Daily Papers

Minority samples are underrepresented instances located in low-density regions of a data manifold, and are valuable in many generative AI applications, such as data augmentation, creative content generation, etc. Unfortunately, existing diffusion-based minority generators often rely on computationally expensive guidance dedicated for minority generation. To address this, here we present a simple yet powerful guidance-free approach called Boost-and-Skip for generating minority samples using diffusion models. The key advantage of our framework requires only two minimal changes to standard generative processes: (i) variance-boosted initialization and (ii) timestep skipping. We highlight that these seemingly-trivial modifications are supported by solid theoretical and empirical evidence, thereby effectively promoting emergence of underrepresented minority features. Our comprehensive experiments demonstrate that Boost-and-Skip greatly enhances the capability of generating minority samples, even rivaling guidance-based state-of-the-art approaches while requiring significantly fewer computations. Code is available at https://github.com/soobin-um/BnS.

Graph Neural Networks (GNNs) have displayed considerable promise in graph representation learning across various applications. The core learning process requires the initialization of model weight matrices within each GNN layer, which is typically accomplished via classic initialization methods such as Xavier initialization. However, these methods were originally motivated to stabilize the variance of hidden embeddings and gradients across layers of Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to avoid vanishing gradients and maintain steady information flow. In contrast, within the GNN context classical initializations disregard the impact of the input graph structure and message passing on variance. In this paper, we analyze the variance of forward and backward propagation across GNN layers and show that the variance instability of GNN initializations comes from the combined effect of the activation function, hidden dimension, graph structure and message passing. To better account for these influence factors, we propose a new initialization method for Variance Instability Reduction within GNN Optimization (Virgo), which naturally tends to equate forward and backward variances across successive layers. We conduct comprehensive experiments on 15 datasets to show that Virgo can lead to superior model performance and more stable variance at initialization on node classification, link prediction and graph classification tasks. Codes are in https://github.com/LspongebobJH/virgo_icml2023.

Deep neural networks are usually initialized with random weights, with adequately selected initial variance to ensure stable signal propagation during training. However, selecting the appropriate variance becomes challenging especially as the number of layers grows. In this work, we replace random weight initialization with a fully deterministic initialization scheme, viz., ZerO, which initializes the weights of networks with only zeros and ones (up to a normalization factor), based on identity and Hadamard transforms. Through both theoretical and empirical studies, we demonstrate that ZerO is able to train networks without damaging their expressivity. Applying ZerO on ResNet achieves state-of-the-art performance on various datasets, including ImageNet, which suggests random weights may be unnecessary for network initialization. In addition, ZerO has many benefits, such as training ultra deep networks (without batch-normalization), exhibiting low-rank learning trajectories that result in low-rank and sparse solutions, and improving training reproducibility.

Layer-sequential unit-variance (LSUV) initialization - a simple method for weight initialization for deep net learning - is proposed. The method consists of the two steps. First, pre-initialize weights of each convolution or inner-product layer with orthonormal matrices. Second, proceed from the first to the final layer, normalizing the variance of the output of each layer to be equal to one. Experiment with different activation functions (maxout, ReLU-family, tanh) show that the proposed initialization leads to learning of very deep nets that (i) produces networks with test accuracy better or equal to standard methods and (ii) is at least as fast as the complex schemes proposed specifically for very deep nets such as FitNets (Romero et al. (2015)) and Highway (Srivastava et al. (2015)). Performance is evaluated on GoogLeNet, CaffeNet, FitNets and Residual nets and the state-of-the-art, or very close to it, is achieved on the MNIST, CIFAR-10/100 and ImageNet datasets.

Implicit Neural Representations (INRs) are a versatile and powerful tool for encoding various forms of data, including images, videos, sound, and 3D shapes. A critical factor in the success of INRs is the initialization of the network, which can significantly impact the convergence and accuracy of the learned model. Unfortunately, commonly used neural network initializations are not widely applicable for many activation functions, especially those used by INRs. In this paper, we improve upon previous initialization methods by deriving an initialization that has stable variance across layers, and applies to any activation function. We show that this generalizes many previous initialization methods, and has even better stability for well studied activations. We also show that our initialization leads to improved results with INR activation functions in multiple signal modalities. Our approach is particularly effective for Gaussian INRs, where we demonstrate that the theory of our initialization matches with task performance in multiple experiments, allowing us to achieve improvements in image, audio, and 3D surface reconstruction.

Existing neural active learning algorithms have aimed to optimize the predictive performance of neural networks (NNs) by selecting data for labelling. However, other than a good predictive performance, being robust against random parameter initializations is also a crucial requirement in safety-critical applications. To this end, we introduce our expected variance with Gaussian processes (EV-GP) criterion for neural active learning, which is theoretically guaranteed to select data points which lead to trained NNs with both (a) good predictive performances and (b) initialization robustness. Importantly, our EV-GP criterion is training-free, i.e., it does not require any training of the NN during data selection, which makes it computationally efficient. We empirically demonstrate that our EV-GP criterion is highly correlated with both initialization robustness and generalization performance, and show that it consistently outperforms baseline methods in terms of both desiderata, especially in situations with limited initial data or large batch sizes.

In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model as initialization for finetuning, one can either initialize B to zero and A to random (default initialization in PEFT package), or vice-versa. In both cases, the product BA is equal to zero at initialization, which makes finetuning starts from the pretrained model. These two initialization schemes are seemingly similar. They should in-principle yield the same performance and share the same optimal learning rate. We demonstrate that this is an incorrect intuition and that the first scheme (initializing B to zero and A to random) on average yields better performance compared to the other scheme. Our theoretical analysis shows that the reason behind this might be that the first initialization allows the use of larger learning rates (without causing output instability) compared to the second initialization, resulting in more efficient learning of the first scheme. We validate our results with extensive experiments on LLMs.

Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

Despite rapid advancements in the research and deployment of large language models (LLMs), the statistical distribution of model parameters, as well as their influence on initialization, training dynamics, and downstream efficiency, has received surprisingly little attention. A recent work introduced BackSlash, a training-time compression algorithm. It first demonstrated that pre-trained LLM parameters follow generalized Gaussian distributions (GGDs) better. By optimizing GG priors during training, BackSlash can reduce parameters by up to 90\% with minimal performance loss. Building on this foundational insight, we propose a unified, end-to-end framework for LLM optimization based on the GG model. Our contributions are threefold: (1) GG-based initialization scheme that aligns with the statistical structure of trained models, resulting in faster convergence and improved accuracy; (2) DeepShape, a post-training regularization method that reshapes weight distributions to match a GG profile, improving compressibility with minimized degradation in performance; and (3) RF8, a compact and hardware-efficient 8-bit floating-point format designed for GG-distributed-initialized BackSlash training, enabling low-cost inference without compromising accuracy. Experiments across diverse model architectures show that our framework consistently yields smaller and faster models that match or outperform standard training baselines. By grounding LLM development in principled statistical modeling, this work forges a new path toward efficient, scalable, and hardware-aware AI systems. The code is available on our project page: https://huggingface.co/spaces/shifeng3711/gg_prior.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

Initialization of parameters in deep neural networks has been shown to have a big impact on the performance of the networks (Mishkin & Matas, 2015). The initialization scheme devised by He et al, allowed convolution activations to carry a constrained mean which allowed deep networks to be trained effectively (He et al., 2015a). Orthogonal initializations and more generally orthogonal matrices in standard recurrent networks have been proved to eradicate the vanishing and exploding gradient problem (Pascanu et al., 2012). Majority of current initialization schemes do not take fully into account the intrinsic structure of the convolution operator. Using the duality of the Fourier transform and the convolution operator, Convolution Aware Initialization builds orthogonal filters in the Fourier space, and using the inverse Fourier transform represents them in the standard space. With Convolution Aware Initialization we noticed not only higher accuracy and lower loss, but faster convergence. We achieve new state of the art on the CIFAR10 dataset, and achieve close to state of the art on various other tasks.

Deep neural networks are known to exhibit a spectral learning bias, wherein low-frequency components are learned early in training, while high-frequency modes emerge more gradually in later epochs. However, when the target signal lacks low-frequency components and is dominated by broadband high frequencies, training suffers from a 'spectral bottleneck', and the model fails to reconstruct the entire signal, including the frequency components that lie within the network's representational capacity. We examine such a scenario in the context of implicit neural representations (INRs) with sinusoidal representation networks (SIRENs), focusing on the challenge of fitting high-frequency-dominant signals that are susceptible to spectral bottleneck. To effectively fit any target signal irrespective of it's frequency content, we propose a generalized target-aware 'weight perturbation scheme' (WINNER - weight initialization with noise for neural representations) for network initialization. The scheme perturbs uniformly initialized weights with Gaussian noise, where the noise scales are adaptively determined by the spectral centroid of the target signal. We show that the noise scales can provide control over the spectra of network activations and the eigenbasis of the empirical neural tangent kernel. This method not only addresses the spectral bottleneck but also yields faster convergence and with improved representation accuracy, outperforming state-of-the-art approaches in audio fitting and achieving notable gains in image fitting and denoising tasks. Beyond signal reconstruction, our approach opens new directions for adaptive weight initialization strategies in computer vision and scientific machine learning.

In practice, we usually need to build variable-sized models adapting for diverse resource constraints in different application scenarios, where weight initialization is an important step prior to training. The Learngene framework, introduced recently, firstly learns one compact part termed as learngene from a large well-trained model, after which learngene is expanded to initialize variable-sized models. In this paper, we start from analysing the importance of guidance for the expansion of well-trained learngene layers, inspiring the design of a simple but highly effective Learngene approach termed SWS (Stage-wise Weight Sharing), where both learngene layers and their learning process critically contribute to providing knowledge and guidance for initializing models at varying scales. Specifically, to learn learngene layers, we build an auxiliary model comprising multiple stages where the layer weights in each stage are shared, after which we train it through distillation. Subsequently, we expand these learngene layers containing stage information at their corresponding stage to initialize models of variable depths. Extensive experiments on ImageNet-1K demonstrate that SWS achieves consistent better performance compared to many models trained from scratch, while reducing around 6.6x total training costs. In some cases, SWS performs better only after 1 epoch tuning. When initializing variable-sized models adapting for different resource constraints, SWS achieves better results while reducing around 20x parameters stored to initialize these models and around 10x pre-training costs, in contrast to the pre-training and fine-tuning approach.

Training deep neural networks--and more recently, large models--demands efficient and scalable optimizers. Adaptive gradient algorithms like Adam, AdamW, and their variants have been central to this task. Despite the development of numerous variance reduction algorithms in the past decade aimed at accelerating stochastic optimization in both convex and nonconvex settings, variance reduction has not found widespread success in training deep neural networks or large language models. Consequently, it has remained a less favored approach in modern AI. In this paper, to unleash the power of variance reduction for efficient training of large models, we propose a unified optimization framework, MARS (Make vAriance Reduction Shine), which reconciles preconditioned gradient methods with variance reduction via a scaled stochastic recursive momentum technique. Within our framework, we introduce three instances of MARS that leverage preconditioned gradient updates based on AdamW, Lion, and Shampoo, respectively. We also draw a connection between our algorithms and existing optimizers. Experimental results on training GPT-2 models indicate that MARS consistently outperforms AdamW by a large margin.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Transformers stand as the cornerstone of mordern deep learning. Traditionally, these models rely on multi-layer perceptron (MLP) layers to mix the information between channels. In this paper, we introduce the Kolmogorov-Arnold Transformer (KAT), a novel architecture that replaces MLP layers with Kolmogorov-Arnold Network (KAN) layers to enhance the expressiveness and performance of the model. Integrating KANs into transformers, however, is no easy feat, especially when scaled up. Specifically, we identify three key challenges: (C1) Base function. The standard B-spline function used in KANs is not optimized for parallel computing on modern hardware, resulting in slower inference speeds. (C2) Parameter and Computation Inefficiency. KAN requires a unique function for each input-output pair, making the computation extremely large. (C3) Weight initialization. The initialization of weights in KANs is particularly challenging due to their learnable activation functions, which are critical for achieving convergence in deep neural networks. To overcome the aforementioned challenges, we propose three key solutions: (S1) Rational basis. We replace B-spline functions with rational functions to improve compatibility with modern GPUs. By implementing this in CUDA, we achieve faster computations. (S2) Group KAN. We share the activation weights through a group of neurons, to reduce the computational load without sacrificing performance. (S3) Variance-preserving initialization. We carefully initialize the activation weights to make sure that the activation variance is maintained across layers. With these designs, KAT scales effectively and readily outperforms traditional MLP-based transformers.

Training deep generative models like Variational Autoencoders (VAEs) is often hindered by the need to backpropagate gradients through the stochastic sampling of their latent variables, a process that inherently introduces estimation variance, which can slow convergence and degrade performance. In this paper, we propose a new perspective that sidesteps this problem, which we call Silent Gradients. Instead of improving stochastic estimators, we leverage specific decoder architectures to analytically compute the expected ELBO, yielding a gradient with zero variance. We first provide a theoretical foundation for this method and demonstrate its superiority over existing estimators in a controlled setting with a linear decoder. To generalize our approach for practical use with complex, expressive decoders, we introduce a novel training dynamic that uses the exact, zero-variance gradient to guide the early stages of encoder training before annealing to a standard stochastic estimator. Our experiments show that this technique consistently improves the performance of established baselines, including reparameterization, Gumbel-Softmax, and REINFORCE, across multiple datasets. This work opens a new direction for training generative models by combining the stability of analytical computation with the expressiveness of deep, nonlinear architecture.

Weight initialization plays an important role in neural network training. Widely used initialization methods are proposed and evaluated for networks that are trained from scratch. However, the growing number of pretrained models now offers new opportunities for tackling this classical problem of weight initialization. In this work, we introduce weight selection, a method for initializing smaller models by selecting a subset of weights from a pretrained larger model. This enables the transfer of knowledge from pretrained weights to smaller models. Our experiments demonstrate that weight selection can significantly enhance the performance of small models and reduce their training time. Notably, it can also be used together with knowledge distillation. Weight selection offers a new approach to leverage the power of pretrained models in resource-constrained settings, and we hope it can be a useful tool for training small models in the large-model era. Code is available at https://github.com/OscarXZQ/weight-selection.

Despite their remarkable effectiveness and broad application, the drivers of success underlying ensembles of trees are still not fully understood. In this paper, we highlight how interpreting tree ensembles as adaptive and self-regularizing smoothers can provide new intuition and deeper insight to this topic. We use this perspective to show that, when studied as smoothers, randomized tree ensembles not only make predictions that are quantifiably more smooth than the predictions of the individual trees they consist of, but also further regulate their smoothness at test-time based on the dissimilarity between testing and training inputs. First, we use this insight to revisit, refine and reconcile two recent explanations of forest success by providing a new way of quantifying the conjectured behaviors of tree ensembles objectively by measuring the effective degree of smoothing they imply. Then, we move beyond existing explanations for the mechanisms by which tree ensembles improve upon individual trees and challenge the popular wisdom that the superior performance of forests should be understood as a consequence of variance reduction alone. We argue that the current high-level dichotomy into bias- and variance-reduction prevalent in statistics is insufficient to understand tree ensembles -- because the prevailing definition of bias does not capture differences in the expressivity of the hypothesis classes formed by trees and forests. Instead, we show that forests can improve upon trees by three distinct mechanisms that are usually implicitly entangled. In particular, we demonstrate that the smoothing effect of ensembling can reduce variance in predictions due to noise in outcome generation, reduce variability in the quality of the learned function given fixed input data and reduce potential bias in learnable functions by enriching the available hypothesis space.

