optimizer to further enhance existing optimizers and align them to be good optimizers for a given task. Our approach consists of two key components: a meta prompt optimizer and a meta structure optimizer. The combination of these two significantly improves performance across multiple benchmarks, achieving an average absolute performance improvement of up to 6% compared to the best baseline.

Large language models (LLMs) have shown increasing power on various natural language processing (NLP) tasks. However, tuning these models for downstream tasks usually needs exorbitant costs or is unavailable due to commercial considerations. Recently, black-box tuning has been proposed to address this problem by optimizing task-specific prompts without accessing the gradients and hidden representations. However, most existing works have yet fully exploited the potential of gradient-free optimization under the scenario of few-shot learning. In this paper, we describe BBT-RGB, a suite of straightforward and complementary techniques for enhancing the efficiency and performance of black-box optimization. Specifically, our method includes three plug-and-play components: (1) Two-stage derivative-free optimization strategy that facilitates fast convergence and mitigates overfitting; (2) Automatic verbalizer construction with its novel usage under few-shot settings; (3) Better prompt initialization policy based on instruction search and auto-selected demonstration. Extensive experiments across various tasks on natural language understanding and inference demonstrate the effectiveness of our method. Our codes are publicly available at https://github.com/QiushiSun/BBT-RGB.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output undesired responses. We investigate this problem in a principled manner by identifying the source of the misalignment as a form of distributional shift and uncertainty in learning human preferences. To mitigate overoptimization, we first propose a theoretical algorithm that chooses the best policy for an adversarially chosen reward model; one that simultaneously minimizes the maximum likelihood estimation of the loss and a reward penalty term. Here, the reward penalty term is introduced to prevent the policy from choosing actions with spurious high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy-to-implement reformulation. Using the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines: (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss that explicitly imitates the policy with a (suitable) baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of RPO compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.

We develop an analytical framework to characterize the set of optimal ReLU neural networks by reformulating the non-convex training problem as a convex program. We show that the global optima of the convex parameterization are given by a polyhedral set and then extend this characterization to the optimal set of the non-convex training objective. Since all stationary points of the ReLU training problem can be represented as optima of sub-sampled convex programs, our work provides a general expression for all critical points of the non-convex objective. We then leverage our results to provide an optimal pruning algorithm for computing minimal networks, establish conditions for the regularization path of ReLU networks to be continuous, and develop sensitivity results for minimal ReLU networks.

A major challenge in training large-scale machine learning models is configuring the training process to maximize model performance, i.e., finding the best training setup from a vast design space. In this work, we unlock a gradient-based approach to this problem. We first introduce an algorithm for efficiently calculating metagradients -- gradients through model training -- at scale. We then introduce a "smooth model training" framework that enables effective optimization using metagradients. With metagradient descent (MGD), we greatly improve on existing dataset selection methods, outperform accuracy-degrading data poisoning attacks by an order of magnitude, and automatically find competitive learning rate schedules.

Various tasks in data science are modeled utilizing the variational regularization approach, where manually selecting regularization parameters presents a challenge. The difficulty gets exacerbated when employing regularizers involving a large number of hyperparameters. To overcome this challenge, bilevel learning can be employed to learn such parameters from data. However, neither exact function values nor exact gradients with respect to the hyperparameters are attainable, necessitating methods that only rely on inexact evaluation of such quantities. State-of-the-art inexact gradient-based methods a priori select a sequence of the required accuracies and cannot identify an appropriate step size since the Lipschitz constant of the hypergradient is unknown. In this work, we propose an algorithm with backtracking line search that only relies on inexact function evaluations and hypergradients and show convergence to a stationary point. Furthermore, the proposed algorithm determines the required accuracy dynamically rather than manually selected before running it. Our numerical experiments demonstrate the efficiency and feasibility of our approach for hyperparameter estimation on a range of relevant problems in imaging and data science such as total variation and field of experts denoising and multinomial logistic regression. Particularly, the results show that the algorithm is robust to its own hyperparameters such as the initial accuracies and step size.

Recent studies have demonstrated that gradient matching-based dataset synthesis, or dataset condensation (DC), methods can achieve state-of-the-art performance when applied to data-efficient learning tasks. However, in this study, we prove that the existing DC methods can perform worse than the random selection method when task-irrelevant information forms a significant part of the training dataset. We attribute this to the lack of participation of the contrastive signals between the classes resulting from the class-wise gradient matching strategy. To address this problem, we propose Dataset Condensation with Contrastive signals (DCC) by modifying the loss function to enable the DC methods to effectively capture the differences between classes. In addition, we analyze the new loss function in terms of training dynamics by tracking the kernel velocity. Furthermore, we introduce a bi-level warm-up strategy to stabilize the optimization. Our experimental results indicate that while the existing methods are ineffective for fine-grained image classification tasks, the proposed method can successfully generate informative synthetic datasets for the same tasks. Moreover, we demonstrate that the proposed method outperforms the baselines even on benchmark datasets such as SVHN, CIFAR-10, and CIFAR-100. Finally, we demonstrate the high applicability of the proposed method by applying it to continual learning tasks.

Recent works show that reducing the number of layers in a convolutional neural network can enhance efficiency while maintaining the performance of the network. Existing depth compression methods remove redundant non-linear activation functions and merge the consecutive convolution layers into a single layer. However, these methods suffer from a critical drawback; the kernel size of the merged layers becomes larger, significantly undermining the latency reduction gained from reducing the depth of the network. We show that this problem can be addressed by jointly pruning convolution layers and activation functions. To this end, we propose LayerMerge, a novel depth compression method that selects which activation layers and convolution layers to remove, to achieve a desired inference speed-up while minimizing performance loss. Since the corresponding selection problem involves an exponential search space, we formulate a novel surrogate optimization problem and efficiently solve it via dynamic programming. Empirical results demonstrate that our method consistently outperforms existing depth compression and layer pruning methods on various network architectures, both on image classification and generation tasks. We release the code at https://github.com/snu-mllab/LayerMerge.