Deep neural networks have achieved remarkable accomplishments in practice. The success of these networks hinges on effective initialization methods, which are vital for ensuring stable and rapid convergence during training. Recently, initialization methods that maintain identity transition within layers have shown good efficiency in network training. These techniques (e.g., Fixup) set specific weights to zero to achieve identity control. However, settings of remaining weight (e.g., Fixup uses random values to initialize non-zero weights) will affect the inductive bias that is achieved only by a zero weight, which may be harmful to training. Addressing this concern, we introduce fully identical initialization (IDInit), a novel method that preserves identity in both the main and sub-stem layers of residual networks. IDInit employs a padded identity-like matrix to overcome rank constraints in non-square weight matrices. Furthermore, we show the convergence problem of an identity matrix can be solved by stochastic gradient descent. Additionally, we enhance the universality of IDInit by processing higher-order weights and addressing dead neuron problems. IDInit is a straightforward yet effective initialization method, with improved convergence, stability, and performance across various settings, including large-scale datasets and deep models.

Large pre-trained models (LPMs) have demonstrated exceptional performance in diverse natural language processing and computer vision tasks. However, fully fine-tuning these models poses substantial memory challenges, particularly in resource-constrained environments. Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, mitigate this issue by adjusting only a small subset of parameters. Nevertheless, these methods typically employ random initialization for low-rank matrices, which can lead to inefficiencies in gradient descent and diminished generalizability due to suboptimal starting points. To address these limitations, we propose SVFit, a novel PEFT approach that leverages singular value decomposition (SVD) to initialize low-rank matrices using critical singular values as trainable parameters. Specifically, SVFit performs SVD on the pre-trained weight matrix to obtain the best rank-r approximation matrix, emphasizing the most critical singular values that capture over 99% of the matrix's information. These top-r singular values are then used as trainable parameters to scale the fundamental subspaces of the matrix, facilitating rapid domain adaptation. Extensive experiments across various pre-trained models in natural language understanding, text-to-image generation, and image classification tasks reveal that SVFit outperforms LoRA while requiring 16 times fewer trainable parameters.

Fully-connected deep neural networks with weights initialized from independent Gaussian distributions can be tuned to criticality, which prevents the exponential growth or decay of signals propagating through the network. However, such networks still exhibit fluctuations that grow linearly with the depth of the network, which may impair the training of networks with width comparable to depth. We show analytically that rectangular networks with tanh activations and weights initialized from the ensemble of orthogonal matrices have corresponding preactivation fluctuations which are independent of depth, to leading order in inverse width. Moreover, we demonstrate numerically that, at initialization, all correlators involving the neural tangent kernel (NTK) and its descendants at leading order in inverse width -- which govern the evolution of observables during training -- saturate at a depth of sim 20, rather than growing without bound as in the case of Gaussian initializations. We speculate that this structure preserves finite-width feature learning while reducing overall noise, thus improving both generalization and training speed. We provide some experimental justification by relating empirical measurements of the NTK to the superior performance of deep nonlinear orthogonal networks trained under full-batch gradient descent on the MNIST and CIFAR-10 classification tasks.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Large multimodal reasoning models have achieved rapid progress, but their advancement is constrained by two major limitations: the absence of open, large-scale, high-quality long chain-of-thought (CoT) data, and the instability of reinforcement learning (RL) algorithms in post-training. Group Relative Policy Optimization (GRPO), the standard framework for RL fine-tuning, is prone to gradient vanishing when reward variance is low, which weakens optimization signals and impairs convergence. This work makes three contributions: (1) We propose Variance-Aware Sampling (VAS), a data selection strategy guided by Variance Promotion Score (VPS) that combines outcome variance and trajectory diversity to promote reward variance and stabilize policy optimization. (2) We release large-scale, carefully curated resources containing ~1.6M long CoT cold-start data and ~15k RL QA pairs, designed to ensure quality, difficulty, and diversity, along with a fully reproducible end-to-end training codebase. (3) We open-source a family of multimodal reasoning models in multiple scales, establishing standardized baselines for the community. Experiments across mathematical reasoning benchmarks demonstrate the effectiveness of both the curated data and the proposed VAS. Comprehensive ablation studies and analyses provide further insight into the contributions of each component. In addition, we theoretically establish that reward variance lower-bounds the expected policy gradient magnitude, with VAS serving as a practical mechanism to realize this guarantee. Our code, data, and checkpoints are available at https://github.com/LengSicong/MMR1.

Sampling-based algorithms, which eliminate ''unimportant'' computations during forward and/or back propagation (BP), offer potential solutions to accelerate neural network training. However, since sampling introduces approximations to training, such algorithms may not consistently maintain accuracy across various tasks. In this work, we introduce a variance-controlled adaptive sampling (VCAS) method designed to accelerate BP. VCAS computes an unbiased stochastic gradient with fine-grained layerwise importance sampling in data dimension for activation gradient calculation and leverage score sampling in token dimension for weight gradient calculation. To preserve accuracy, we control the additional variance by learning the sample ratio jointly with model parameters during training. We assessed VCAS on multiple fine-tuning and pre-training tasks in both vision and natural language domains. On all the tasks, VCAS can preserve the original training loss trajectory and validation accuracy with an up to 73.87% FLOPs reduction of BP and 49.58% FLOPs reduction of the whole training process. The implementation is available at https://github.com/thu-ml/VCAS .

Blind image deconvolution (BID) is a classic yet challenging problem in the field of image processing. Recent advances in deep image prior (DIP) have motivated a series of DIP-based approaches, demonstrating remarkable success in BID. However, due to the high non-convexity of the inherent optimization process, these methods are notorious for their sensitivity to the initialized kernel. To alleviate this issue and further improve their performance, we propose a new framework for BID that better considers the prior modeling and the initialization for blur kernels, leveraging a deep generative model. The proposed approach pre-trains a generative adversarial network-based kernel generator that aptly characterizes the kernel priors and a kernel initializer that facilitates a well-informed initialization for the blur kernel through latent space encoding. With the pre-trained kernel generator and initializer, one can obtain a high-quality initialization of the blur kernel, and enable optimization within a compact latent kernel manifold. Such a framework results in an evident performance improvement over existing DIP-based BID methods. Extensive experiments on different datasets demonstrate the effectiveness of the proposed method.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

We study the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned on a downstream task for a specific application. The most successful and most commonly used fine-tuning method is to update the pre-trained weights via a low-rank adaptation (LoRA). LoRA introduces new weight matrices that are usually initialized at random with a uniform rank distribution across model weights. Recent works focus on weight-driven initialization or learning of adaptive ranks during training. Both approaches have only been investigated in isolation, resulting in slow convergence or a uniform rank distribution, in turn leading to sub-optimal performance. We propose to enhance LoRA by initializing the new weights in a data-driven manner by computing singular value decomposition on minibatches of activation vectors. Then, we initialize the LoRA matrices with the obtained right-singular vectors and re-distribute ranks among all weight matrices to explain the maximal amount of variance and continue the standard LoRA fine-tuning procedure. This results in our new method Explained Variance Adaptation (EVA). We apply EVA to a variety of fine-tuning tasks ranging from language generation and understanding to image classification and reinforcement learning. EVA exhibits faster convergence than competitors and attains the highest average score across a multitude of tasks per domain.

We study contextual combinatorial bandits with probabilistically triggered arms (C^2MAB-T) under a variety of smoothness conditions that capture a wide range of applications, such as contextual cascading bandits and contextual influence maximization bandits. Under the triggering probability modulated (TPM) condition, we devise the C^2-UCB-T algorithm and propose a novel analysis that achieves an O(dKT) regret bound, removing a potentially exponentially large factor O(1/p_{min}), where d is the dimension of contexts, p_{min} is the minimum positive probability that any arm can be triggered, and batch-size K is the maximum number of arms that can be triggered per round. Under the variance modulated (VM) or triggering probability and variance modulated (TPVM) conditions, we propose a new variance-adaptive algorithm VAC^2-UCB and derive a regret bound O(dT), which is independent of the batch-size K. As a valuable by-product, our analysis technique and variance-adaptive algorithm can be applied to the CMAB-T and C^2MAB setting, improving existing results there as well. We also include experiments that demonstrate the improved performance of our algorithms compared with benchmark algorithms on synthetic and real-world datasets.

The infinitely wide neural network has been proven a useful and manageable mathematical model that enables the understanding of many phenomena appearing in deep learning. One example is the convergence of random deep networks to Gaussian processes that allows a rigorous analysis of the way the choice of activation function and network weights impacts the training dynamics. In this paper, we extend the seminal proof of Matthews et al. (2018) to a larger class of initial weight distributions (which we call PSEUDO-IID), including the established cases of IID and orthogonal weights, as well as the emerging low-rank and structured sparse settings celebrated for their computational speed-up benefits. We show that fully-connected and convolutional networks initialized with PSEUDO-IID distributions are all effectively equivalent up to their variance. Using our results, one can identify the Edge-of-Chaos for a broader class of neural networks and tune them at criticality in order to enhance their training. Moreover, they enable the posterior distribution of Bayesian Neural Networks to be tractable across these various initialization schemes.

While prompt tuning approaches have achieved competitive performance with high efficiency, we observe that they invariably employ the same initialization process, wherein the soft prompt is either randomly initialized or derived from an existing embedding vocabulary. In contrast to these conventional methods, this study aims to investigate an alternative way to derive soft prompt. Our empirical studies show that the soft prompt typically exhibits a low intrinsic rank characteristic. With such observations, we propose decomposed prompt tuning, a novel approach that utilizes low-rank matrices to initialize the soft prompt. Through the low-rank reparameterization, our method significantly reduces the number of trainable parameters while maintaining effectiveness. Experimental results on the SuperGLUE benchmark in both high-resource and low-resource scenarios demonstrate the effectiveness of the proposed method.

Data balancing across multiple modalities and sources appears in various forms in foundation models in machine learning and AI, e.g. in CLIP and DINO. We show that data balancing across modalities and sources actually offers an unsuspected benefit: variance reduction. We present a non-asymptotic statistical bound that quantifies this variance reduction effect and relates it to the eigenvalue decay of Markov operators. Furthermore, we describe how various forms of data balancing in contrastive multimodal learning and self-supervised clustering can be better understood, and even improved upon, owing to our variance reduction viewpoint.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

Increasingly expensive training of ever larger models such as Vision Transfomers motivate reusing the vast library of already trained state-of-the-art networks. However, their latency, high computational costs and memory demands pose significant challenges for deployment, especially on resource-constrained hardware. While structured pruning methods can reduce these factors, they often require costly retraining, sometimes for up to hundreds of epochs, or even training from scratch to recover the lost accuracy resulting from the structural modifications. Maintaining the provided performance of trained models after structured pruning and thereby avoiding extensive retraining remains a challenge. To solve this, we introduce Variance-Based Pruning, a simple and structured one-shot pruning technique for efficiently compressing networks, with minimal finetuning. Our approach first gathers activation statistics, which are used to select neurons for pruning. Simultaneously the mean activations are integrated back into the model to preserve a high degree of performance. On ImageNet-1k recognition tasks, we demonstrate that directly after pruning DeiT-Base retains over 70% of its original performance and requires only 10 epochs of fine-tuning to regain 99% of the original accuracy while simultaneously reducing MACs by 35% and model size by 36%, thus speeding up the model by 1.44x.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

Activation functions are fundamental in deep neural networks and directly impact gradient flow, optimization stability, and generalization. Although ReLU remains standard because of its simplicity, it suffers from vanishing gradients and lacks adaptability. Alternatives like Swish and GELU introduce smooth transitions, but fail to dynamically adjust to input statistics. We propose VeLU, a Variance-enhanced Learning Unit as an activation function that dynamically scales based on input variance by integrating ArcTan-Sin transformations and Wasserstein-2 regularization, effectively mitigating covariate shifts and stabilizing optimization. Extensive experiments on ViT_B16, VGG19, ResNet50, DenseNet121, MobileNetV2, and EfficientNetB3 confirm VeLU's superiority over ReLU, ReLU6, Swish, and GELU on six vision benchmarks. The codes of VeLU are publicly available on GitHub.

Deploying deep neural networks on low-resource edge devices is challenging due to their ever-increasing resource requirements. Recent investigations propose multiplication-free neural networks to reduce computation and memory consumption. Shift neural network is one of the most effective tools towards these reductions. However, existing low-bit shift networks are not as accurate as their full precision counterparts and cannot efficiently transfer to a wide range of tasks due to their inherent design flaws. We propose DenseShift network that exploits the following novel designs. First, we demonstrate that the zero-weight values in low-bit shift networks are neither useful to the model capacity nor simplify the model inference. Therefore, we propose to use a zero-free shifting mechanism to simplify inference while increasing the model capacity. Second, we design a new metric to measure the weight freezing issue in training low-bit shift networks, and propose a sign-scale decomposition to improve the training efficiency. Third, we propose the low-variance random initialization strategy to improve the model's performance in transfer learning scenarios. We run extensive experiments on various computer vision and speech tasks. The experimental results show that DenseShift network significantly outperforms existing low-bit multiplication-free networks and can achieve competitive performance to the full-precision counterpart. It also exhibits strong transfer learning performance with no drop in accuracy.

We bound the excess risk of interpolating deep linear networks trained using gradient flow. In a setting previously used to establish risk bounds for the minimum ell_2-norm interpolant, we show that randomly initialized deep linear networks can closely approximate or even match known bounds for the minimum ell_2-norm interpolant. Our analysis also reveals that interpolating deep linear models have exactly the same conditional variance as the minimum ell_2-norm solution. Since the noise affects the excess risk only through the conditional variance, this implies that depth does not improve the algorithm's ability to "hide the noise". Our simulations verify that aspects of our bounds reflect typical behavior for simple data distributions. We also find that similar phenomena are seen in simulations with ReLU networks, although the situation there is more nuanced.

Pretrained models are the standard starting point for training. This approach consistently outperforms the use of a random initialization. However, pretraining is a costly endeavour that few can undertake. In this paper, we create better base models at hardly any cost, by fusing multiple existing fine tuned models into one. Specifically, we fuse by averaging the weights of these models. We show that the fused model results surpass the pretrained model ones. We also show that fusing is often better than intertraining. We find that fusing is less dependent on the target task. Furthermore, weight decay nullifies intertraining effects but not those of fusing.

Following the traditional paradigm of convolutional neural networks (CNNs), modern CNNs manage to keep pace with more recent, for example transformer-based, models by not only increasing model depth and width but also the kernel size. This results in large amounts of learnable model parameters that need to be handled during training. While following the convolutional paradigm with the according spatial inductive bias, we question the significance of learned convolution filters. In fact, our findings demonstrate that many contemporary CNN architectures can achieve high test accuracies without ever updating randomly initialized (spatial) convolution filters. Instead, simple linear combinations (implemented through efficient 1times 1 convolutions) suffice to effectively recombine even random filters into expressive network operators. Furthermore, these combinations of random filters can implicitly regularize the resulting operations, mitigating overfitting and enhancing overall performance and robustness. Conversely, retaining the ability to learn filter updates can impair network performance. Lastly, although we only observe relatively small gains from learning 3times 3 convolutions, the learning gains increase proportionally with kernel size, owing to the non-idealities of the independent and identically distributed (i.i.d.) nature of default initialization techniques.

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce interference in A/B tests, where data generated by control and treatment algorithms, potentially with different distributions, are combined. To address these challenges, we introduce a novel approach called weighted training. This approach entails training a model to predict the probability of each data point appearing in either the treatment or control data and subsequently applying weighted losses during model training. We demonstrate that this approach achieves the least variance among all estimators that do not cause shifts in the training distributions. Through simulation studies, we demonstrate the lower bias and variance of our approach compared to other methods.

Most bandit algorithms assume that the reward variances or their upper bounds are known, and that they are the same for all arms. This naturally leads to suboptimal performance and higher regret due to variance overestimation. On the other hand, underestimated reward variances may lead to linear regret due to committing early to a suboptimal arm. This motivated prior works on variance-adaptive frequentist algorithms, which have strong instance-dependent regret bounds but cannot incorporate prior knowledge on reward variances. We lay foundations for the Bayesian setting, which incorporates prior knowledge. This results in lower regret in practice, due to using the prior in the algorithm design, and also improved regret guarantees. Specifically, we study Gaussian bandits with {unknown heterogeneous reward variances}, and develop a Thompson sampling algorithm with prior-dependent Bayes regret bounds. We achieve lower regret with lower reward variances and more informative priors on them, which is precisely why we pay only for what is uncertain. This is the first result of its kind. Finally, we corroborate our theory with extensive experiments, which show the superiority of our variance-adaptive Bayesian algorithm over prior frequentist approaches. We also show that our approach is robust to model misspecification and can be applied with estimated priors.

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

Low-rank adapters have become standard for efficiently fine-tuning large language models (LLMs), but they often fall short of achieving the performance of full fine-tuning. We propose a method, LoRA Silver Bullet or LoRA-SB, that approximates full fine-tuning within low-rank subspaces using a carefully designed initialization strategy. We theoretically demonstrate that the architecture of LoRA-XS, which inserts a learnable (r x r) matrix between B and A while keeping other matrices fixed, provides the precise conditions needed for this approximation. We leverage its constrained update space to achieve optimal scaling for high-rank gradient updates while removing the need for hyperparameter tuning. We prove that our initialization offers an optimal low-rank approximation of the initial gradient and preserves update directions throughout training. Extensive experiments across mathematical reasoning, commonsense reasoning, and language understanding tasks demonstrate that our approach exceeds the performance of standard LoRA while using 27-90 times fewer learnable parameters, and comprehensively outperforms LoRA-XS. Our findings establish that it is possible to simulate full fine-tuning in low-rank subspaces, and achieve significant efficiency gains without sacrificing performance. Our code is publicly available at https://github.com/RaghavSinghal10/lora-sb.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Recent advances in one-step generative models typically follow a two-stage process: first training a teacher diffusion model and then distilling it into a one-step student model. This distillation process traditionally relies on both the teacher model's score function to compute the distillation loss and its weights for student initialization. In this paper, we explore whether one-step generative models can be trained directly without this distillation process. First, we show that the teacher's score function is not essential and propose a family of distillation methods that achieve competitive results without relying on score estimation. Next, we demonstrate that initialization from teacher weights is indispensable in successful training. Surprisingly, we find that this benefit is not due to improved ``input-output" mapping but rather the learned feature representations, which dominate distillation quality. Our findings provide a better understanding of the role of initialization in one-step model training and its impact on distillation quality.

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

In modern neural networks like Transformers, linear layers require significant memory to store activations during backward pass. This study proposes a memory reduction approach to perform backpropagation through linear layers. Since the gradients of linear layers are computed by matrix multiplications, we consider methods for randomized matrix multiplications and demonstrate that they require less memory with a moderate decrease of the test accuracy. Also, we investigate the variance of the gradient estimate induced by the randomized matrix multiplication. We compare this variance with the variance coming from gradient estimation based on the batch of samples. We demonstrate the benefits of the proposed method on the fine-tuning of the pre-trained RoBERTa model on GLUE tasks.

A good initialization of deep learning models is essential since it can help them converge better and faster. However, pretraining large models is unaffordable for many researchers, which makes a desired prediction for initial parameters more necessary nowadays. Graph HyperNetworks (GHNs), one approach to predicting model parameters, have recently shown strong performance in initializing large vision models. Unfortunately, predicting parameters of very wide networks relies on copying small chunks of parameters multiple times and requires an extremely large number of parameters to support full prediction, which greatly hinders its adoption in practice. To address this limitation, we propose LoGAH (Low-rank GrAph Hypernetworks), a GHN with a low-rank parameter decoder that expands to significantly wider networks without requiring as excessive increase of parameters as in previous attempts. LoGAH allows us to predict the parameters of 774-million large neural networks in a memory-efficient manner. We show that vision and language models (i.e., ViT and GPT-2) initialized with LoGAH achieve better performance than those initialized randomly or using existing hypernetworks. Furthermore, we show promising transfer learning results w.r.t. training LoGAH on small datasets and using the predicted parameters to initialize for larger tasks. We provide the codes in https://github.com/Blackzxy/LoGAH .

As models for nature language processing (NLP), computer vision (CV) and recommendation systems (RS) require surging computation, a large number of GPUs/TPUs are paralleled as a large batch (LB) to improve training throughput. However, training such LB tasks often meets large generalization gap and downgrades final precision, which limits enlarging the batch size. In this work, we develop the variance reduced gradient descent technique (VRGD) based on the gradient signal to noise ratio (GSNR) and apply it onto popular optimizers such as SGD/Adam/LARS/LAMB. We carry out a theoretical analysis of convergence rate to explain its fast training dynamics, and a generalization analysis to demonstrate its smaller generalization gap on LB training. Comprehensive experiments demonstrate that VRGD can accelerate training (1sim 2 times), narrow generalization gap and improve final accuracy. We push the batch size limit of BERT pretraining up to 128k/64k and DLRM to 512k without noticeable accuracy loss. We improve ImageNet Top-1 accuracy at 96k by 0.52pp than LARS. The generalization gap of BERT and ImageNet training is significantly reduce by over 65%.

Modeling long-range dependencies across sequences is a longstanding goal in machine learning and has led to architectures, such as state space models, that dramatically outperform Transformers on long sequences. However, these impressive empirical gains have been by and large demonstrated on benchmarks (e.g. Long Range Arena), where models are randomly initialized and trained to predict a target label from an input sequence. In this work, we show that random initialization leads to gross overestimation of the differences between architectures and that pretraining with standard denoising objectives, using only the downstream task data, leads to dramatic gains across multiple architectures and to very small gaps between Transformers and state space models (SSMs). In stark contrast to prior works, we find vanilla Transformers to match the performance of S4 on Long Range Arena when properly pretrained, and we improve the best reported results of SSMs on the PathX-256 task by 20 absolute points. Subsequently, we analyze the utility of previously-proposed structured parameterizations for SSMs and show they become mostly redundant in the presence of data-driven initialization obtained through pretraining. Our work shows that, when evaluating different architectures on supervised tasks, incorporation of data-driven priors via pretraining is essential for reliable performance estimation, and can be done efficiently.

Large reasoning models (LRMs) generate intermediate reasoning traces before producing final answers, yielding strong gains on multi-step and mathematical tasks. Yet aligning LRMs with human preferences, a crucial prerequisite for model deployment, remains underexplored. The statistically correct objective for preference alignment requires marginalizing over reasoning traces, but this computation is intractable in practice. A common workaround optimizes a single sampled trajectory, which introduces substantial gradient variance from stochastic trace sampling. To address this challenge, we frame preference optimization for LRMs through the lens of the bias--variance trade-off and propose Bias--Variance Optimized Preference Optimization (BVPO), a simple, drop-in method that mixes two gradient estimators: a high-variance trace-based estimator and a low-variance empty-trace estimator obtained by disabling reasoning trace generation. Our theory shows that BVPO strictly reduces trace-induced variance for any nontrivial mixture, provides a closed-form choice of the mixing weight that minimizes mean-squared error relative to the true marginal gradient, and under standard smoothness and step-size conditions, tightens classical convergence bounds for stochastic gradient descent. Empirically, BVPO improves alignment over the best baseline by up to 7.8 points on AlpacaEval~2 and 6.8 points on Arena-Hard. Despite being trained only on general conversational data, BVPO also boosts reasoning performance for base models by up to 4.0 points on the average of six math reasoning benchmarks. These results identify variance from trace sampling as a key bottleneck and demonstrate that directly optimizing the bias--variance trade-off yields more stable training and stronger overall performance.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

Visual Autoregressive (VAR) modeling has gained popularity for its shift towards next-scale prediction. However, existing VAR paradigms process the entire token map at each scale step, leading to the complexity and runtime scaling dramatically with image resolution. To address this challenge, we propose FastVAR, a post-training acceleration method for efficient resolution scaling with VARs. Our key finding is that the majority of latency arises from the large-scale step where most tokens have already converged. Leveraging this observation, we develop the cached token pruning strategy that only forwards pivotal tokens for scale-specific modeling while using cached tokens from previous scale steps to restore the pruned slots. This significantly reduces the number of forwarded tokens and improves the efficiency at larger resolutions. Experiments show the proposed FastVAR can further speedup FlashAttention-accelerated VAR by 2.7times with negligible performance drop of <1%. We further extend FastVAR to zero-shot generation of higher resolution images. In particular, FastVAR can generate one 2K image with 15GB memory footprints in 1.5s on a single NVIDIA 3090 GPU. Code is available at https://github.com/csguoh/FastVAR.

Scaling visual generation models is essential for real-world content creation, yet requires substantial training and computational expenses. Alternatively, test-time scaling has garnered growing attention due to resource efficiency and promising performance. In this work, we present TTS-VAR, the first general test-time scaling framework for visual auto-regressive (VAR) models, modeling the generation process as a path searching problem. To dynamically balance computational efficiency with exploration capacity, we first introduce an adaptive descending batch size schedule throughout the causal generation process. Besides, inspired by VAR's hierarchical coarse-to-fine multi-scale generation, our framework integrates two key components: (i) At coarse scales, we observe that generated tokens are hard for evaluation, possibly leading to erroneous acceptance of inferior samples or rejection of superior samples. Noticing that the coarse scales contain sufficient structural information, we propose clustering-based diversity search. It preserves structural variety through semantic feature clustering, enabling later selection on samples with higher potential. (ii) In fine scales, resampling-based potential selection prioritizes promising candidates using potential scores, which are defined as reward functions incorporating multi-scale generation history. Experiments on the powerful VAR model Infinity show a notable 8.7% GenEval score improvement (from 0.69 to 0.75). Key insights reveal that early-stage structural features effectively influence final quality, and resampling efficacy varies across generation scales. Code is available at https://github.com/ali-vilab/TTS-VAR.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

Since compute grows much faster than web text available for language model pre-training, we ask how one should approach pre-training under fixed data and no compute constraints. We first show that existing data-constrained approaches of increasing epoch count and parameter count eventually overfit, and we significantly improve upon such recipes by properly tuning regularization, finding that the optimal weight decay is 30times larger than standard practice. Since our regularized recipe monotonically decreases loss following a simple power law in parameter count, we estimate its best possible performance via the asymptote of its scaling law rather than the performance at a fixed compute budget. We then identify that ensembling independently trained models achieves a significantly lower loss asymptote than the regularized recipe. Our best intervention combining epoching, regularization, parameter scaling, and ensemble scaling achieves an asymptote at 200M tokens using 5.17times less data than our baseline, and our data scaling laws predict that this improvement persists at higher token budgets. We find that our data efficiency gains can be realized at much smaller parameter counts as we can distill an ensemble into a student model that is 8times smaller and retains 83% of the ensembling benefit. Finally, our interventions designed for validation loss generalize to downstream benchmarks, achieving a 9% improvement for pre-training evals and a 17.5times data efficiency improvement over continued pre-training on math mid-training data. Our results show that simple algorithmic improvements can enable significantly more data-efficient pre-training in a compute-rich future.

Recently, multi-expert methods have led to significant improvements in long-tail recognition (LTR). We summarize two aspects that need further enhancement to contribute to LTR boosting: (1) More diverse experts; (2) Lower model variance. However, the previous methods didn't handle them well. To this end, we propose More Diverse experts with Consistency Self-distillation (MDCS) to bridge the gap left by earlier methods. Our MDCS approach consists of two core components: Diversity Loss (DL) and Consistency Self-distillation (CS). In detail, DL promotes diversity among experts by controlling their focus on different categories. To reduce the model variance, we employ KL divergence to distill the richer knowledge of weakly augmented instances for the experts' self-distillation. In particular, we design Confident Instance Sampling (CIS) to select the correctly classified instances for CS to avoid biased/noisy knowledge. In the analysis and ablation study, we demonstrate that our method compared with previous work can effectively increase the diversity of experts, significantly reduce the variance of the model, and improve recognition accuracy. Moreover, the roles of our DL and CS are mutually reinforcing and coupled: the diversity of experts benefits from the CS, and the CS cannot achieve remarkable results without the DL. Experiments show our MDCS outperforms the state-of-the-art by 1% sim 2% on five popular long-tailed benchmarks, including CIFAR10-LT, CIFAR100-LT, ImageNet-LT, Places-LT, and iNaturalist 2018. The code is available at https://github.com/fistyee/MDCS.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Learning to generate neural network parameters conditioned on task descriptions and architecture specifications is pivotal for advancing model adaptability and transfer learning. Existing methods especially those based on diffusion models suffer from limited scalability to large architectures, rigidity in handling varying network depths, and disjointed parameter generation that undermines inter-layer coherence. In this work, we propose IGPG (Instruction Guided Parameter Generation), an autoregressive framework that unifies parameter synthesis across diverse tasks and architectures. IGPG leverages a VQ-VAE and an autoregressive model to generate neural network parameters, conditioned on task instructions, dataset, and architecture details. By autoregressively generating neural network weights' tokens, IGPG ensures inter-layer coherence and enables efficient adaptation across models and datasets. Operating at the token level, IGPG effectively captures complex parameter distributions aggregated from a broad spectrum of pretrained models. Extensive experiments on multiple vision datasets demonstrate that IGPG consolidates diverse pretrained models into a single, flexible generative framework. The synthesized parameters achieve competitive or superior performance relative to state-of-the-art methods, especially in terms of scalability and efficiency when applied to large architectures. These results underscore ICPG potential as a powerful tool for pretrained weight retrieval, model selection, and rapid task-specific fine-tuning.

Robustness to natural distribution shifts has seen remarkable progress thanks to recent pre-training strategies combined with better fine-tuning methods. However, such fine-tuning assumes access to large amounts of labelled data, and the extent to which the observations hold when the amount of training data is not as high remains unknown. We address this gap by performing the first in-depth study of robustness to various natural distribution shifts in different low-shot regimes: spanning datasets, architectures, pre-trained initializations, and state-of-the-art robustness interventions. Most importantly, we find that there is no single model of choice that is often more robust than others, and existing interventions can fail to improve robustness on some datasets even if they do so in the full-shot regime. We hope that our work will motivate the community to focus on this problem of practical importance.

Ensembling is among the most popular tools in machine learning (ML) due to its effectiveness in minimizing variance and thus improving generalization. Most ensembling methods for black-box base learners fall under the umbrella of "stacked generalization," namely training an ML algorithm that takes the inferences from the base learners as input. While stacking has been widely applied in practice, its theoretical properties are poorly understood. In this paper, we prove a novel result, showing that choosing the best stacked generalization from a (finite or finite-dimensional) family of stacked generalizations based on cross-validated performance does not perform "much worse" than the oracle best. Our result strengthens and significantly extends the results in Van der Laan et al. (2007). Inspired by the theoretical analysis, we further propose a particular family of stacked generalizations in the context of probabilistic forecasting, each one with a different sensitivity for how much the ensemble weights are allowed to vary across items, timestamps in the forecast horizon, and quantiles. Experimental results demonstrate the performance gain of the proposed method.

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.

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation E[Y|X] and the conditional variance Var(Y|X). This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes-optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window S, we prove a generalization bound of mathcal{O}(min{S, T/(n T)}) on n tasks with sequences of length T, providing sharper analysis compared to previous results of mathcal{O}(1/n). Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the equivalence between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariates shift and prompt-length shift and interpret them as a generalization over a meta distribution.

Introduced by Hinton et al. in 2012, dropout has stood the test of time as a regularizer for preventing overfitting in neural networks. In this study, we demonstrate that dropout can also mitigate underfitting when used at the start of training. During the early phase, we find dropout reduces the directional variance of gradients across mini-batches and helps align the mini-batch gradients with the entire dataset's gradient. This helps counteract the stochasticity of SGD and limit the influence of individual batches on model training. Our findings lead us to a solution for improving performance in underfitting models - early dropout: dropout is applied only during the initial phases of training, and turned off afterwards. Models equipped with early dropout achieve lower final training loss compared to their counterparts without dropout. Additionally, we explore a symmetric technique for regularizing overfitting models - late dropout, where dropout is not used in the early iterations and is only activated later in training. Experiments on ImageNet and various vision tasks demonstrate that our methods consistently improve generalization accuracy. Our results encourage more research on understanding regularization in deep learning and our methods can be useful tools for future neural network training, especially in the era of large data. Code is available at https://github.com/facebookresearch/dropout.