Selecting hyperparameters in deep learning greatly impacts its effectiveness but requires manual effort and expertise. Recent works show that Bayesian model selection with Laplace approximations can allow to optimize such hyperparameters just like standard neural network parameters using gradients and on the training data. However, estimating a single hyperparameter gradient requires a pass through the entire dataset, limiting the scalability of such algorithms. In this work, we overcome this issue by introducing lower bounds to the linearized Laplace approximation of the marginal likelihood. In contrast to previous estimators, these bounds are amenable to stochastic-gradient-based optimization and allow to trade off estimation accuracy against computational complexity. We derive them using the function-space form of the linearized Laplace, which can be estimated using the neural tangent kernel. Experimentally, we show that the estimators can significantly accelerate gradient-based hyperparameter optimization.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73times (1.46times on average) on an A100 GPU and up to 2.68times (1.51times) on a V100 GPU, respectively.

Prompt-based learning has been an effective paradigm for large pretrained language models (LLM), enabling few-shot or even zero-shot learning. Black-box prompt search has received growing interest recently for its distinctive properties of gradient-free optimization, proven particularly useful and powerful for model-as-a-service usage. However, the discrete nature and the complexity of combinatorial optimization hinder the efficiency of modern black-box approaches. Despite extensive research on search algorithms, the crucial aspect of search space design and optimization has been largely overlooked. In this paper, we first conduct a sensitivity analysis by prompting LLM, revealing that only a small number of tokens exert a disproportionate amount of influence on LLM predictions. Leveraging this insight, we propose the Clustering and Pruning for Efficient Black-box Prompt Search (ClaPS), a simple black-box search method that first clusters and prunes the search space to focus exclusively on influential prompt tokens. By employing even simple search methods within the pruned search space, ClaPS achieves state-of-the-art performance across various tasks and LLMs, surpassing the performance of complex approaches while significantly reducing search costs. Our findings underscore the critical role of search space design and optimization in enhancing both the usefulness and the efficiency of black-box prompt-based learning.

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Most downstream adaptation methods tune all or part of the parameters of pre-trained models (PTMs) through gradient descent, where the tuning cost increases linearly with the growth of the model size. By contrast, gradient-free methods only require the forward computation of the PTM to tune the prompt, retaining the benefits of efficient tuning and deployment. Though, past work on gradient-free tuning often introduces gradient descent to seek a good initialization of prompt and lacks versatility across tasks and PTMs. In this paper, we present BBTv2, an improved version of Black-Box Tuning, to drive PTMs for few-shot learning. We prepend continuous prompts to every layer of the PTM and propose a divide-and-conquer gradient-free algorithm to optimize the prompts at different layers alternately. Extensive experiments across various tasks and PTMs show that BBTv2 can achieve comparable performance to full model tuning and state-of-the-art parameter-efficient methods (e.g., Adapter, LoRA, BitFit, etc.) under few-shot settings while maintaining much fewer tunable parameters.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

We propose a categorical semantics of gradient-based machine learning algorithms in terms of lenses, parametrised maps, and reverse derivative categories. This foundation provides a powerful explanatory and unifying framework: it encompasses a variety of gradient descent algorithms such as ADAM, AdaGrad, and Nesterov momentum, as well as a variety of loss functions such as as MSE and Softmax cross-entropy, shedding new light on their similarities and differences. Our approach to gradient-based learning has examples generalising beyond the familiar continuous domains (modelled in categories of smooth maps) and can be realized in the discrete setting of boolean circuits. Finally, we demonstrate the practical significance of our framework with an implementation in Python.

We introduce ORIGEN, the first zero-shot method for 3D orientation grounding in text-to-image generation across multiple objects and diverse categories. While previous work on spatial grounding in image generation has mainly focused on 2D positioning, it lacks control over 3D orientation. To address this, we propose a reward-guided sampling approach using a pretrained discriminative model for 3D orientation estimation and a one-step text-to-image generative flow model. While gradient-ascent-based optimization is a natural choice for reward-based guidance, it struggles to maintain image realism. Instead, we adopt a sampling-based approach using Langevin dynamics, which extends gradient ascent by simply injecting random noise--requiring just a single additional line of code. Additionally, we introduce adaptive time rescaling based on the reward function to accelerate convergence. Our experiments show that ORIGEN outperforms both training-based and test-time guidance methods across quantitative metrics and user studies.

We introduce LightGlue, a deep neural network that learns to match local features across images. We revisit multiple design decisions of SuperGlue, the state of the art in sparse matching, and derive simple but effective improvements. Cumulatively, they make LightGlue more efficient - in terms of both memory and computation, more accurate, and much easier to train. One key property is that LightGlue is adaptive to the difficulty of the problem: the inference is much faster on image pairs that are intuitively easy to match, for example because of a larger visual overlap or limited appearance change. This opens up exciting prospects for deploying deep matchers in latency-sensitive applications like 3D reconstruction. The code and trained models are publicly available at https://github.com/cvg/LightGlue.

We propose a tuning-free dynamic SGD step size formula, which we call Distance over Gradients (DoG). The DoG step sizes depend on simple empirical quantities (distance from the initial point and norms of gradients) and have no ``learning rate'' parameter. Theoretically, we show that a slight variation of the DoG formula enjoys strong parameter-free convergence guarantees for stochastic convex optimization assuming only locally bounded stochastic gradients. Empirically, we consider a broad range of vision and language transfer learning tasks, and show that DoG's performance is close to that of SGD with tuned learning rate. We also propose a per-layer variant of DoG that generally outperforms tuned SGD, approaching the performance of tuned Adam. A PyTorch implementation is available at https://github.com/formll/dog

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

We present PatchmatchNet, a novel and learnable cascade formulation of Patchmatch for high-resolution multi-view stereo. With high computation speed and low memory requirement, PatchmatchNet can process higher resolution imagery and is more suited to run on resource limited devices than competitors that employ 3D cost volume regularization. For the first time we introduce an iterative multi-scale Patchmatch in an end-to-end trainable architecture and improve the Patchmatch core algorithm with a novel and learned adaptive propagation and evaluation scheme for each iteration. Extensive experiments show a very competitive performance and generalization for our method on DTU, Tanks & Temples and ETH3D, but at a significantly higher efficiency than all existing top-performing models: at least two and a half times faster than state-of-the-art methods with twice less memory usage.

Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.