Decoder-only Transformers often struggle with complex reasoning tasks, particularly arithmetic reasoning requiring multiple sequential operations. In this work, we identify representation collapse in the model's intermediate layers as a key factor limiting their reasoning capabilities. To address this, we propose Sequential Variance-Covariance Regularization (Seq-VCR), which enhances the entropy of intermediate representations and prevents collapse. Combined with dummy pause tokens as substitutes for chain-of-thought (CoT) tokens, our method significantly improves performance in arithmetic reasoning problems. In the challenging 5 times 5 integer multiplication task, our approach achieves 99.5% exact match accuracy, outperforming models of the same size (which yield 0% accuracy) and GPT-4 with five-shot CoT prompting (44%). We also demonstrate superior results on arithmetic expression and longest increasing subsequence (LIS) datasets. Our findings highlight the importance of preventing intermediate layer representation collapse to enhance the reasoning capabilities of Transformers and show that Seq-VCR offers an effective solution without requiring explicit CoT supervision.

As hyperparameter tuning becomes increasingly costly at scale, efficient tuning methods are essential. Yet principles for guiding hyperparameter tuning remain limited. In this work, we seek to establish such principles by considering a broad range of hyperparameters, including batch size, learning rate, and weight decay. We identify a phenomenon we call trajectory invariance, where pre-training loss curves, gradient noise, and gradient norm exhibit invariance--closely overlapping--with respect to a quantity that combines learning rate and weight decay. This phenomenon effectively reduces the original two-dimensional hyperparameter space to one dimension, yielding an efficient tuning rule: follow the salient direction revealed by trajectory invariance. Furthermore, we refine previous scaling laws and challenge several existing viewpoints. Overall, our work proposes new principles for efficient tuning and inspires future research on scaling laws.

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.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

With the rapid growth in model size, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usage, the primary memory bottleneck during training arises from storing feature maps, also known as activations, as they are crucial for gradient calculation. Notably, neural networks are usually trained using stochastic gradient descent. We argue that in stochastic optimization, models can handle noisy gradients as long as the gradient estimator is unbiased with reasonable variance. Following this motivation, we propose a new family of unbiased estimators called WTA-CRS, for matrix production with reduced variance, which only requires storing the sub-sampled activations for calculating the gradient. Our work provides both theoretical and experimental evidence that, in the context of tuning transformers, our proposed estimators exhibit lower variance compared to existing ones. By replacing the linear operation with our approximated one in transformers, we can achieve up to 2.7times peak memory reduction with almost no accuracy drop and enables up to 6.4times larger batch size. Under the same hardware, WTA-CRS enables better down-streaming task performance by applying larger models and/or faster training speed with larger batch sizes.

We propose a method to enhance 3D Gaussian Splatting (3DGS)~Kerbl2023, addressing challenges in initialization, optimization, and density control. Gaussian Splatting is an alternative for rendering realistic images while supporting real-time performance, and it has gained popularity due to its explicit 3D Gaussian representation. However, 3DGS heavily depends on accurate initialization and faces difficulties in optimizing unstructured Gaussian distributions into ordered surfaces, with limited adaptive density control mechanism proposed so far. Our first key contribution is a geometry-guided initialization to predict Gaussian parameters, ensuring precise placement and faster convergence. We then introduce a surface-aligned optimization strategy to refine Gaussian placement, improving geometric accuracy and aligning with the surface normals of the scene. Finally, we present a dynamic adaptive density control mechanism that adjusts Gaussian density based on regional complexity, for visual fidelity. These innovations enable our method to achieve high-fidelity real-time rendering and significant improvements in visual quality, even in complex scenes. Our method demonstrates comparable or superior results to state-of-the-art methods, rendering high-fidelity images in real time.

Exemplar-free class-incremental learning (EFCIL) presents a significant challenge as the old class samples are absent for new task learning. Due to the severe imbalance between old and new class samples, the learned classifiers can be easily biased toward the new ones. Moreover, continually updating the feature extractor under EFCIL can compromise the discriminative power of old class features, e.g., leading to less compact and more overlapping distributions across classes. Existing methods mainly focus on handling biased classifier learning. In this work, both cases are considered using the proposed method. Specifically, we first introduce a Distribution-Based Global Classifier (DBGC) to avoid bias factors in existing methods, such as data imbalance and sampling. More importantly, the compromised distributions of old classes are simulated via a simple operation, variance enlarging (VE). Incorporating VE based on DBGC results in a novel classification loss for EFCIL. This loss is proven equivalent to an Adaptive Margin Softmax Cross Entropy (AMarX). The proposed method is thus called Adaptive Margin Global Classifier (AMGC). AMGC is simple yet effective. Extensive experiments show that AMGC achieves superior image classification results on its own under a challenging EFCIL setting. Detailed analysis is also provided for further demonstration.

We propose a multitask pretraining approach ZeroPrompt for zero-shot generalization, focusing on task scaling and zero-shot prompting. While previous models are trained on only a few dozen tasks, we scale to 1,000 tasks for the first time using real-world data. This leads to a crucial discovery that task scaling can be an efficient alternative to model scaling; i.e., the model size has little impact on performance with an extremely large number of tasks. Our results show that task scaling can substantially improve training efficiency by 30 times in FLOPs. Moreover, we present a prompting method that incorporates a genetic algorithm to automatically search for the best prompt for unseen tasks, along with a few other improvements. Empirically, ZeroPrompt substantially improves both the efficiency and the performance of zero-shot learning across a variety of academic and production datasets.

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular data. We explore generative extensions of these popular algorithms with a focus on explicitly modeling the data density (up to a normalization constant), thus enabling other applications besides sampling. As our main contribution we propose an energy-based generative boosting algorithm that is analogous to the second order boosting implemented in popular packages like XGBoost. We show that, despite producing a generative model capable of handling inference tasks over any input variable, our proposed algorithm can achieve similar discriminative performance to GBDT on a number of real world tabular datasets, outperforming alternative generative approaches. At the same time, we show that it is also competitive with neural network based models for sampling.

Randomized ensemble classifiers (RECs), where one classifier is randomly selected during inference, have emerged as an attractive alternative to traditional ensembling methods for realizing adversarially robust classifiers with limited compute requirements. However, recent works have shown that existing methods for constructing RECs are more vulnerable than initially claimed, casting major doubts on their efficacy and prompting fundamental questions such as: "When are RECs useful?", "What are their limits?", and "How do we train them?". In this work, we first demystify RECs as we derive fundamental results regarding their theoretical limits, necessary and sufficient conditions for them to be useful, and more. Leveraging this new understanding, we propose a new boosting algorithm (BARRE) for training robust RECs, and empirically demonstrate its effectiveness at defending against strong ell_infty norm-bounded adversaries across various network architectures and datasets. Our code can be found at https://github.com/hsndbk4/BARRE.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

Fine-tuning large-scale pretrained models is prohibitively expensive in terms of computational and memory costs. LoRA, as one of the most popular Parameter-Efficient Fine-Tuning (PEFT) methods, offers a cost-effective alternative by fine-tuning an auxiliary low-rank model that has significantly fewer parameters. Although LoRA reduces the computational and memory requirements significantly at each iteration, extensive empirical evidence indicates that it converges at a considerably slower rate compared to full fine-tuning, ultimately leading to increased overall compute and often worse test performance. In our paper, we perform an in-depth investigation of the initialization method of LoRA and show that careful initialization (without any change of the architecture and the training algorithm) can significantly enhance both efficiency and performance. In particular, we introduce a novel initialization method, LoRA-GA (Low Rank Adaptation with Gradient Approximation), which aligns the gradients of low-rank matrix product with those of full fine-tuning at the first step. Our extensive experiments demonstrate that LoRA-GA achieves a convergence rate comparable to that of full fine-tuning (hence being significantly faster than vanilla LoRA as well as various recent improvements) while simultaneously attaining comparable or even better performance. For example, on the subset of the GLUE dataset with T5-Base, LoRA-GA outperforms LoRA by 5.69% on average. On larger models such as Llama 2-7B, LoRA-GA shows performance improvements of 0.34, 11.52%, and 5.05% on MT-bench, GSM8K, and Human-eval, respectively. Additionally, we observe up to 2-4 times convergence speed improvement compared to vanilla LoRA, validating its effectiveness in accelerating convergence and enhancing model performance. Code is available at https://github.com/Outsider565/LoRA-GA.

Pretraining a neural network on a large dataset is becoming a cornerstone in machine learning that is within the reach of only a few communities with large-resources. We aim at an ambitious goal of democratizing pretraining. Towards that goal, we train and release a single neural network that can predict high quality ImageNet parameters of other neural networks. By using predicted parameters for initialization we are able to boost training of diverse ImageNet models available in PyTorch. When transferred to other datasets, models initialized with predicted parameters also converge faster and reach competitive final performance.

The ability to learn new concepts continually is necessary in this ever-changing world. However, deep neural networks suffer from catastrophic forgetting when learning new categories. Many works have been proposed to alleviate this phenomenon, whereas most of them either fall into the stability-plasticity dilemma or take too much computation or storage overhead. Inspired by the gradient boosting algorithm to gradually fit the residuals between the target model and the previous ensemble model, we propose a novel two-stage learning paradigm FOSTER, empowering the model to learn new categories adaptively. Specifically, we first dynamically expand new modules to fit the residuals between the target and the output of the original model. Next, we remove redundant parameters and feature dimensions through an effective distillation strategy to maintain the single backbone model. We validate our method FOSTER on CIFAR-100 and ImageNet-100/1000 under different settings. Experimental results show that our method achieves state-of-the-art performance. Code is available at: https://github.com/G-U-N/ECCV22-FOSTER.

Recent advances in text-to-image generative models have enabled numerous practical applications, including subject-driven generation, which fine-tunes pretrained models to capture subject semantics from only a few examples. While diffusion-based models produce high-quality images, their extensive denoising steps result in significant computational overhead, limiting real-world applicability. Visual autoregressive~(VAR) models, which predict next-scale tokens rather than spatially adjacent ones, offer significantly faster inference suitable for practical deployment. In this paper, we propose the first VAR-based approach for subject-driven generation. However, na\"{\i}ve fine-tuning VAR leads to computational overhead, language drift, and reduced diversity. To address these challenges, we introduce selective layer tuning to reduce complexity and prior distillation to mitigate language drift. Additionally, we found that the early stages have a greater influence on the generation of subject than the latter stages, which merely synthesize local details. Based on this finding, we propose scale-wise weighted tuning, which prioritizes coarser resolutions for promoting the model to focus on the subject-relevant information instead of local details. Extensive experiments validate that our method significantly outperforms diffusion-based baselines across various metrics and demonstrates its practical usage.

This paper first answers the question "why do the two most powerful techniques Dropout and Batch Normalization (BN) often lead to a worse performance when they are combined together?" in both theoretical and statistical aspects. Theoretically, we find that Dropout would shift the variance of a specific neural unit when we transfer the state of that network from train to test. However, BN would maintain its statistical variance, which is accumulated from the entire learning procedure, in the test phase. The inconsistency of that variance (we name this scheme as "variance shift") causes the unstable numerical behavior in inference that leads to more erroneous predictions finally, when applying Dropout before BN. Thorough experiments on DenseNet, ResNet, ResNeXt and Wide ResNet confirm our findings. According to the uncovered mechanism, we next explore several strategies that modifies Dropout and try to overcome the limitations of their combination by avoiding the variance shift risks.

The lottery ticket hypothesis (LTH) has increased attention to pruning neural networks at initialization. We study this problem in the linear setting. We show that finding a sparse mask at initialization is equivalent to the sketching problem introduced for efficient matrix multiplication. This gives us tools to analyze the LTH problem and gain insights into it. Specifically, using the mask found at initialization, we bound the approximation error of the pruned linear model at the end of training. We theoretically justify previous empirical evidence that the search for sparse networks may be data independent. By using the sketching perspective, we suggest a generic improvement to existing algorithms for pruning at initialization, which we show to be beneficial in the data-independent case.

Good weight initialization serves as an effective measure to reduce the training cost of a deep neural network (DNN) model. The choice of how to initialize parameters is challenging and may require manual tuning, which can be time-consuming and prone to human error. To overcome such limitations, this work takes a novel step towards building a weight generator to synthesize the neural weights for initialization. We use the image-to-image translation task with generative adversarial networks (GANs) as an example due to the ease of collecting model weights spanning a wide range. Specifically, we first collect a dataset with various image editing concepts and their corresponding trained weights, which are later used for the training of the weight generator. To address the different characteristics among layers and the substantial number of weights to be predicted, we divide the weights into equal-sized blocks and assign each block an index. Subsequently, a diffusion model is trained with such a dataset using both text conditions of the concept and the block indexes. By initializing the image translation model with the denoised weights predicted by our diffusion model, the training requires only 43.3 seconds. Compared to training from scratch (i.e., Pix2pix), we achieve a 15x training time acceleration for a new concept while obtaining even better image generation quality.

Recently, bound propagation based certified robust training methods have been proposed for training neural networks with certifiable robustness guarantees. Despite that state-of-the-art (SOTA) methods including interval bound propagation (IBP) and CROWN-IBP have per-batch training complexity similar to standard neural network training, they usually use a long warmup schedule with hundreds or thousands epochs to reach SOTA performance and are thus still costly. In this paper, we identify two important issues in existing methods, namely exploded bounds at initialization, and the imbalance in ReLU activation states and improve IBP training. These two issues make certified training difficult and unstable, and thereby long warmup schedules were needed in prior works. To mitigate these issues and conduct faster certified training with shorter warmup, we propose three improvements based on IBP training: 1) We derive a new weight initialization method for IBP training; 2) We propose to fully add Batch Normalization (BN) to each layer in the model, since we find BN can reduce the imbalance in ReLU activation states; 3) We also design regularization to explicitly tighten certified bounds and balance ReLU activation states during wamrup. We are able to obtain 65.03% verified error on CIFAR-10 (epsilon=8{255}) and 82.36% verified error on TinyImageNet (epsilon=1{255}) using very short training schedules (160 and 80 total epochs, respectively), outperforming literature SOTA trained with hundreds or thousands epochs under the same network architecture. The code is available at https://github.com/shizhouxing/Fast-Certified-Robust-Training.

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.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

In this work, we study the performance of sub-gradient method (SubGM) on a natural nonconvex and nonsmooth formulation of low-rank matrix recovery with ell_1-loss, where the goal is to recover a low-rank matrix from a limited number of measurements, a subset of which may be grossly corrupted with noise. We study a scenario where the rank of the true solution is unknown and over-estimated instead. The over-estimation of the rank gives rise to an over-parameterized model in which there are more degrees of freedom than needed. Such over-parameterization may lead to overfitting, or adversely affect the performance of the algorithm. We prove that a simple SubGM with small initialization is agnostic to both over-parameterization and noise in the measurements. In particular, we show that small initialization nullifies the effect of over-parameterization on the performance of SubGM, leading to an exponential improvement in its convergence rate. Moreover, we provide the first unifying framework for analyzing the behavior of SubGM under both outlier and Gaussian noise models, showing that SubGM converges to the true solution, even under arbitrarily large and arbitrarily dense noise values, and--perhaps surprisingly--even if the globally optimal solutions do not correspond to the ground truth. At the core of our results is a robust variant of restricted isometry property, called Sign-RIP, which controls the deviation of the sub-differential of the ell_1-loss from that of an ideal, expected loss. As a byproduct of our results, we consider a subclass of robust low-rank matrix recovery with Gaussian measurements, and show that the number of required samples to guarantee the global convergence of SubGM is independent of the over-parameterized rank.

The current paradigm of large-scale pre-training and fine-tuning Transformer large language models has lead to significant improvements across the board in natural language processing. However, such large models are susceptible to overfitting to their training data, and as a result the models perform poorly when the domain changes. Also, due to the model's scale, the cost of fine-tuning the model to the new domain is large. Nonparametric Variational Information Bottleneck (NVIB) has been proposed as a regulariser for training cross-attention in Transformers, potentially addressing the overfitting problem. We extend the NVIB framework to replace all types of attention functions in Transformers, and show that existing pretrained Transformers can be reinterpreted as Nonparametric Variational (NV) models using a proposed identity initialisation. We then show that changing the initialisation introduces a novel, information-theoretic post-training regularisation in the attention mechanism, which improves out-of-domain generalisation without any training. This success supports the hypothesis that pretrained Transformers are implicitly NV Bayesian models.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

The learning rate warmup heuristic achieves remarkable success in stabilizing training, accelerating convergence and improving generalization for adaptive stochastic optimization algorithms like RMSprop and Adam. Here, we study its mechanism in details. Pursuing the theory behind warmup, we identify a problem of the adaptive learning rate (i.e., it has problematically large variance in the early stage), suggest warmup works as a variance reduction technique, and provide both empirical and theoretical evidence to verify our hypothesis. We further propose RAdam, a new variant of Adam, by introducing a term to rectify the variance of the adaptive learning rate. Extensive experimental results on image classification, language modeling, and neural machine translation verify our intuition and demonstrate the effectiveness and robustness of our proposed method. All implementations are available at: https://github.com/LiyuanLucasLiu/RAdam.

The exponential growth in numbers of parameters of neural networks over the past years has been accompanied by an increase in performance across several fields. However, due to their sheer size, the networks not only became difficult to interpret but also problematic to train and use in real-world applications, since hardware requirements increased accordingly. Tackling both issues, we present a novel approach that either drops a neural network's initial weights or inverts their respective sign. Put simply, a network is trained by weight selection and inversion without changing their absolute values. Our contribution extends previous work on masking by additionally sign-inverting the initial weights and follows the findings of the Lottery Ticket Hypothesis. Through this extension and adaptations of initialization methods, we achieve a pruning rate of up to 99%, while still matching or exceeding the performance of various baseline and previous models. Our approach has two main advantages. First, and most notable, signed Supermask models drastically simplify a model's structure, while still performing well on given tasks. Second, by reducing the neural network to its very foundation, we gain insights into which weights matter for performance. The code is available on GitHub.

While 3D Gaussian Splatting has recently become popular for neural rendering, current methods rely on carefully engineered cloning and splitting strategies for placing Gaussians, which can lead to poor-quality renderings, and reliance on a good initialization. In this work, we rethink the set of 3D Gaussians as a random sample drawn from an underlying probability distribution describing the physical representation of the scene-in other words, Markov Chain Monte Carlo (MCMC) samples. Under this view, we show that the 3D Gaussian updates can be converted as Stochastic Gradient Langevin Dynamics (SGLD) updates by simply introducing noise. We then rewrite the densification and pruning strategies in 3D Gaussian Splatting as simply a deterministic state transition of MCMC samples, removing these heuristics from the framework. To do so, we revise the 'cloning' of Gaussians into a relocalization scheme that approximately preserves sample probability. To encourage efficient use of Gaussians, we introduce a regularizer that promotes the removal of unused Gaussians. On various standard evaluation scenes, we show that our method provides improved rendering quality, easy control over the number of Gaussians, and robustness to initialization.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

Can we modify the training data distribution to encourage the underlying optimization method toward finding solutions with superior generalization performance on in-distribution data? In this work, we approach this question for the first time by comparing the inductive bias of gradient descent (GD) with that of sharpness-aware minimization (SAM). By studying a two-layer CNN, we rigorously prove that SAM learns different features more uniformly, particularly in early epochs. That is, SAM is less susceptible to simplicity bias compared to GD. We also show that examples containing features that are learned early are separable from the rest based on the model's output. Based on this observation, we propose a method that (i) clusters examples based on the network output early in training, (ii) identifies a cluster of examples with similar network output, and (iii) upsamples the rest of examples only once to alleviate the simplicity bias. We show empirically that USEFUL effectively improves the generalization performance on the original data distribution when training with various gradient methods, including (S)GD and SAM. Notably, we demonstrate that our method can be combined with SAM variants and existing data augmentation strategies to achieve, to the best of our knowledge, state-of-the-art performance for training ResNet18 on CIFAR10, STL10, CINIC10, Tiny-ImageNet; ResNet34 on CIFAR100; and VGG19 and DenseNet121 on CIFAR10.

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius in this context is a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, i.e. its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. To increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.

Generative models trained on extensive high-quality datasets effectively capture the structural and statistical properties of clean images, rendering them powerful priors for transforming degraded features into clean ones in image restoration. VAR, a novel image generative paradigm, surpasses diffusion models in generation quality by applying a next-scale prediction approach. It progressively captures both global structures and fine-grained details through the autoregressive process, consistent with the multi-scale restoration principle widely acknowledged in the restoration community. Furthermore, we observe that during the image reconstruction process utilizing VAR, scale predictions automatically modulate the input, facilitating the alignment of representations at subsequent scales with the distribution of clean images. To harness VAR's adaptive distribution alignment capability in image restoration tasks, we formulate the multi-scale latent representations within VAR as the restoration prior, thus advancing our delicately designed VarFormer framework. The strategic application of these priors enables our VarFormer to achieve remarkable generalization on unseen tasks while also reducing training computational costs. Extensive experiments underscores that our VarFormer outperforms existing multi-task image restoration methods across various restoration tasks.

Multimodal learning often encounters the under-optimized problem and may perform worse than unimodal learning. Existing approaches attribute this issue to imbalanced learning across modalities and tend to address it through gradient balancing. However, this paper argues that balanced learning is not the optimal setting for multimodal learning. With bias-variance analysis, we prove that imbalanced dependency on each modality obeying the inverse ratio of their variances contributes to optimal performance. To this end, we propose the Asymmetric Representation Learning(ARL) strategy to assist multimodal learning via imbalanced optimization. ARL introduces auxiliary regularizers for each modality encoder to calculate their prediction variance. ARL then calculates coefficients via the unimodal variance to re-weight the optimization of each modality, forcing the modality dependence ratio to be inversely proportional to the modality variance ratio. Moreover, to minimize the generalization error, ARL further introduces the prediction bias of each modality and jointly optimizes them with multimodal loss. Notably, all auxiliary regularizers share parameters with the multimodal model and rely only on the modality representation. Thus the proposed ARL strategy introduces no extra parameters and is independent of the structures and fusion methods of the multimodal model. Finally, extensive experiments on various datasets validate the effectiveness and versatility of ARL. Code is available at https://github.com/shicaiwei123/ICCV2025-ARL{https://github.com/shicaiwei123/ICCV2025-ARL}

We introduce new methods for 1) accelerating and 2) stabilizing training for large language-vision models. 1) For acceleration, we introduce SwitchBack, a linear layer for int8 quantized training which provides a speed-up of 13-25% while matching the performance of bfloat16 training within 0.1 percentage points for the 1B parameter CLIP ViT-Huge -- the largest int8 training to date. Our main focus is int8 as GPU support for float8 is rare, though we also analyze float8 training through simulation. While SwitchBack proves effective for float8, we show that standard techniques are also successful if the network is trained and initialized so that large feature magnitudes are discouraged, which we accomplish via layer-scale initialized with zeros. 2) For stability, we analyze loss spikes and find they consistently occur 1-8 iterations after the squared gradients become under-estimated by their AdamW second moment estimator. As a result, we recommend an AdamW-Adafactor hybrid which avoids loss spikes when training a CLIP ViT-Huge model and outperforms gradient clipping at the scales we test.

We consider the problem of Learning from Label Proportions (LLP), a weakly supervised classification setup where instances are grouped into "bags", and only the frequency of class labels at each bag is available. Albeit, the objective of the learner is to achieve low task loss at an individual instance level. Here we propose Easyllp: a flexible and simple-to-implement debiasing approach based on aggregate labels, which operates on arbitrary loss functions. Our technique allows us to accurately estimate the expected loss of an arbitrary model at an individual level. We showcase the flexibility of our approach by applying it to popular learning frameworks, like Empirical Risk Minimization (ERM) and Stochastic Gradient Descent (SGD) with provable guarantees on instance level performance. More concretely, we exhibit a variance reduction technique that makes the quality of LLP learning deteriorate only by a factor of k (k being bag size) in both ERM and SGD setups, as compared to full supervision. Finally, we validate our theoretical results on multiple datasets demonstrating our algorithm performs as well or better than previous LLP approaches in spite of its simplicity.

Understanding alignment techniques begins with comprehending zero-shot generalization brought by instruction tuning, but little of the mechanism has been understood. Existing work has largely been confined to the task level, without considering that tasks are artificially defined and, to LLMs, merely consist of tokens and representations. To bridge this gap, we investigate zero-shot generalization from the perspective of the data itself. We first demonstrate that zero-shot generalization happens very early during instruction tuning, with loss serving as a stable indicator. Next, we investigate training data arrangement through similarity and granularity perspectives, confirming that the timing of exposure to certain training examples may greatly facilitate generalization on unseen tasks. Finally, we propose a more grounded training data arrangement framework, Test-centric Multi-turn Arrangement, and show its effectiveness in promoting continual learning and further loss reduction. For the first time, we show that zero-shot generalization during instruction tuning is a form of similarity-based generalization between training and test data at the instance level. Our code is released at https://github.com/thunlp/Dynamics-of-Zero-Shot-Generalization.

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

A proper initialization of the weights in a neural network is critical to its convergence. Current insights into weight initialization come primarily from linear activation functions. In this paper, I develop a theory for weight initializations with non-linear activations. First, I derive a general weight initialization strategy for any neural network using activation functions differentiable at 0. Next, I derive the weight initialization strategy for the Rectified Linear Unit (RELU), and provide theoretical insights into why the Xavier initialization is a poor choice with RELU activations. My analysis provides a clear demonstration of the role of non-linearities in determining the proper weight initializations.

The lack of adversarial robustness has been recognized as an important issue for state-of-the-art machine learning (ML) models, e.g., deep neural networks (DNNs). Thereby, robustifying ML models against adversarial attacks is now a major focus of research. However, nearly all existing defense methods, particularly for robust training, made the white-box assumption that the defender has the access to the details of an ML model (or its surrogate alternatives if available), e.g., its architectures and parameters. Beyond existing works, in this paper we aim to address the problem of black-box defense: How to robustify a black-box model using just input queries and output feedback? Such a problem arises in practical scenarios, where the owner of the predictive model is reluctant to share model information in order to preserve privacy. To this end, we propose a general notion of defensive operation that can be applied to black-box models, and design it through the lens of denoised smoothing (DS), a first-order (FO) certified defense technique. To allow the design of merely using model queries, we further integrate DS with the zeroth-order (gradient-free) optimization. However, a direct implementation of zeroth-order (ZO) optimization suffers a high variance of gradient estimates, and thus leads to ineffective defense. To tackle this problem, we next propose to prepend an autoencoder (AE) to a given (black-box) model so that DS can be trained using variance-reduced ZO optimization. We term the eventual defense as ZO-AE-DS. In practice, we empirically show that ZO-AE- DS can achieve improved accuracy, certified robustness, and query complexity over existing baselines. And the effectiveness of our approach is justified under both image classification and image reconstruction tasks. Codes are available at https://github.com/damon-demon/Black-Box-Defense.

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.

Stable pre-training is essential for achieving better-performing language models. However, tracking pre-training stability by calculating gradient variance at every step is impractical due to the significant computational costs. We explore Token Embedding Variability (TEV) as a simple and efficient proxy for assessing pre-training stability in language models with pre-layer normalization, given that shallower layers are more prone to gradient explosion (section 2.2). Moreover, we propose Multi-head Low-Rank Attention (MLRA) as an architecture to alleviate such instability by limiting the exponential growth of output embedding variance, thereby preventing the gradient explosion (section 3.2). Empirical results on GPT-2 with MLRA demonstrate increased stability and lower perplexity, particularly in deeper models.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

Prompt tuning is a parameter-efficient method, which learns soft prompts and conditions frozen language models to perform specific downstream tasks. Though effective, prompt tuning under few-shot settings on the one hand heavily relies on a good initialization of soft prompts. On the other hand, it can easily overfit to few-shot training samples, thereby undermining generalizability. Existing works leverage pre-training or supervised meta-learning to initialize soft prompts but they fail to data-efficiently generalize to unseen downstream tasks. To address the above problems, this paper proposes a novel Self-sUpervised meta-Prompt learning framework with MEta-gradient Regularization for few-shot generalization (SUPMER). SUPMER leverages self-supervised meta-learning with a diverse set of well-designed meta-training tasks to learn a universal prompt initialization for efficient adaptation using only unlabeled data. Additionally, it jointly meta-learns a gradient regularization function to transform raw gradients into a domain-generalizable direction, thus alleviating the problem of overfitting. Extensive experiments show that SUPMER achieves better performance for different few-shot downstream tasks, and also exhibits a stronger domain generalization ability. The code for SUPMER will be available at https://github.com/beepkh/SUPMER.

Foundational image-language models have generated considerable interest due to their efficient adaptation to downstream tasks by prompt learning. Prompt learning treats part of the language model input as trainable while freezing the rest, and optimizes an Empirical Risk Minimization objective. However, Empirical Risk Minimization is known to suffer from distributional shifts which hurt generalizability to prompts unseen during training. By leveraging the regularization ability of Bayesian methods, we frame prompt learning from the Bayesian perspective and formulate it as a variational inference problem. Our approach regularizes the prompt space, reduces overfitting to the seen prompts and improves the prompt generalization on unseen prompts. Our framework is implemented by modeling the input prompt space in a probabilistic manner, as an a priori distribution which makes our proposal compatible with prompt learning approaches that are unconditional or conditional on the image. We demonstrate empirically on 15 benchmarks that Bayesian prompt learning provides an appropriate coverage of the prompt space, prevents learning spurious features, and exploits transferable invariant features. This results in better generalization of unseen prompts, even across different datasets and domains. Code available at: https://github.com/saic-fi/Bayesian-Prompt-Learning

While instruction-tuned language models have demonstrated impressive zero-shot generalization, these models often struggle to generate accurate responses when faced with instructions that fall outside their training set. This paper presents Instructive Decoding (ID), a simple yet effective approach that augments the efficacy of instruction-tuned models. Specifically, ID adjusts the logits for next-token prediction in a contrastive manner, utilizing predictions generated from a manipulated version of the original instruction, referred to as a noisy instruction. This noisy instruction aims to elicit responses that could diverge from the intended instruction yet remain plausible. We conduct experiments across a spectrum of such noisy instructions, ranging from those that insert semantic noise via random words to others like 'opposite' that elicit the deviated responses. Our approach achieves considerable performance gains across various instruction-tuned models and tasks without necessitating any additional parameter updates. Notably, utilizing 'opposite' as the noisy instruction in ID, which exhibits the maximum divergence from the original instruction, consistently produces the most significant performance gains across multiple models and tasks.

In this work, we study the evolution of the loss Hessian across many classification tasks in order to understand the effect the curvature of the loss has on the training dynamics. Whereas prior work has focused on how different learning rates affect the loss Hessian observed during training, we also analyze the effects of model initialization, architectural choices, and common training heuristics such as gradient clipping and learning rate warmup. Our results demonstrate that successful model and hyperparameter choices allow the early optimization trajectory to either avoid -- or navigate out of -- regions of high curvature and into flatter regions that tolerate a higher learning rate. Our results suggest a unifying perspective on how disparate mitigation strategies for training instability ultimately address the same underlying failure mode of neural network optimization, namely poor conditioning. Inspired by the conditioning perspective, we show that learning rate warmup can improve training stability just as much as batch normalization, layer normalization, MetaInit, GradInit, and Fixup initialization.