In this paper, we propose a learning-based image fragment pair-searching and -matching approach to solve the challenging restoration problem. Existing works use rule-based methods to match similar contour shapes or textures, which are always difficult to tune hyperparameters for extensive data and computationally time-consuming. Therefore, we propose a neural network that can effectively utilize neighbor textures with contour shape information to fundamentally improve performance. First, we employ a graph-based network to extract the local contour and texture features of fragments. Then, for the pair-searching task, we adopt a linear transformer-based module to integrate these local features and use contrastive loss to encode the global features of each fragment. For the pair-matching task, we design a weighted fusion module to dynamically fuse extracted local contour and texture features, and formulate a similarity matrix for each pair of fragments to calculate the matching score and infer the adjacent segment of contours. To faithfully evaluate our proposed network, we created a new image fragment dataset through an algorithm we designed that tears complete images into irregular fragments. The experimental results show that our proposed network achieves excellent pair-searching accuracy, reduces matching errors, and significantly reduces computational time. Details, sourcecode, and data are available in our supplementary material.

Several recently proposed stochastic optimization methods that have been successfully used in training deep networks such as RMSProp, Adam, Adadelta, Nadam are based on using gradient updates scaled by square roots of exponential moving averages of squared past gradients. In many applications, e.g. learning with large output spaces, it has been empirically observed that these algorithms fail to converge to an optimal solution (or a critical point in nonconvex settings). We show that one cause for such failures is the exponential moving average used in the algorithms. We provide an explicit example of a simple convex optimization setting where Adam does not converge to the optimal solution, and describe the precise problems with the previous analysis of Adam algorithm. Our analysis suggests that the convergence issues can be fixed by endowing such algorithms with `long-term memory' of past gradients, and propose new variants of the Adam algorithm which not only fix the convergence issues but often also lead to improved empirical performance.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

Training state-of-the-art vision models has become prohibitively expensive for researchers and practitioners. For the sake of accessibility and resource reuse, it is important to focus on adapting these models to a variety of downstream scenarios. An interesting and practical paradigm is online test-time adaptation, according to which training data is inaccessible, no labelled data from the test distribution is available, and adaptation can only happen at test time and on a handful of samples. In this paper, we investigate how test-time adaptation methods fare for a number of pre-trained models on a variety of real-world scenarios, significantly extending the way they have been originally evaluated. We show that they perform well only in narrowly-defined experimental setups and sometimes fail catastrophically when their hyperparameters are not selected for the same scenario in which they are being tested. Motivated by the inherent uncertainty around the conditions that will ultimately be encountered at test time, we propose a particularly "conservative" approach, which addresses the problem with a Laplacian Adjusted Maximum-likelihood Estimation (LAME) objective. By adapting the model's output (not its parameters), and solving our objective with an efficient concave-convex procedure, our approach exhibits a much higher average accuracy across scenarios than existing methods, while being notably faster and have a much lower memory footprint. The code is available at https://github.com/fiveai/LAME.

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

In this paper, we study a novel and widely existing problem in graph matching (GM), namely, Bi-level Noisy Correspondence (BNC), which refers to node-level noisy correspondence (NNC) and edge-level noisy correspondence (ENC). In brief, on the one hand, due to the poor recognizability and viewpoint differences between images, it is inevitable to inaccurately annotate some keypoints with offset and confusion, leading to the mismatch between two associated nodes, i.e., NNC. On the other hand, the noisy node-to-node correspondence will further contaminate the edge-to-edge correspondence, thus leading to ENC. For the BNC challenge, we propose a novel method termed Contrastive Matching with Momentum Distillation. Specifically, the proposed method is with a robust quadratic contrastive loss which enjoys the following merits: i) better exploring the node-to-node and edge-to-edge correlations through a GM customized quadratic contrastive learning paradigm; ii) adaptively penalizing the noisy assignments based on the confidence estimated by the momentum teacher. Extensive experiments on three real-world datasets show the robustness of our model compared with 12 competitive baselines. The code is available at https://github.com/XLearning-SCU/2023-ICCV-COMMON.

Prevailing Multimodal Large Language Models (MLLMs) encode the input image(s) as vision tokens and feed them into the language backbone, similar to how Large Language Models (LLMs) process the text tokens. However, the number of vision tokens increases quadratically as the image resolutions, leading to huge computational costs. In this paper, we consider improving MLLM's efficiency from two scenarios, (I) Reducing computational cost without degrading the performance. (II) Improving the performance with given budgets. We start with our main finding that the ranking of each vision token sorted by attention scores is similar in each layer except the first layer. Based on it, we assume that the number of essential top vision tokens does not increase along layers. Accordingly, for Scenario I, we propose a greedy search algorithm (G-Search) to find the least number of vision tokens to keep at each layer from the shallow to the deep. Interestingly, G-Search is able to reach the optimal reduction strategy based on our assumption. For Scenario II, based on the reduction strategy from G-Search, we design a parametric sigmoid function (P-Sigmoid) to guide the reduction at each layer of the MLLM, whose parameters are optimized by Bayesian Optimization. Extensive experiments demonstrate that our approach can significantly accelerate those popular MLLMs, e.g. LLaVA, and InternVL2 models, by more than 2 times without performance drops. Our approach also far outperforms other token reduction methods when budgets are limited, achieving a better trade-off between efficiency and effectiveness.

Merging models fine-tuned from a common, extensively pre-trained large model but specialized for different tasks has been demonstrated as a cheap and scalable strategy to construct a multi-task model that performs well across diverse tasks. Recent research, exemplified by task arithmetic, highlights that this multi-task model can be derived through arithmetic operations on task vectors. Nevertheless, current merging techniques frequently resolve potential conflicts among parameters from task-specific models by evaluating individual attributes, such as the parameters' magnitude or sign, overlooking their collective impact on the overall functionality of the model. In this work, we propose the CONtinuous relaxation of disCRETE (Concrete) subspace learning method to identify a common low-dimensional subspace and utilize its shared information to track the interference problem without sacrificing much performance. Specifically, we model the problem as a bi-level optimization problem and introduce a meta-learning framework to find the Concrete subspace mask through gradient-based techniques. At the upper level, we focus on learning a shared Concrete mask to identify the subspace, while at the inner level, model merging is performed to maximize the performance of the merged model. We conduct extensive experiments on both vision domain and language domain, and the results demonstrate the effectiveness of our method. The code is available at https://github.com/tanganke/subspace_fusion

Given the massive cost of language model pre-training, a non-trivial improvement of the optimization algorithm would lead to a material reduction on the time and cost of training. Adam and its variants have been state-of-the-art for years, and more sophisticated second-order (Hessian-based) optimizers often incur too much per-step overhead. In this paper, we propose Sophia, Second-order Clipped Stochastic Optimization, a simple scalable second-order optimizer that uses a light-weight estimate of the diagonal Hessian as the pre-conditioner. The update is the moving average of the gradients divided by the moving average of the estimated Hessian, followed by element-wise clipping. The clipping controls the worst-case update size and tames the negative impact of non-convexity and rapid change of Hessian along the trajectory. Sophia only estimates the diagonal Hessian every handful of iterations, which has negligible average per-step time and memory overhead. On language modeling with GPT-2 models of sizes ranging from 125M to 770M, Sophia achieves a 2x speed-up compared with Adam in the number of steps, total compute, and wall-clock time. Theoretically, we show that Sophia adapts to the curvature in different components of the parameters, which can be highly heterogeneous for language modeling tasks. Our run-time bound does not depend on the condition number of the loss.