Learning to denoise has emerged as a prominent paradigm to design state-of-the-art deep generative models for natural images. How to use it to model the distributions of both continuous real-valued data and categorical data has been well studied in recently proposed diffusion models. However, it is found in this paper to have limited ability in modeling some other types of data, such as count and non-negative continuous data, that are often highly sparse, skewed, heavy-tailed, and/or overdispersed. To this end, we propose learning to jump as a general recipe for generative modeling of various types of data. Using a forward count thinning process to construct learning objectives to train a deep neural network, it employs a reverse count thickening process to iteratively refine its generation through that network. We demonstrate when learning to jump is expected to perform comparably to learning to denoise, and when it is expected to perform better. For example, learning to jump is recommended when the training data is non-negative and exhibits strong sparsity, skewness, heavy-tailedness, and/or heterogeneity.

This work introduces a general code generation framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent code language models with infilling capabilities can perform self-infilling: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this feature to develop an infilling-augmented decoding process that facilitates non-monotonic generation. This approach allows for postponing the generation of uncertain code snippets until a definitive suffix is established, leading to improved control over the generation sequence. In addition, it facilitates a looping mechanism, which can iteratively update and synchronize each piece of generation in a cyclic manner. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing regularity and quality across several code generation benchmarks.

Classifier-Free Guidance (CFG) is a fundamental technique in training conditional diffusion models. The common practice for CFG-based training is to use a single network to learn both conditional and unconditional noise prediction, with a small dropout rate for conditioning. However, we observe that the joint learning of unconditional noise with limited bandwidth in training results in poor priors for the unconditional case. More importantly, these poor unconditional noise predictions become a serious reason for degrading the quality of conditional generation. Inspired by the fact that most CFG-based conditional models are trained by fine-tuning a base model with better unconditional generation, we first show that simply replacing the unconditional noise in CFG with that predicted by the base model can significantly improve conditional generation. Furthermore, we show that a diffusion model other than the one the fine-tuned model was trained on can be used for unconditional noise replacement. We experimentally verify our claim with a range of CFG-based conditional models for both image and video generation, including Zero-1-to-3, Versatile Diffusion, DiT, DynamiCrafter, and InstructPix2Pix.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Inducing and leveraging sparse activations during training and inference is a promising avenue for improving the computational efficiency of deep networks, which is increasingly important as network sizes continue to grow and their application becomes more widespread. Here we use the large width Gaussian process limit to analyze the behaviour, at random initialization, of nonlinear activations that induce sparsity in the hidden outputs. A previously unreported form of training instability is proven for arguably two of the most natural candidates for hidden layer sparsification; those being a shifted ReLU (phi(x)=max(0, x-tau) for tauge 0) and soft thresholding (phi(x)=0 for |x|letau and x-sign(x)tau for |x|>tau). We show that this instability is overcome by clipping the nonlinear activation magnitude, at a level prescribed by the shape of the associated Gaussian process variance map. Numerical experiments verify the theory and show that the proposed magnitude clipped sparsifying activations can be trained with training and test fractional sparsity as high as 85\% while retaining close to full accuracy.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

Low-rank adaptation (LoRA) reduces the computational and memory demands of fine-tuning large language models (LLMs) by approximating updates with low-rank matrices. However, low-rank approximation in two-dimensional space fails to capture high-dimensional structures within the target matrix. Recently, tensor decomposition methods have been explored for fine-tuning LLMs, leveraging their ability to extract structured information. Yet, these approaches primarily rely on random initialization, and the impact of initialization on tensor adaptation remains underexplored. In this paper, we reveal that random initialization significantly diverges from the validation loss achieved by full fine-tuning. To address this, we propose Weight-Decomposed Tensor Adaptation (DoTA), which leverages the Matrix Product Operator (MPO) decomposition of pre-trained weights for effective initialization in fine-tuning LLMs. Additionally, we introduce QDoTA, a quantized version of DoTA designed for 4-bit quantization. Experiments on commonsense and arithmetic reasoning tasks show that DoTA outperforms random initialization methods with fewer parameters. QDoTA further reduces memory consumption and achieves comparable performance to DoTA on commonsense reasoning tasks. We will release our code to support future research.

Post-training, which elicits a pretrained Base model into the corresponding Instruct model, is widely considered to be superficial. In this work, we first reinforce this hypothesis by providing novel quantitative evidence from the weight level that the effective rank (eRank) remains negligibly changed. However, this superficiality also suffers a critical trade-off, improving the exploitation capabilities at the cost of limiting its exploration. To tackle this issue, we propose Timber, a simple yet effective training-free method that enhances the exploration capability of the Instruct model while preserving its exploitation. The key insight is to partially revert Instruct towards the paired Base model by subtle yet targeted refinement of the weight deltas. Extensive experiments on Llama and Qwen series demonstrate that Timber consistently improves vanilla Instruct models, particularly on Pass@k performance. Our findings offer new insights into the post-training stage at the weight level and practical strategies to refine the Instruct model without training.

Transductive few-shot learning has recently triggered wide attention in computer vision. Yet, current methods introduce key hyper-parameters, which control the prediction statistics of the test batches, such as the level of class balance, affecting performances significantly. Such hyper-parameters are empirically grid-searched over validation data, and their configurations may vary substantially with the target dataset and pre-training model, making such empirical searches both sub-optimal and computationally intractable. In this work, we advocate and introduce the unrolling paradigm, also referred to as "learning to optimize", in the context of few-shot learning, thereby learning efficiently and effectively a set of optimized hyper-parameters. Specifically, we unroll a generalization of the ubiquitous Expectation-Maximization (EM) optimizer into a neural network architecture, mapping each of its iterates to a layer and learning a set of key hyper-parameters over validation data. Our unrolling approach covers various statistical feature distributions and pre-training paradigms, including recent foundational vision-language models and standard vision-only classifiers. We report comprehensive experiments, which cover a breadth of fine-grained downstream image classification tasks, showing significant gains brought by the proposed unrolled EM algorithm over iterative variants. The achieved improvements reach up to 10% and 7.5% on vision-only and vision-language benchmarks, respectively.

Estimating the uncertainty of responses of Large Language Models~(LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization~(TFB), a novel framework that transforms existing off-the-shelf trained LoRA adapters into Bayesian ones without additional training. TFB systematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. We theoretically demonstrate that under mild conditions, this search process is equivalent to variational inference for the weights. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex training procedures. Code will be available at https://github.com/Wang-ML-Lab/bayesian-peft.

It is notoriously difficult to train Transformers on small datasets; typically, large pre-trained models are instead used as the starting point. We explore the weights of such pre-trained Transformers (particularly for vision) to attempt to find reasons for this discrepancy. Surprisingly, we find that simply initializing the weights of self-attention layers so that they "look" more like their pre-trained counterparts allows us to train vanilla Transformers faster and to higher final accuracies, particularly on vision tasks such as CIFAR-10 and ImageNet classification, where we see gains in accuracy of over 5% and 4%, respectively. Our initialization scheme is closed form, learning-free, and very simple: we set the product of the query and key weights to be approximately the identity, and the product of the value and projection weights to approximately the negative identity. As this mimics the patterns we saw in pre-trained Transformers, we call the technique "mimetic initialization".

Recent advancements in large vision-language models (LVLMs), such as GPT4-V and LLaVA, have been substantial. LLaVA's modular architecture, in particular, offers a blend of simplicity and efficiency. Recent works mainly focus on introducing more pre-training and instruction tuning data to improve model's performance. This paper delves into the often-neglected aspects of data efficiency during pre-training and the selection process for instruction tuning datasets. Our research indicates that merely increasing the size of pre-training data does not guarantee improved performance and may, in fact, lead to its degradation. Furthermore, we have established a pipeline to pinpoint the most efficient instruction tuning (SFT) dataset, implying that not all SFT data utilized in existing studies are necessary. The primary objective of this paper is not to introduce a state-of-the-art model, but rather to serve as a roadmap for future research, aiming to optimize data usage during pre-training and fine-tuning processes to enhance the performance of vision-language models.

We propose (G)I-DLE, a new approach to constrained decoding that leverages KL divergence minimization to preserve the intrinsic conditional probability distribution of autoregressive language models while excluding undesirable tokens. Unlike conventional methods that naively set banned tokens' logits to -infty, which can distort the conversion from raw logits to posterior probabilities and increase output variance, (G)I-DLE re-normalizes the allowed token probabilities to minimize such distortion. We validate our method on the K2-Eval dataset, specifically designed to assess Korean language fluency, logical reasoning, and cultural appropriateness. Experimental results on Qwen2.5 models (ranging from 1.5B to 14B) demonstrate that G-IDLE not only boosts mean evaluation scores but also substantially reduces the variance of output quality.

We employ random matrix theory to establish consistency of generalized cross validation (GCV) for estimating prediction risks of sketched ridge regression ensembles, enabling efficient and consistent tuning of regularization and sketching parameters. Our results hold for a broad class of asymptotically free sketches under very mild data assumptions. For squared prediction risk, we provide a decomposition into an unsketched equivalent implicit ridge bias and a sketching-based variance, and prove that the risk can be globally optimized by only tuning sketch size in infinite ensembles. For general subquadratic prediction risk functionals, we extend GCV to construct consistent risk estimators, and thereby obtain distributional convergence of the GCV-corrected predictions in Wasserstein-2 metric. This in particular allows construction of prediction intervals with asymptotically correct coverage conditional on the training data. We also propose an "ensemble trick" whereby the risk for unsketched ridge regression can be efficiently estimated via GCV using small sketched ridge ensembles. We empirically validate our theoretical results using both synthetic and real large-scale datasets with practical sketches including CountSketch and subsampled randomized discrete cosine transforms.

We propose ScaledGD(\lambda), a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, ScaledGD(\lambda) starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, ScaledGD(\lambda) is remarkably robust to ill-conditioning compared to vanilla gradient descent (GD) even with overprameterization. Specifically, we show that, under the Gaussian design, ScaledGD(\lambda) converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla GD which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to any diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

We investigate the theoretical foundations of classifier-free guidance (CFG). CFG is the dominant method of conditional sampling for text-to-image diffusion models, yet unlike other aspects of diffusion, it remains on shaky theoretical footing. In this paper, we disprove common misconceptions, by showing that CFG interacts differently with DDPM (Ho et al., 2020) and DDIM (Song et al., 2021), and neither sampler with CFG generates the gamma-powered distribution p(x|c)^gamma p(x)^{1-gamma}. Then, we clarify the behavior of CFG by showing that it is a kind of predictor-corrector method (Song et al., 2020) that alternates between denoising and sharpening, which we call predictor-corrector guidance (PCG). We prove that in the SDE limit, CFG is actually equivalent to combining a DDIM predictor for the conditional distribution together with a Langevin dynamics corrector for a gamma-powered distribution (with a carefully chosen gamma). Our work thus provides a lens to theoretically understand CFG by embedding it in a broader design space of principled sampling methods.

Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To close this gap, inspired by the recent efforts of learning EBMs by maximizing diffusion recovery likelihood (DRL), we propose cooperative diffusion recovery likelihood (CDRL), an effective approach to tractably learn and sample from a series of EBMs defined on increasingly noisy versions of a dataset, paired with an initializer model for each EBM. At each noise level, the two models are jointly estimated within a cooperative training framework: samples from the initializer serve as starting points that are refined by a few MCMC sampling steps from the EBM. The EBM is then optimized by maximizing recovery likelihood, while the initializer model is optimized by learning from the difference between the refined samples and the initial samples. In addition, we made several practical designs for EBM training to further improve the sample quality. Combining these advances, our approach significantly boost the generation performance compared to existing EBM methods on CIFAR-10 and ImageNet datasets. We also demonstrate the effectiveness of our models for several downstream tasks, including classifier-free guided generation, compositional generation, image inpainting and out-of-distribution detection.

In this paper, we propose a dimensionless anomaly detection method for multivariate streams. Our method is independent of the unit of measurement for the different stream channels, therefore dimensionless. We first propose the variance norm, a generalisation of Mahalanobis distance to handle infinite-dimensional feature space and singular empirical covariance matrix rigorously. We then combine the variance norm with the path signature, an infinite collection of iterated integrals that provide global features of streams, to propose SigMahaKNN, a method for anomaly detection on (multivariate) streams. We show that SigMahaKNN is invariant to stream reparametrisation, stream concatenation and has a graded discrimination power depending on the truncation level of the path signature. We implement SigMahaKNN as an open-source software, and perform extensive numerical experiments, showing significantly improved anomaly detection on streams compared to isolation forest and local outlier factors in applications ranging from language analysis, hand-writing analysis, ship movement paths analysis and univariate time-series analysis.

In the rapidly advancing field of image generation, Visual Auto-Regressive (VAR) modeling has garnered considerable attention for its innovative next-scale prediction approach. This paradigm offers substantial improvements in efficiency, scalability, and zero-shot generalization. Yet, the inherently coarse-to-fine nature of VAR introduces a prolonged token sequence, leading to prohibitive memory consumption and computational redundancies. To address these bottlenecks, we propose Collaborative Decoding (CoDe), a novel efficient decoding strategy tailored for the VAR framework. CoDe capitalizes on two critical observations: the substantially reduced parameter demands at larger scales and the exclusive generation patterns across different scales. Based on these insights, we partition the multi-scale inference process into a seamless collaboration between a large model and a small model. The large model serves as the 'drafter', specializing in generating low-frequency content at smaller scales, while the smaller model serves as the 'refiner', solely focusing on predicting high-frequency details at larger scales. This collaboration yields remarkable efficiency with minimal impact on quality: CoDe achieves a 1.7x speedup, slashes memory usage by around 50%, and preserves image quality with only a negligible FID increase from 1.95 to 1.98. When drafting steps are further decreased, CoDe can achieve an impressive 2.9x acceleration ratio, reaching 41 images/s at 256x256 resolution on a single NVIDIA 4090 GPU, while preserving a commendable FID of 2.27. The code is available at https://github.com/czg1225/CoDe

Coordinate-based neural representations have shown significant promise as an alternative to discrete, array-based representations for complex low dimensional signals. However, optimizing a coordinate-based network from randomly initialized weights for each new signal is inefficient. We propose applying standard meta-learning algorithms to learn the initial weight parameters for these fully-connected networks based on the underlying class of signals being represented (e.g., images of faces or 3D models of chairs). Despite requiring only a minor change in implementation, using these learned initial weights enables faster convergence during optimization and can serve as a strong prior over the signal class being modeled, resulting in better generalization when only partial observations of a given signal are available. We explore these benefits across a variety of tasks, including representing 2D images, reconstructing CT scans, and recovering 3D shapes and scenes from 2D image observations.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

In this work, we present VARGPT-v1.1, an advanced unified visual autoregressive model that builds upon our previous framework VARGPT. The model preserves the dual paradigm of next-token prediction for visual understanding and next-scale generation for image synthesis. Specifically, VARGPT-v1.1 integrates: (1) a novel training strategy combining iterative visual instruction tuning with reinforcement learning through Direct Preference Optimization (DPO), (2) an expanded training corpus containing 8.3M visual-generative instruction pairs, (3) an upgraded language model backbone using Qwen2, (4) enhanced image generation resolution, and (5) emergent image editing capabilities without architectural modifications. These advancements enable VARGPT-v1.1 to achieve state-of-the-art performance in multimodal understanding and text-to-image instruction-following tasks, demonstrating significant improvements in both comprehension and generation metrics. Notably, through visual instruction tuning, the model acquires image editing functionality while maintaining architectural consistency with its predecessor, revealing the potential for unified visual understanding, generation, and editing. Our findings suggest that well-designed unified visual autoregressive models can effectively adopt flexible training strategies from large language models (LLMs), exhibiting promising scalability. The codebase and model weights are publicly available at https://github.com/VARGPT-family/VARGPT-v1.1.

We present Noisy Student Training, a semi-supervised learning approach that works well even when labeled data is abundant. Noisy Student Training achieves 88.4% top-1 accuracy on ImageNet, which is 2.0% better than the state-of-the-art model that requires 3.5B weakly labeled Instagram images. On robustness test sets, it improves ImageNet-A top-1 accuracy from 61.0% to 83.7%, reduces ImageNet-C mean corruption error from 45.7 to 28.3, and reduces ImageNet-P mean flip rate from 27.8 to 12.2. Noisy Student Training extends the idea of self-training and distillation with the use of equal-or-larger student models and noise added to the student during learning. On ImageNet, we first train an EfficientNet model on labeled images and use it as a teacher to generate pseudo labels for 300M unlabeled images. We then train a larger EfficientNet as a student model on the combination of labeled and pseudo labeled images. We iterate this process by putting back the student as the teacher. During the learning of the student, we inject noise such as dropout, stochastic depth, and data augmentation via RandAugment to the student so that the student generalizes better than the teacher. Models are available at https://github.com/tensorflow/tpu/tree/master/models/official/efficientnet. Code is available at https://github.com/google-research/noisystudent.