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

Training large language models (LLMs) is often bottlenecked by extreme memory demands, with optimizer states dominating the footprint. Recent works mitigates this cost by projecting gradients into low-dimensional subspaces using sophisticated update strategies. In this paper, we analyze the dynamics of gradient space and its underlying subspaces. We find that while a small subspace captures most gradient energy, a significant portion still resides in the residual bulk; moreover, the influence of the core subspace diminishes over time and in deeper layers. We also observe that the gradient space exhibits near-flat curvature, calling for algorithms that explicitly account for this geometry. Motivated by these insights, we introduce a suite of randomized algorithms, GrassWalk and GrassJump, which exploit subspace and achieve state-of-the-art memory savings while improving performance on LLaMA-1B and LLaMA-7B pretraining.

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

Semi-dense feature matching methods have shown strong performance in challenging scenarios. However, the existing pipeline relies on a global search across the entire feature map to establish coarse matches, limiting further improvements in accuracy and efficiency. Motivated by this limitation, we propose a novel pipeline, CasP, which leverages cascaded correspondence priors for guidance. Specifically, the matching stage is decomposed into two progressive phases, bridged by a region-based selective cross-attention mechanism designed to enhance feature discriminability. In the second phase, one-to-one matches are determined by restricting the search range to the one-to-many prior areas identified in the first phase. Additionally, this pipeline benefits from incorporating high-level features, which helps reduce the computational costs of low-level feature extraction. The acceleration gains of CasP increase with higher resolution, and our lite model achieves a speedup of sim2.2times at a resolution of 1152 compared to the most efficient method, ELoFTR. Furthermore, extensive experiments demonstrate its superiority in geometric estimation, particularly with impressive cross-domain generalization. These advantages highlight its potential for latency-sensitive and high-robustness applications, such as SLAM and UAV systems. Code is available at https://github.com/pq-chen/CasP.

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second order statistics of the data, are far less prevalent despite strong theoretical properties, due to their prohibitive computation, memory and communication costs. In an attempt to bridge this gap between theoretical and practical optimization, we present a scalable implementation of a second-order preconditioned method (concretely, a variant of full-matrix Adagrad), that along with several critical algorithmic and numerical improvements, provides significant convergence and wall-clock time improvements compared to conventional first-order methods on state-of-the-art deep models. Our novel design effectively utilizes the prevalent heterogeneous hardware architecture for training deep models, consisting of a multicore CPU coupled with multiple accelerator units. We demonstrate superior performance compared to state-of-the-art on very large learning tasks such as machine translation with Transformers, language modeling with BERT, click-through rate prediction on Criteo, and image classification on ImageNet with ResNet-50.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

Text-to-image diffusion models have recently emerged at the forefront of image generation, powered by very large-scale unsupervised or weakly supervised text-to-image training datasets. Due to their unsupervised training, controlling their behavior in downstream tasks, such as maximizing human-perceived image quality, image-text alignment, or ethical image generation, is difficult. Recent works finetune diffusion models to downstream reward functions using vanilla reinforcement learning, notorious for the high variance of the gradient estimators. In this paper, we propose AlignProp, a method that aligns diffusion models to downstream reward functions using end-to-end backpropagation of the reward gradient through the denoising process. While naive implementation of such backpropagation would require prohibitive memory resources for storing the partial derivatives of modern text-to-image models, AlignProp finetunes low-rank adapter weight modules and uses gradient checkpointing, to render its memory usage viable. We test AlignProp in finetuning diffusion models to various objectives, such as image-text semantic alignment, aesthetics, compressibility and controllability of the number of objects present, as well as their combinations. We show AlignProp achieves higher rewards in fewer training steps than alternatives, while being conceptually simpler, making it a straightforward choice for optimizing diffusion models for differentiable reward functions of interest. Code and Visualization results are available at https://align-prop.github.io/.

Prompt tuning, a recently emerging paradigm, enables the powerful vision-language pre-training models to adapt to downstream tasks in a parameter -- and data -- efficient way, by learning the ``soft prompts'' to condition frozen pre-training models. Though effective, it is particularly problematic in the few-shot scenario, where prompt tuning performance is sensitive to the initialization and requires a time-consuming process to find a good initialization, thus restricting the fast adaptation ability of the pre-training models. In addition, prompt tuning could undermine the generalizability of the pre-training models, because the learnable prompt tokens are easy to overfit to the limited training samples. To address these issues, we introduce a novel Gradient-RegulAted Meta-prompt learning (GRAM) framework that jointly meta-learns an efficient soft prompt initialization for better adaptation and a lightweight gradient regulating function for strong cross-domain generalizability in a meta-learning paradigm using only the unlabeled image-text pre-training data. Rather than designing a specific prompt tuning method, our GRAM can be easily incorporated into various prompt tuning methods in a model-agnostic way, and comprehensive experiments show that GRAM brings about consistent improvement for them in several settings (i.e., few-shot learning, cross-domain generalization, cross-dataset generalization, etc.) over 11 datasets. Further, experiments show that GRAM enables the orthogonal methods of textual and visual prompt tuning to work in a mutually-enhanced way, offering better generalizability beyond the uni-modal prompt tuning methods.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

Recent feature matching methods have achieved remarkable performance but lack efficiency consideration. In this paper, we revisit the mainstream detector-free matching pipeline and improve all its stages considering both accuracy and efficiency. We propose an Efficient Deep feature Matching network, EDM. We first adopt a deeper CNN with fewer dimensions to extract multi-level features. Then we present a Correlation Injection Module that conducts feature transformation on high-level deep features, and progressively injects feature correlations from global to local for efficient multi-scale feature aggregation, improving both speed and performance. In the refinement stage, a novel lightweight bidirectional axis-based regression head is designed to directly predict subpixel-level correspondences from latent features, avoiding the significant computational cost of explicitly locating keypoints on high-resolution local feature heatmaps. Moreover, effective selection strategies are introduced to enhance matching accuracy. Extensive experiments show that our EDM achieves competitive matching accuracy on various benchmarks and exhibits excellent efficiency, offering valuable best practices for real-world applications. The code is available at https://github.com/chicleee/EDM.

Text-to-video models have made remarkable advancements through optimization on high-quality text-video pairs, where the textual prompts play a pivotal role in determining quality of output videos. However, achieving the desired output often entails multiple revisions and iterative inference to refine user-provided prompts. Current automatic methods for refining prompts encounter challenges such as Modality-Inconsistency, Cost-Discrepancy, and Model-Unaware when applied to text-to-video diffusion models. To address these problem, we introduce an LLM-based prompt adaptation framework, termed as Prompt-A-Video, which excels in crafting Video-Centric, Labor-Free and Preference-Aligned prompts tailored to specific video diffusion model. Our approach involves a meticulously crafted two-stage optimization and alignment system. Initially, we conduct a reward-guided prompt evolution pipeline to automatically create optimal prompts pool and leverage them for supervised fine-tuning (SFT) of the LLM. Then multi-dimensional rewards are employed to generate pairwise data for the SFT model, followed by the direct preference optimization (DPO) algorithm to further facilitate preference alignment. Through extensive experimentation and comparative analyses, we validate the effectiveness of Prompt-A-Video across diverse generation models, highlighting its potential to push the boundaries of video generation.

Preference optimization for diffusion models aims to align them with human preferences for images. Previous methods typically leverage Vision-Language Models (VLMs) as pixel-level reward models to approximate human preferences. However, when used for step-level preference optimization, these models face challenges in handling noisy images of different timesteps and require complex transformations into pixel space. In this work, we demonstrate that diffusion models are inherently well-suited for step-level reward modeling in the latent space, as they can naturally extract features from noisy latent images. Accordingly, we propose the Latent Reward Model (LRM), which repurposes components of diffusion models to predict preferences of latent images at various timesteps. Building on LRM, we introduce Latent Preference Optimization (LPO), a method designed for step-level preference optimization directly in the latent space. Experimental results indicate that LPO not only significantly enhances performance in aligning diffusion models with general, aesthetic, and text-image alignment preferences, but also achieves 2.5-28times training speedup compared to existing preference optimization methods. Our code will be available at https://github.com/casiatao/LPO.

Recent research has demonstrated that transformers, particularly linear attention models, implicitly execute gradient-descent-like algorithms on data provided in-context during their forward inference step. However, their capability in handling more complex problems remains unexplored. In this paper, we prove that any linear transformer maintains an implicit linear model and can be interpreted as performing a variant of preconditioned gradient descent. We also investigate the use of linear transformers in a challenging scenario where the training data is corrupted with different levels of noise. Remarkably, we demonstrate that for this problem linear transformers discover an intricate and highly effective optimization algorithm, surpassing or matching in performance many reasonable baselines. We reverse-engineer this algorithm and show that it is a novel approach incorporating momentum and adaptive rescaling based on noise levels. Our findings show that even linear transformers possess the surprising ability to discover sophisticated optimization strategies.

Direct preference optimization (DPO) has shown success in aligning diffusion models with human preference. Previous approaches typically assume a consistent preference label between final generations and noisy samples at intermediate steps, and directly apply DPO to these noisy samples for fine-tuning. However, we theoretically identify inherent issues in this assumption and its impacts on the effectiveness of preference alignment. We first demonstrate the inherent issues from two perspectives: gradient direction and preference order, and then propose a Tailored Preference Optimization (TailorPO) framework for aligning diffusion models with human preference, underpinned by some theoretical insights. Our approach directly ranks intermediate noisy samples based on their step-wise reward, and effectively resolves the gradient direction issues through a simple yet efficient design. Additionally, we incorporate the gradient guidance of diffusion models into preference alignment to further enhance the optimization effectiveness. Experimental results demonstrate that our method significantly improves the model's ability to generate aesthetically pleasing and human-preferred images.

The alignment of large language models (LLMs) with human values is critical as these models become increasingly integrated into various societal and decision-making processes. Traditional methods, such as reinforcement learning from human feedback (RLHF), achieve alignment by fine-tuning model parameters, but these approaches are often computationally expensive and impractical when models are frozen or inaccessible for parameter modification. In contrast, prompt optimization is a viable alternative to RLHF for LLM alignment. While the existing literature has shown empirical promise of prompt optimization, its theoretical underpinning remains under-explored. We address this gap by formulating prompt optimization as an optimization problem and try to provide theoretical insights into the optimality of such a framework. To analyze the performance of the prompt optimization, we study theoretical suboptimality bounds and provide insights in terms of how prompt optimization depends upon the given prompter and target model. We also provide empirical validation through experiments on various datasets, demonstrating that prompt optimization can effectively align LLMs, even when parameter fine-tuning is not feasible.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Text-to-image diffusion models often struggle to achieve accurate semantic alignment between generated images and text prompts while maintaining efficiency for deployment on resource-constrained hardware. Existing approaches either incur substantial computational overhead through noise optimization or compromise semantic fidelity by aggressively pruning tokens. In this work, we propose OptiPrune, a unified framework that combines distribution-aware initial noise optimization with similarity-based token pruning to address both challenges simultaneously. Specifically, (1) we introduce a distribution-aware noise optimization module guided by attention scores to steer the initial latent noise toward semantically meaningful regions, mitigating issues such as subject neglect and feature entanglement; (2) we design a hardware-efficient token pruning strategy that selects representative base tokens via patch-wise similarity, injects randomness to enhance generalization, and recovers pruned tokens using maximum similarity copying before attention operations. Our method preserves the Gaussian prior during noise optimization and enables efficient inference without sacrificing alignment quality. Experiments on benchmark datasets, including Animal-Animal, demonstrate that OptiPrune achieves state-of-the-art prompt-image consistency with significantly reduced computational cost.