We train, for the first time, large language models using FP8 precision on datasets up to 2 trillion tokens -- a 20-fold increase over previous limits. Through these extended training runs, we uncover critical instabilities in FP8 training that were not observable in earlier works with shorter durations. We trace these instabilities to outlier amplification by the SwiGLU activation function. Interestingly, we show, both analytically and empirically, that this amplification happens only over prolonged training periods, and link it to a SwiGLU weight alignment process. To address this newly identified issue, we introduce Smooth-SwiGLU, a novel modification that ensures stable FP8 training without altering function behavior. We also demonstrate, for the first time, FP8 quantization of both Adam optimizer moments. Combining these innovations, we successfully train a 7B parameter model using FP8 precision on 256 Intel Gaudi2 accelerators, achieving on-par results with the BF16 baseline while delivering up to a sim 34 % throughput improvement.

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due to structured relations between samples, it remains unclear how to best incorporate this structure within existing boosting pipelines. To this end, we propose a generalized framework for iterating boosting with graph propagation steps that share node/sample information across edges connecting related samples. Unlike previous efforts to integrate graph-based models with boosting, our approach is anchored in a principled meta loss function such that provable convergence can be guaranteed under relatively mild assumptions. Across a variety of non-iid graph datasets with tabular node features, our method achieves comparable or superior performance than both tabular and graph neural network models, as well as existing hybrid strategies that combine the two. Beyond producing better predictive performance than recently proposed graph models, our proposed techniques are easy to implement, computationally more efficient, and enjoy stronger theoretical guarantees (which make our results more reproducible).

Empirical scaling laws prescribe how to allocate parameters, data, and compute, while maximal-update parameterization (muP) enables learning-rate transfer across widths by equalizing early-time update magnitudes. However, in modern scale-invariant architectures, training quickly enters an optimizer-governed steady state where normalization layers create backward scale sensitivity and the effective learning rate becomes width dependent, degrading muP transfer. We address this by introducing a weight-decay scaling rule for AdamW that preserves sublayer gain across widths. Empirically, the singular-value spectrum of each matrix parameter scales in norm as eta/lambda with an approximately invariant shape; under width scaling d, we observe that the top singular value scales approximately as eta/lambdacdot d^{0.75}. Combining this observation with the muP learning-rate rule eta_2propto d^{-1} for matrix-like parameters implies an empirical weight-decay scaling rule lambda_2propto d that approximately keeps sublayer gains width invariant. Together with vector-like parameters trained at eta_1=Theta_d(1) and lambda_1=0, this yields zero-shot transfer of both learning rate and weight decay from proxy to target widths, removing per-width sweeps. We validate the rule on LLaMA-style Transformers and in a minimal synthetic setting, and we provide a simple diagnostic, matching top singular values, to check sublayer-gain invariance. Our results extend muP beyond the near-init regime by explicitly controlling steady-state scales set by the optimizer, offering a practical recipe for width-robust hyperparameter transfer under AdamW.

Visual Auto-Regressive modeling (VAR) has shown promise in bridging the speed and quality gap between autoregressive image models and diffusion models. VAR reformulates autoregressive modeling by decomposing an image into successive resolution scales. During inference, an image is generated by predicting all the tokens in the next (higher-resolution) scale, conditioned on all tokens in all previous (lower-resolution) scales. However, this formulation suffers from reduced image quality due to the parallel generation of all tokens in a resolution scale; has sequence lengths scaling superlinearly in image resolution; and requires retraining to change the sampling schedule. We introduce Hierarchical Masked Auto-Regressive modeling (HMAR), a new image generation algorithm that alleviates these issues using next-scale prediction and masked prediction to generate high-quality images with fast sampling. HMAR reformulates next-scale prediction as a Markovian process, wherein the prediction of each resolution scale is conditioned only on tokens in its immediate predecessor instead of the tokens in all predecessor resolutions. When predicting a resolution scale, HMAR uses a controllable multi-step masked generation procedure to generate a subset of the tokens in each step. On ImageNet 256x256 and 512x512 benchmarks, HMAR models match or outperform parameter-matched VAR, diffusion, and autoregressive baselines. We develop efficient IO-aware block-sparse attention kernels that allow HMAR to achieve faster training and inference times over VAR by over 2.5x and 1.75x respectively, as well as over 3x lower inference memory footprint. Finally, HMAR yields additional flexibility over VAR; its sampling schedule can be changed without further training, and it can be applied to image editing tasks in a zero-shot manner.

Large pre-trained, zero-shot capable models have shown considerable success both for standard transfer and adaptation tasks, with particular robustness towards distribution shifts. In addition, subsequent fine-tuning can considerably improve performance on a selected downstream task. However, through naive fine-tuning, these zero-shot models lose their generalizability and robustness towards distribution shifts. This is a particular problem for tasks such as Continual Learning (CL), where continuous adaptation has to be performed as new task distributions are introduced sequentially. In this work, we showcase that where fine-tuning falls short to adapt such zero-shot capable models, simple momentum-based weight interpolation can provide consistent improvements for CL tasks in both memory-free and memory-based settings. In particular, we find improvements of over +4% on standard CL benchmarks, while reducing the error to the upper limit of jointly training on all tasks at once in parts by more than half, allowing the continual learner to inch closer to the joint training limits.

In this article, we introduce a novel normalization technique for neural network weight matrices, which we term weight conditioning. This approach aims to narrow the gap between the smallest and largest singular values of the weight matrices, resulting in better-conditioned matrices. The inspiration for this technique partially derives from numerical linear algebra, where well-conditioned matrices are known to facilitate stronger convergence results for iterative solvers. We provide a theoretical foundation demonstrating that our normalization technique smoothens the loss landscape, thereby enhancing convergence of stochastic gradient descent algorithms. Empirically, we validate our normalization across various neural network architectures, including Convolutional Neural Networks (CNNs), Vision Transformers (ViT), Neural Radiance Fields (NeRF), and 3D shape modeling. Our findings indicate that our normalization method is not only competitive but also outperforms existing weight normalization techniques from the literature.

Normalization layers are a staple in state-of-the-art deep neural network architectures. They are widely believed to stabilize training, enable higher learning rate, accelerate convergence and improve generalization, though the reason for their effectiveness is still an active research topic. In this work, we challenge the commonly-held beliefs by showing that none of the perceived benefits is unique to normalization. Specifically, we propose fixed-update initialization (Fixup), an initialization motivated by solving the exploding and vanishing gradient problem at the beginning of training via properly rescaling a standard initialization. We find training residual networks with Fixup to be as stable as training with normalization -- even for networks with 10,000 layers. Furthermore, with proper regularization, Fixup enables residual networks without normalization to achieve state-of-the-art performance in image classification and machine translation.

We present Diversity-Aware Meta Visual Prompting~(DAM-VP), an efficient and effective prompting method for transferring pre-trained models to downstream tasks with frozen backbone. A challenging issue in visual prompting is that image datasets sometimes have a large data diversity whereas a per-dataset generic prompt can hardly handle the complex distribution shift toward the original pretraining data distribution properly. To address this issue, we propose a dataset Diversity-Aware prompting strategy whose initialization is realized by a Meta-prompt. Specifically, we cluster the downstream dataset into small homogeneity subsets in a diversity-adaptive way, with each subset has its own prompt optimized separately. Such a divide-and-conquer design reduces the optimization difficulty greatly and significantly boosts the prompting performance. Furthermore, all the prompts are initialized with a meta-prompt, which is learned across several datasets. It is a bootstrapped paradigm, with the key observation that the prompting knowledge learned from previous datasets could help the prompt to converge faster and perform better on a new dataset. During inference, we dynamically select a proper prompt for each input, based on the feature distance between the input and each subset. Through extensive experiments, our DAM-VP demonstrates superior efficiency and effectiveness, clearly surpassing previous prompting methods in a series of downstream datasets for different pretraining models. Our code is available at: https://github.com/shikiw/DAM-VP.

3D Gaussian Splatting (3DGS) has demonstrated remarkable effectiveness in novel view synthesis (NVS). However, 3DGS tends to overfit when trained with sparse views, limiting its generalization to novel viewpoints. In this paper, we address this overfitting issue by introducing Self-Ensembling Gaussian Splatting (SE-GS). We achieve self-ensembling by incorporating an uncertainty-aware perturbation strategy during training. A Delta-model and a Sigma-model are jointly trained on the available images. The Delta-model is dynamically perturbed based on rendering uncertainty across training steps, generating diverse perturbed models with negligible computational overhead. Discrepancies between the Sigma-model and these perturbed models are minimized throughout training, forming a robust ensemble of 3DGS models. This ensemble, represented by the Sigma-model, is then used to generate novel-view images during inference. Experimental results on the LLFF, Mip-NeRF360, DTU, and MVImgNet datasets demonstrate that our approach enhances NVS quality under few-shot training conditions, outperforming existing state-of-the-art methods. The code is released at: https://sailor-z.github.io/projects/SEGS.html.

In modern large-scale deep learning, a prevalent and effective workflow for solving low-data problems is adapting powerful pre-trained foundation models (FMs) to new tasks via parameter-efficient fine-tuning (PEFT). However, while empirically effective, the resulting solutions lack generalisation guarantees to certify their accuracy - which may be required for ethical or legal reasons prior to deployment in high-importance applications. In this paper we develop a novel transfer learning approach that is designed to facilitate non-vacuous learning theoretic generalisation guarantees for downstream tasks, even in the low-shot regime. Specifically, we first use upstream tasks to train a distribution over PEFT parameters. We then learn the downstream task by a sample-and-evaluate procedure -- sampling plausible PEFTs from the trained diffusion model and selecting the one with the highest likelihood on the downstream data. Crucially, this confines our model hypothesis to a finite set of PEFT samples. In contrast to learning in the typical continuous hypothesis spaces of neural network weights, this facilitates tighter risk certificates. We instantiate our bound and show non-trivial generalization guarantees compared to existing learning approaches which lead to vacuous bounds in the low-shot regime.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

Implicit Neural Representations (INRs), as a versatile representation paradigm, have achieved success in various computer vision tasks. Due to the spectral bias of the vanilla multi-layer perceptrons (MLPs), existing methods focus on designing MLPs with sophisticated architectures or repurposing training techniques for highly accurate INRs. In this paper, we delve into the linear dynamics model of MLPs and theoretically identify the empirical Neural Tangent Kernel (eNTK) matrix as a reliable link between spectral bias and training dynamics. Based on this insight, we propose a practical Inductive Gradient Adjustment (IGA) method, which could purposefully improve the spectral bias via inductive generalization of eNTK-based gradient transformation matrix. Theoretical and empirical analyses validate impacts of IGA on spectral bias. Further, we evaluate our method on different INRs tasks with various INR architectures and compare to existing training techniques. The superior and consistent improvements clearly validate the advantage of our IGA. Armed with our gradient adjustment method, better INRs with more enhanced texture details and sharpened edges can be learned from data by tailored impacts on spectral bias.

We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2x training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19x parameters stored to initialize these models and around 5x pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9x parameters stored to initialize, compared to the pre-training approach.

Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.

We propose a novel approach to image generation by decomposing an image into a structured sequence, where each element in the sequence shares the same spatial resolution but differs in the number of unique tokens used, capturing different level of visual granularity. Image generation is carried out through our newly introduced Next Visual Granularity (NVG) generation framework, which generates a visual granularity sequence beginning from an empty image and progressively refines it, from global layout to fine details, in a structured manner. This iterative process encodes a hierarchical, layered representation that offers fine-grained control over the generation process across multiple granularity levels. We train a series of NVG models for class-conditional image generation on the ImageNet dataset and observe clear scaling behavior. Compared to the VAR series, NVG consistently outperforms it in terms of FID scores (3.30 -> 3.03, 2.57 ->2.44, 2.09 -> 2.06). We also conduct extensive analysis to showcase the capability and potential of the NVG framework. Our code and models will be released.

We showcase important features of the dynamics of the Stochastic Gradient Descent (SGD) in the training of neural networks. We present empirical observations that commonly used large step sizes (i) lead the iterates to jump from one side of a valley to the other causing loss stabilization, and (ii) this stabilization induces a hidden stochastic dynamics orthogonal to the bouncing directions that biases it implicitly toward sparse predictors. Furthermore, we show empirically that the longer large step sizes keep SGD high in the loss landscape valleys, the better the implicit regularization can operate and find sparse representations. Notably, no explicit regularization is used so that the regularization effect comes solely from the SGD training dynamics influenced by the step size schedule. Therefore, these observations unveil how, through the step size schedules, both gradient and noise drive together the SGD dynamics through the loss landscape of neural networks. We justify these findings theoretically through the study of simple neural network models as well as qualitative arguments inspired from stochastic processes. Finally, this analysis allows us to shed a new light on some common practice and observed phenomena when training neural networks. The code of our experiments is available at https://github.com/tml-epfl/sgd-sparse-features.

This paper proposes a new type of generative model that is able to quickly learn a latent representation without an encoder. This is achieved using empirical Bayes to calculate the expectation of the posterior, which is implemented by initialising a latent vector with zeros, then using the gradient of the log-likelihood of the data with respect to this zero vector as new latent points. The approach has similar characteristics to autoencoders, but with a simpler architecture, and is demonstrated in a variational autoencoder equivalent that permits sampling. This also allows implicit representation networks to learn a space of implicit functions without requiring a hypernetwork, retaining their representation advantages across datasets. The experiments show that the proposed method converges faster, with significantly lower reconstruction error than autoencoders, while requiring half the parameters.

We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.

Autoregressive models have achieved impressive results over a wide range of domains in terms of generation quality and downstream task performance. In the continuous domain, a key factor behind this success is the usage of quantized latent spaces (e.g., obtained via VQ-VAE autoencoders), which allow for dimensionality reduction and faster inference times. However, using existing pre-trained models to perform new non-trivial tasks is difficult since it requires additional fine-tuning or extensive training to elicit prompting. This paper introduces LASS as a way to perform vector-quantized Latent Autoregressive Source Separation (i.e., de-mixing an input signal into its constituent sources) without requiring additional gradient-based optimization or modifications of existing models. Our separation method relies on the Bayesian formulation in which the autoregressive models are the priors, and a discrete (non-parametric) likelihood function is constructed by performing frequency counts over latent sums of addend tokens. We test our method on images and audio with several sampling strategies (e.g., ancestral, beam search) showing competitive results with existing approaches in terms of separation quality while offering at the same time significant speedups in terms of inference time and scalability to higher dimensional data.

This paper explores Large Batch Training techniques using layer-wise adaptive scaling ratio (LARS) across diverse settings, uncovering insights. LARS algorithms with warm-up tend to be trapped in sharp minimizers early on due to redundant ratio scaling. Additionally, a fixed steep decline in the latter phase restricts deep neural networks from effectively navigating early-phase sharp minimizers. Building on these findings, we propose Time Varying LARS (TVLARS), a novel algorithm that replaces warm-up with a configurable sigmoid-like function for robust training in the initial phase. TVLARS promotes gradient exploration early on, surpassing sharp optimizers and gradually transitioning to LARS for robustness in later phases. Extensive experiments demonstrate that TVLARS consistently outperforms LARS and LAMB in most cases, with up to 2\% improvement in classification scenarios. Notably, in all self-supervised learning cases, TVLARS dominates LARS and LAMB with performance improvements of up to 10\%.