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by optimizing EBFlow with score-matching objectives, the computation of Jacobian determinants for linear transformations can be entirely bypassed. This feature enables the use of arbitrary linear layers in the construction of flow-based models without increasing the computational time complexity of each training iteration from O(D^2L) to O(D^3L) for an L-layered model that accepts D-dimensional inputs. This makes the training of EBFlow more efficient than the commonly-adopted maximum likelihood training method. In addition to the reduction in runtime, we enhance the training stability and empirical performance of EBFlow through a number of techniques developed based on our analysis of the score-matching methods. The experimental results demonstrate that our approach achieves a significant speedup compared to maximum likelihood estimation while outperforming prior methods with a noticeable margin in terms of negative log-likelihood (NLL).

A diffusion model learns to predict a vector field of gradients. We propose to apply chain rule on the learned gradients, and back-propagate the score of a diffusion model through the Jacobian of a differentiable renderer, which we instantiate to be a voxel radiance field. This setup aggregates 2D scores at multiple camera viewpoints into a 3D score, and repurposes a pretrained 2D model for 3D data generation. We identify a technical challenge of distribution mismatch that arises in this application, and propose a novel estimation mechanism to resolve it. We run our algorithm on several off-the-shelf diffusion image generative models, including the recently released Stable Diffusion trained on the large-scale LAION dataset.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

A key challenge in neural architecture search (NAS) is quickly inferring the predictive performance of a broad spectrum of networks to discover statistically accurate and computationally efficient ones. We refer to this task as model performance inference (MPI). The current practice for efficient MPI is gradient-based methods that leverage the gradients of a network at initialization to infer its performance. However, existing gradient-based methods rely only on heuristic metrics and lack the necessary theoretical foundations to consolidate their designs. We propose GradSign, an accurate, simple, and flexible metric for model performance inference with theoretical insights. The key idea behind GradSign is a quantity {\Psi} to analyze the optimization landscape of different networks at the granularity of individual training samples. Theoretically, we show that both the network's training and true population losses are proportionally upper-bounded by {\Psi} under reasonable assumptions. In addition, we design GradSign, an accurate and simple approximation of {\Psi} using the gradients of a network evaluated at a random initialization state. Evaluation on seven NAS benchmarks across three training datasets shows that GradSign generalizes well to real-world networks and consistently outperforms state-of-the-art gradient-based methods for MPI evaluated by Spearman's {\rho} and Kendall's Tau. Additionally, we integrate GradSign into four existing NAS algorithms and show that the GradSign-assisted NAS algorithms outperform their vanilla counterparts by improving the accuracies of best-discovered networks by up to 0.3%, 1.1%, and 1.0% on three real-world tasks.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

This study explores the concept of equivariance in vision-language foundation models (VLMs), focusing specifically on the multimodal similarity function that is not only the major training objective but also the core delivery to support downstream tasks. Unlike the existing image-text similarity objective which only categorizes matched pairs as similar and unmatched pairs as dissimilar, equivariance also requires similarity to vary faithfully according to the semantic changes. This allows VLMs to generalize better to nuanced and unseen multimodal compositions. However, modeling equivariance is challenging as the ground truth of semantic change is difficult to collect. For example, given an image-text pair about a dog, it is unclear to what extent the similarity changes when the pixel is changed from dog to cat? To this end, we propose EqSim, a regularization loss that can be efficiently calculated from any two matched training pairs and easily pluggable into existing image-text retrieval fine-tuning. Meanwhile, to further diagnose the equivariance of VLMs, we present a new challenging benchmark EqBen. Compared to the existing evaluation sets, EqBen is the first to focus on "visual-minimal change". Extensive experiments show the lack of equivariance in current VLMs and validate the effectiveness of EqSim. Code is available at https://github.com/Wangt-CN/EqBen.

Large language models (LLMs) have revolutionized lots of fields of research. Although it is well-known that fine-tuning is essential for enhancing the capabilities of LLMs, existing research suggests that there is potential redundancy in the fine-tuning process and therefore proposes to update only a subset of parameters. However, these methods fail to leverage the task-specific information to identify important parameters during training. Based on the insight that gradients inherently contain information on task-specific data, we propose Gradient-Mask Tuning (GMT), a method that selectively updates parameters during training based on their gradient information. Specifically, we compute the absolute values of the gradients and apply masking to those with relatively smaller magnitudes. Our empirical results across various tasks demonstrate that GMT not only outperforms traditional fine-tuning methods but also elevates the upper limits of LLM performance. Further analysis indicates that GMT exhibits insensitivity to mask ratio and possesses computational efficiency comparable to vanilla SFT.

Several first order stochastic optimization methods commonly used in the Euclidean domain such as stochastic gradient descent (SGD), accelerated gradient descent or variance reduced methods have already been adapted to certain Riemannian settings. However, some of the most popular of these optimization tools - namely Adam , Adagrad and the more recent Amsgrad - remain to be generalized to Riemannian manifolds. We discuss the difficulty of generalizing such adaptive schemes to the most agnostic Riemannian setting, and then provide algorithms and convergence proofs for geodesically convex objectives in the particular case of a product of Riemannian manifolds, in which adaptivity is implemented across manifolds in the cartesian product. Our generalization is tight in the sense that choosing the Euclidean space as Riemannian manifold yields the same algorithms and regret bounds as those that were already known for the standard algorithms. Experimentally, we show faster convergence and to a lower train loss value for Riemannian adaptive methods over their corresponding baselines on the realistic task of embedding the WordNet taxonomy in the Poincare ball.

We provide a rigorous analysis of implicit regularization in an overparametrized tensor factorization problem beyond the lazy training regime. For matrix factorization problems, this phenomenon has been studied in a number of works. A particular challenge has been to design universal initialization strategies which provably lead to implicit regularization in gradient-descent methods. At the same time, it has been argued by Cohen et. al. 2016 that more general classes of neural networks can be captured by considering tensor factorizations. However, in the tensor case, implicit regularization has only been rigorously established for gradient flow or in the lazy training regime. In this paper, we prove the first tensor result of its kind for gradient descent rather than gradient flow. We focus on the tubal tensor product and the associated notion of low tubal rank, encouraged by the relevance of this model for image data. We establish that gradient descent in an overparametrized tensor factorization model with a small random initialization exhibits an implicit bias towards solutions of low tubal rank. Our theoretical findings are illustrated in an extensive set of numerical simulations show-casing the dynamics predicted by our theory as well as the crucial role of using a small random initialization.

Finding the optimal Retrieval-Augmented Generation (RAG) configuration for a given use case can be complex and expensive. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet their effectiveness has not been rigorously benchmarked. To address this gap, we present a comprehensive study involving 5 HPO algorithms over 5 datasets from diverse domains, including a new one collected for this work on real-world product documentation. Our study explores the largest HPO search space considered to date, with two optimized evaluation metrics. Analysis of the results shows that RAG HPO can be done efficiently, either greedily or with iterative random search, and that it significantly boosts RAG performance for all datasets. For greedy HPO approaches, we show that optimizing models first is preferable to the prevalent practice of optimizing sequentially according to the RAG pipeline order.

Federated optimization, an emerging paradigm which finds wide real-world applications such as federated learning, enables multiple clients (e.g., edge devices) to collaboratively optimize a global function. The clients do not share their local datasets and typically only share their local gradients. However, the gradient information is not available in many applications of federated optimization, which hence gives rise to the paradigm of federated zeroth-order optimization (ZOO). Existing federated ZOO algorithms suffer from the limitations of query and communication inefficiency, which can be attributed to (a) their reliance on a substantial number of function queries for gradient estimation and (b) the significant disparity between their realized local updates and the intended global updates. To this end, we (a) introduce trajectory-informed gradient surrogates which is able to use the history of function queries during optimization for accurate and query-efficient gradient estimation, and (b) develop the technique of adaptive gradient correction using these gradient surrogates to mitigate the aforementioned disparity. Based on these, we propose the federated zeroth-order optimization using trajectory-informed surrogate gradients (FZooS) algorithm for query- and communication-efficient federated ZOO. Our FZooS achieves theoretical improvements over the existing approaches, which is supported by our real-world experiments such as federated black-box adversarial attack and federated non-differentiable metric optimization.

We introduce a Parametric Information Maximization (PIM) model for the Generalized Category Discovery (GCD) problem. Specifically, we propose a bi-level optimization formulation, which explores a parameterized family of objective functions, each evaluating a weighted mutual information between the features and the latent labels, subject to supervision constraints from the labeled samples. Our formulation mitigates the class-balance bias encoded in standard information maximization approaches, thereby handling effectively both short-tailed and long-tailed data sets. We report extensive experiments and comparisons demonstrating that our PIM model consistently sets new state-of-the-art performances in GCD across six different datasets, more so when dealing with challenging fine-grained problems.

Text-to-image generative models have recently attracted considerable interest, enabling the synthesis of high-quality images from textual prompts. However, these models often lack the capability to generate specific subjects from given reference images or to synthesize novel renditions under varying conditions. Methods like DreamBooth and Subject-driven Text-to-Image (SuTI) have made significant progress in this area. Yet, both approaches primarily focus on enhancing similarity to reference images and require expensive setups, often overlooking the need for efficient training and avoiding overfitting to the reference images. In this work, we present the lambda-Harmonic reward function, which provides a reliable reward signal and enables early stopping for faster training and effective regularization. By combining the Bradley-Terry preference model, the lambda-Harmonic reward function also provides preference labels for subject-driven generation tasks. We propose Reward Preference Optimization (RPO), which offers a simpler setup (requiring only 3% of the negative samples used by DreamBooth) and fewer gradient steps for fine-tuning. Unlike most existing methods, our approach does not require training a text encoder or optimizing text embeddings and achieves text-image alignment by fine-tuning only the U-Net component. Empirically, lambda-Harmonic proves to be a reliable approach for model selection in subject-driven generation tasks. Based on preference labels and early stopping validation from the lambda-Harmonic reward function, our algorithm achieves a state-of-the-art CLIP-I score of 0.833 and a CLIP-T score of 0.314 on DreamBench.

We consider learning representations (features) in the setting in which we have access to multiple unlabeled views of the data for learning while only one view is available for downstream tasks. Previous work on this problem has proposed several techniques based on deep neural networks, typically involving either autoencoder-like networks with a reconstruction objective or paired feedforward networks with a batch-style correlation-based objective. We analyze several techniques based on prior work, as well as new variants, and compare them empirically on image, speech, and text tasks. We find an advantage for correlation-based representation learning, while the best results on most tasks are obtained with our new variant, deep canonically correlated autoencoders (DCCAE). We also explore a stochastic optimization procedure for minibatch correlation-based objectives and discuss the time/performance trade-offs for kernel-based and neural network-based implementations.

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS^star), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to 10times less compute. In text-to-image generation and language completion tasks, DTS^star effectively searches for high reward samples that match best-of-N with up to 5times less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

Saliency methods seek to explain the predictions of a model by producing an importance map across each input sample. A popular class of such methods is based on backpropagating a signal and analyzing the resulting gradient. Despite much research on such methods, relatively little work has been done to clarify the differences between such methods as well as the desiderata of these techniques. Thus, there is a need for rigorously understanding the relationships between different methods as well as their failure modes. In this work, we conduct a thorough analysis of backpropagation-based saliency methods and propose a single framework under which several such methods can be unified. As a result of our study, we make three additional contributions. First, we use our framework to propose NormGrad, a novel saliency method based on the spatial contribution of gradients of convolutional weights. Second, we combine saliency maps at different layers to test the ability of saliency methods to extract complementary information at different network levels (e.g.~trading off spatial resolution and distinctiveness) and we explain why some methods fail at specific layers (e.g., Grad-CAM anywhere besides the last convolutional layer). Third, we introduce a class-sensitivity metric and a meta-learning inspired paradigm applicable to any saliency method for improving sensitivity to the output class being explained.

To minimize the average of a set of log-convex functions, the stochastic Newton method iteratively updates its estimate using subsampled versions of the full objective's gradient and Hessian. We contextualize this optimization problem as sequential Bayesian inference on a latent state-space model with a discriminatively-specified observation process. Applying Bayesian filtering then yields a novel optimization algorithm that considers the entire history of gradients and Hessians when forming an update. We establish matrix-based conditions under which the effect of older observations diminishes over time, in a manner analogous to Polyak's heavy ball momentum. We illustrate various aspects of our approach with an example and review other relevant innovations for the stochastic Newton method.

Recent advancements in human preference optimization, initially developed for Language Models (LMs), have shown promise for text-to-image Diffusion Models, enhancing prompt alignment, visual appeal, and user preference. Unlike LMs, Diffusion Models typically optimize in pixel or VAE space, which does not align well with human perception, leading to slower and less efficient training during the preference alignment stage. We propose using a perceptual objective in the U-Net embedding space of the diffusion model to address these issues. Our approach involves fine-tuning Stable Diffusion 1.5 and XL using Direct Preference Optimization (DPO), Contrastive Preference Optimization (CPO), and supervised fine-tuning (SFT) within this embedding space. This method significantly outperforms standard latent-space implementations across various metrics, including quality and computational cost. For SDXL, our approach provides 60.8\% general preference, 62.2\% visual appeal, and 52.1\% prompt following against original open-sourced SDXL-DPO on the PartiPrompts dataset, while significantly reducing compute. Our approach not only improves the efficiency and quality of human preference alignment for diffusion models but is also easily integrable with other optimization techniques. The training code and LoRA weights will be available here: https://huggingface.co/alexgambashidze/SDXL\_NCP-DPO\_v0.1

We propose 3D Congealing, a novel problem of 3D-aware alignment for 2D images capturing semantically similar objects. Given a collection of unlabeled Internet images, our goal is to associate the shared semantic parts from the inputs and aggregate the knowledge from 2D images to a shared 3D canonical space. We introduce a general framework that tackles the task without assuming shape templates, poses, or any camera parameters. At its core is a canonical 3D representation that encapsulates geometric and semantic information. The framework optimizes for the canonical representation together with the pose for each input image, and a per-image coordinate map that warps 2D pixel coordinates to the 3D canonical frame to account for the shape matching. The optimization procedure fuses prior knowledge from a pre-trained image generative model and semantic information from input images. The former provides strong knowledge guidance for this under-constraint task, while the latter provides the necessary information to mitigate the training data bias from the pre-trained model. Our framework can be used for various tasks such as correspondence matching, pose estimation, and image editing, achieving strong results on real-world image datasets under challenging illumination conditions and on in-the-wild online image collections.

Training with larger mini-batches improves the convergence rate and can yield superior performance. However, training with large mini-batches becomes prohibitive for Large Language Models (LLMs), due to the large GPU memory requirement. To address this problem, an effective approach is finding small mini-batch coresets that closely match the gradient of larger mini-batches. However, this approach becomes infeasible and ineffective for LLMs, due to the highly imbalanced mixture of sources in language data, use of the Adam optimizer, and the very large gradient dimensionality of LLMs. In this work, we address the above challenges by proposing Coresets for Training LLMs (CoLM). First, we show that mini-batch coresets found by gradient matching do not contain representative examples of the small sources w.h.p., and thus including all examples of the small sources in the mini-batch coresets is crucial for optimal performance. Second, we normalize the gradients by their historical exponential to find mini-batch coresets for training with Adam. Finally, we leverage zeroth-order methods to find smooth gradient of the last V-projection matrix and sparsify it to keep the dimensions with the largest normalized gradient magnitude. We apply CoLM to fine-tuning Phi-2, Phi-3, Zephyr, and Llama-3 models with LoRA on MathInstruct and SuperGLUE benchmark. Remarkably, CoLM reduces the memory requirement of fine-tuning by 2x and even outperforms training with 4x larger mini-batches. Moreover, CoLM seamlessly integrates with existing memory-efficient training methods like LoRA, further reducing the memory requirements of training LLMs. Our code is available at https://github.com/BigML-CS-UCLA/CoLM.

A family of loss functions built on pair-based computation have been proposed in the literature which provide a myriad of solutions for deep metric learning. In this paper, we provide a general weighting framework for understanding recent pair-based loss functions. Our contributions are three-fold: (1) we establish a General Pair Weighting (GPW) framework, which casts the sampling problem of deep metric learning into a unified view of pair weighting through gradient analysis, providing a powerful tool for understanding recent pair-based loss functions; (2) we show that with GPW, various existing pair-based methods can be compared and discussed comprehensively, with clear differences and key limitations identified; (3) we propose a new loss called multi-similarity loss (MS loss) under the GPW, which is implemented in two iterative steps (i.e., mining and weighting). This allows it to fully consider three similarities for pair weighting, providing a more principled approach for collecting and weighting informative pairs. Finally, the proposed MS loss obtains new state-of-the-art performance on four image retrieval benchmarks, where it outperforms the most recent approaches, such as ABEKim_2018_ECCV and HTL by a large margin: 60.6% to 65.7% on CUB200, and 80.9% to 88.0% on In-Shop Clothes Retrieval dataset at Recall@1. Code is available at https://github.com/MalongTech/research-ms-loss.

We present a new generalizable NeRF method that is able to directly generalize to new unseen scenarios and perform novel view synthesis with as few as two source views. The key to our approach lies in the explicitly modeled correspondence matching information, so as to provide the geometry prior to the prediction of NeRF color and density for volume rendering. The explicit correspondence matching is quantified with the cosine similarity between image features sampled at the 2D projections of a 3D point on different views, which is able to provide reliable cues about the surface geometry. Unlike previous methods where image features are extracted independently for each view, we consider modeling the cross-view interactions via Transformer cross-attention, which greatly improves the feature matching quality. Our method achieves state-of-the-art results on different evaluation settings, with the experiments showing a strong correlation between our learned cosine feature similarity and volume density, demonstrating the effectiveness and superiority of our proposed method. Code is at https://github.com/donydchen/matchnerf

The current advances in generative AI for learning large neural network models with the capability to produce essays, images, music and even 3D assets from text prompts create opportunities for a manifold of disciplines. In the present paper, we study the potential of deep text-to-3D models in the engineering domain, with focus on the chances and challenges when integrating and interacting with 3D assets in computational simulation-based design optimization. In contrast to traditional design optimization of 3D geometries that often searches for the optimum designs using numerical representations, such as B-Spline surface or deformation parameters in vehicle aerodynamic optimization, natural language challenges the optimization framework by requiring a different interpretation of variation operators while at the same time may ease and motivate the human user interaction. Here, we propose and realize a fully automated evolutionary design optimization framework using Shap-E, a recently published text-to-3D asset network by OpenAI, in the context of aerodynamic vehicle optimization. For representing text prompts in the evolutionary optimization, we evaluate (a) a bag-of-words approach based on prompt templates and Wordnet samples, and (b) a tokenisation approach based on prompt templates and the byte pair encoding method from GPT4. Our main findings from the optimizations indicate that, first, it is important to ensure that the designs generated from prompts are within the object class of application, i.e. diverse and novel designs need to be realistic, and, second, that more research is required to develop methods where the strength of text prompt variations and the resulting variations of the 3D designs share causal relations to some degree to improve the optimization.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.