This paper revisits the standard pretrain-then-finetune paradigm used in computer vision for visual recognition tasks. Typically, state-of-the-art foundation models are pretrained using large scale (weakly) supervised datasets with billions of images. We introduce an additional pre-pretraining stage that is simple and uses the self-supervised MAE technique to initialize the model. While MAE has only been shown to scale with the size of models, we find that it scales with the size of the training dataset as well. Thus, our MAE-based pre-pretraining scales with both model and data size making it applicable for training foundation models. Pre-pretraining consistently improves both the model convergence and the downstream transfer performance across a range of model scales (millions to billions of parameters), and dataset sizes (millions to billions of images). We measure the effectiveness of pre-pretraining on 10 different visual recognition tasks spanning image classification, video recognition, object detection, low-shot classification and zero-shot recognition. Our largest model achieves new state-of-the-art results on iNaturalist-18 (91.3%), 1-shot ImageNet-1k (62.1%), and zero-shot transfer on Food-101 (96.0%). Our study reveals that model initialization plays a significant role, even for web-scale pretraining with billions of images.

While fine-tuning of pre-trained language models generally helps to overcome the lack of labelled training samples, it also displays model performance instability. This instability mainly originates from randomness in initialisation or data shuffling. To address this, researchers either modify the training process or augment the available samples, which typically results in increased computational costs. We propose a new mitigation strategy, called Delayed Ensemble with Noisy Interpolation (DENI), that leverages the strengths of ensembling, noise regularisation and model interpolation, while retaining computational efficiency. We compare DENI with 9 representative mitigation strategies across 3 models, 4 tuning strategies and 7 text classification datasets. We show that: 1) DENI outperforms the best performing mitigation strategy (Ensemble), while using only a fraction of its cost; 2) the mitigation strategies are beneficial for parameter-efficient fine-tuning (PEFT) methods, outperforming full fine-tuning in specific cases; and 3) combining DENI with data augmentation often leads to even more effective instability mitigation.

The new paradigm of test-time scaling has yielded remarkable breakthroughs in Large Language Models (LLMs) (e.g. reasoning models) and in generative vision models, allowing models to allocate additional computation during inference to effectively tackle increasingly complex problems. Despite the improvements of this approach, an important limitation emerges: the substantial increase in computation time makes the process slow and impractical for many applications. Given the success of this paradigm and its growing usage, we seek to preserve its benefits while eschewing the inference overhead. In this work we propose one solution to the critical problem of integrating test-time scaling knowledge into a model during post-training. Specifically, we replace reward guided test-time noise optimization in diffusion models with a Noise Hypernetwork that modulates initial input noise. We propose a theoretically grounded framework for learning this reward-tilted distribution for distilled generators, through a tractable noise-space objective that maintains fidelity to the base model while optimizing for desired characteristics. We show that our approach recovers a substantial portion of the quality gains from explicit test-time optimization at a fraction of the computational cost. Code is available at https://github.com/ExplainableML/HyperNoise

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

One puzzling artifact in machine learning dubbed grokking is where delayed generalization is achieved tenfolds of iterations after near perfect overfitting to the training data. Focusing on the long delay itself on behalf of machine learning practitioners, our goal is to accelerate generalization of a model under grokking phenomenon. By regarding a series of gradients of a parameter over training iterations as a random signal over time, we can spectrally decompose the parameter trajectories under gradient descent into two components: the fast-varying, overfitting-yielding component and the slow-varying, generalization-inducing component. This analysis allows us to accelerate the grokking phenomenon more than times 50 with only a few lines of code that amplifies the slow-varying components of gradients. The experiments show that our algorithm applies to diverse tasks involving images, languages, and graphs, enabling practical availability of this peculiar artifact of sudden generalization. Our code is available at https://github.com/ironjr/grokfast.

Classifier-free guidance (CFG) is crucial for improving both generation quality and alignment between the input condition and final output in diffusion models. While a high guidance scale is generally required to enhance these aspects, it also causes oversaturation and unrealistic artifacts. In this paper, we revisit the CFG update rule and introduce modifications to address this issue. We first decompose the update term in CFG into parallel and orthogonal components with respect to the conditional model prediction and observe that the parallel component primarily causes oversaturation, while the orthogonal component enhances image quality. Accordingly, we propose down-weighting the parallel component to achieve high-quality generations without oversaturation. Additionally, we draw a connection between CFG and gradient ascent and introduce a new rescaling and momentum method for the CFG update rule based on this insight. Our approach, termed adaptive projected guidance (APG), retains the quality-boosting advantages of CFG while enabling the use of higher guidance scales without oversaturation. APG is easy to implement and introduces practically no additional computational overhead to the sampling process. Through extensive experiments, we demonstrate that APG is compatible with various conditional diffusion models and samplers, leading to improved FID, recall, and saturation scores while maintaining precision comparable to CFG, making our method a superior plug-and-play alternative to standard classifier-free guidance.

When two different parties use the same learning rule on their own data, how can we test whether the distributions of the two outcomes are similar? In this paper, we study the similarity of outcomes of learning rules through the lens of the Total Variation (TV) distance of distributions. We say that a learning rule is TV indistinguishable if the expected TV distance between the posterior distributions of its outputs, executed on two training data sets drawn independently from the same distribution, is small. We first investigate the learnability of hypothesis classes using TV indistinguishable learners. Our main results are information-theoretic equivalences between TV indistinguishability and existing algorithmic stability notions such as replicability and approximate differential privacy. Then, we provide statistical amplification and boosting algorithms for TV indistinguishable learners.

In Neural Architecture Search (NAS), reducing the cost of architecture evaluation remains one of the most crucial challenges. Among a plethora of efforts to bypass training of each candidate architecture to convergence for evaluation, the Neural Tangent Kernel (NTK) is emerging as a promising theoretical framework that can be utilized to estimate the performance of a neural architecture at initialization. In this work, we revisit several at-initialization metrics that can be derived from the NTK and reveal their key shortcomings. Then, through the empirical analysis of the time evolution of NTK, we deduce that modern neural architectures exhibit highly non-linear characteristics, making the NTK-based metrics incapable of reliably estimating the performance of an architecture without some amount of training. To take such non-linear characteristics into account, we introduce Label-Gradient Alignment (LGA), a novel NTK-based metric whose inherent formulation allows it to capture the large amount of non-linear advantage present in modern neural architectures. With minimal amount of training, LGA obtains a meaningful level of rank correlation with the post-training test accuracy of an architecture. Lastly, we demonstrate that LGA, complemented with few epochs of training, successfully guides existing search algorithms to achieve competitive search performances with significantly less search cost. The code is available at: https://github.com/nutellamok/DemystifyingNTK.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including 98.6% ROC-AUC on the CIFAR-10 dataset.

We propose a novel framework to perform classification via deep learning in the presence of noisy annotations. When trained on noisy labels, deep neural networks have been observed to first fit the training data with clean labels during an "early learning" phase, before eventually memorizing the examples with false labels. We prove that early learning and memorization are fundamental phenomena in high-dimensional classification tasks, even in simple linear models, and give a theoretical explanation in this setting. Motivated by these findings, we develop a new technique for noisy classification tasks, which exploits the progress of the early learning phase. In contrast with existing approaches, which use the model output during early learning to detect the examples with clean labels, and either ignore or attempt to correct the false labels, we take a different route and instead capitalize on early learning via regularization. There are two key elements to our approach. First, we leverage semi-supervised learning techniques to produce target probabilities based on the model outputs. Second, we design a regularization term that steers the model towards these targets, implicitly preventing memorization of the false labels. The resulting framework is shown to provide robustness to noisy annotations on several standard benchmarks and real-world datasets, where it achieves results comparable to the state of the art.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Recent success in deep learning has partially been driven by training increasingly overparametrized networks on ever larger datasets. It is therefore natural to ask: how much of the data is superfluous, which examples are important for generalization, and how do we find them? In this work, we make the striking observation that, in standard vision datasets, simple scores averaged over several weight initializations can be used to identify important examples very early in training. We propose two such scores -- the Gradient Normed (GraNd) and the Error L2-Norm (EL2N) scores -- and demonstrate their efficacy on a range of architectures and datasets by pruning significant fractions of training data without sacrificing test accuracy. In fact, using EL2N scores calculated a few epochs into training, we can prune half of the CIFAR10 training set while slightly improving test accuracy. Furthermore, for a given dataset, EL2N scores from one architecture or hyperparameter configuration generalize to other configurations. Compared to recent work that prunes data by discarding examples that are rarely forgotten over the course of training, our scores use only local information early in training. We also use our scores to detect noisy examples and study training dynamics through the lens of important examples -- we investigate how the data distribution shapes the loss surface and identify subspaces of the model's data representation that are relatively stable over training.

Speculative decoding emerges as a pivotal technique for enhancing the inference speed of Large Language Models (LLMs). Despite recent research aiming to improve prediction efficiency, multi-sample speculative decoding has been overlooked due to varying numbers of accepted tokens within a batch in the verification phase. Vanilla method adds padding tokens in order to ensure that the number of new tokens remains consistent across samples. However, this increases the computational and memory access overhead, thereby reducing the speedup ratio. We propose a novel method that can resolve the issue of inconsistent tokens accepted by different samples without necessitating an increase in memory or computing overhead. Furthermore, our proposed method can handle the situation where the prediction tokens of different samples are inconsistent without the need to add padding tokens. Sufficient experiments demonstrate the efficacy of our method. Our code is available at https://github.com/niyunsheng/EMS-SD.

Multi-task learning (MTL) has shown effectiveness in exploiting shared information across tasks to improve generalization. MTL assumes tasks share similarities that can improve performance. In addition, boosting algorithms have demonstrated exceptional performance across diverse learning problems, primarily due to their ability to focus on hard-to-learn instances and iteratively reduce residual errors. This makes them a promising approach for learning multi-task problems. However, real-world MTL scenarios often involve tasks that are not well-aligned (known as outlier or adversarial tasks), which do not share beneficial similarities with others and can, in fact, deteriorate the performance of the overall model. To overcome this challenge, we propose Robust-Multi-Task Gradient Boosting (R-MTGB), a novel boosting framework that explicitly models and adapts to task heterogeneity during training. R-MTGB structures the learning process into three sequential blocks: (1) learning shared patterns, (2) partitioning tasks into outliers and non-outliers with regularized parameters, and (3) fine-tuning task-specific predictors. This architecture enables R-MTGB to automatically detect and penalize outlier tasks while promoting effective knowledge transfer among related tasks. Our method integrates these mechanisms seamlessly within gradient boosting, allowing robust handling of noisy or adversarial tasks without sacrificing accuracy. Extensive experiments on both synthetic benchmarks and real-world datasets demonstrate that our approach successfully isolates outliers, transfers knowledge, and consistently reduces prediction errors for each task individually, and achieves overall performance gains across all tasks. These results highlight robustness, adaptability, and reliable convergence of R-MTGB in challenging MTL environments.

Training Deep Neural Networks is complicated by the fact that the distribution of each layer's inputs changes during training, as the parameters of the previous layers change. This slows down the training by requiring lower learning rates and careful parameter initialization, and makes it notoriously hard to train models with saturating nonlinearities. We refer to this phenomenon as internal covariate shift, and address the problem by normalizing layer inputs. Our method draws its strength from making normalization a part of the model architecture and performing the normalization for each training mini-batch. Batch Normalization allows us to use much higher learning rates and be less careful about initialization. It also acts as a regularizer, in some cases eliminating the need for Dropout. Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin. Using an ensemble of batch-normalized networks, we improve upon the best published result on ImageNet classification: reaching 4.9% top-5 validation error (and 4.8% test error), exceeding the accuracy of human raters.

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.80, inception score (IS) from 80.4 to 356.4, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

Training deep neural networks (DNNs) is costly. Fortunately, Nvidia Ampere and Hopper GPUs can accelerate matrix multiplications twice as fast as a dense equivalent by implementing 2:4 sparsity. However, previous STE-based 2:4 pre-training methods (e.g. STE with hard-thresholding, SR-STE) suffer from optimization difficulties because of discontinuous pruning function. In this study, we comprehensively analyse the bottleneck of traditional N:M sparse training and recognize three drawbacks with discontinuity: incorrect descending direction, inability to predict the amount of descent and sparse mask oscillation. In light of this, we propose S-STE, a simple yet powerful 2:4 training method that contains two parts: to continuously project weights to be 2:4 sparse, and to rescale sparse weights with a per-tensor fixed scaling factor. Besides, we adopt minimum-variance unbiased estimation for activation gradient and FP8 quantization for whole process. Results show that our method surpasses previous 2:4 pre-training recipes and is comparable even with full parameter models. Our toolkit is available at https://github.com/huyz2023/2by4-pretrain.

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

Continual learning (CL) refers to the ability of an intelligent system to sequentially acquire and retain knowledge from a stream of data with as little computational overhead as possible. To this end; regularization, replay, architecture, and parameter isolation approaches were introduced to the literature. Parameter isolation using a sparse network which enables to allocate distinct parts of the neural network to different tasks and also allows to share of parameters between tasks if they are similar. Dynamic Sparse Training (DST) is a prominent way to find these sparse networks and isolate them for each task. This paper is the first empirical study investigating the effect of different DST components under the CL paradigm to fill a critical research gap and shed light on the optimal configuration of DST for CL if it exists. Therefore, we perform a comprehensive study in which we investigate various DST components to find the best topology per task on well-known CIFAR100 and miniImageNet benchmarks in a task-incremental CL setup since our primary focus is to evaluate the performance of various DST criteria, rather than the process of mask selection. We found that, at a low sparsity level, Erdos-Renyi Kernel (ERK) initialization utilizes the backbone more efficiently and allows to effectively learn increments of tasks. At a high sparsity level, however, uniform initialization demonstrates more reliable and robust performance. In terms of growth strategy; performance is dependent on the defined initialization strategy, and the extent of sparsity. Finally, adaptivity within DST components is a promising way for better continual learners.

Adapting a pre-trained foundation model on downstream tasks should ensure robustness against distribution shifts without the need to retrain the whole model. Although existing weight interpolation methods are simple yet effective, we argue their static nature limits downstream performance while achieving efficiency. In this work, we propose DaWin, a training-free dynamic weight interpolation method that leverages the entropy of individual models over each unlabeled test sample to assess model expertise, and compute per-sample interpolation coefficients dynamically. Unlike previous works that typically rely on additional training to learn such coefficients, our approach requires no training. Then, we propose a mixture modeling approach that greatly reduces inference overhead raised by dynamic interpolation. We validate DaWin on the large-scale visual recognition benchmarks, spanning 14 tasks across robust fine-tuning -- ImageNet and derived five distribution shift benchmarks -- and multi-task learning with eight classification tasks. Results demonstrate that DaWin achieves significant performance gain in considered settings, with minimal computational overhead. We further discuss DaWin's analytic behavior to explain its empirical success.

Grokking is the intriguing phenomenon where a model learns to generalize long after it has fit the training data. We show both analytically and numerically that grokking can surprisingly occur in linear networks performing linear tasks in a simple teacher-student setup with Gaussian inputs. In this setting, the full training dynamics is derived in terms of the training and generalization data covariance matrix. We present exact predictions on how the grokking time depends on input and output dimensionality, train sample size, regularization, and network initialization. We demonstrate that the sharp increase in generalization accuracy may not imply a transition from "memorization" to "understanding", but can simply be an artifact of the accuracy measure. We provide empirical verification for our calculations, along with preliminary results indicating that some predictions also hold for deeper networks, with non-linear activations.

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).

Few-shot learning aims to transfer the knowledge acquired from training on a diverse set of tasks to unseen tasks from the same task distribution with a limited amount of labeled data. The underlying requirement for effective few-shot generalization is to learn a good representation of the task manifold. This becomes more difficult when only a limited number of tasks are available for training. In such a few-task few-shot setting, it is beneficial to explicitly preserve the local neighborhoods from the task manifold and exploit this to generate artificial tasks for training. To this end, we introduce the notion of interval bounds from the provably robust training literature to few-shot learning. The interval bounds are used to characterize neighborhoods around the training tasks. These neighborhoods can then be preserved by minimizing the distance between a task and its respective bounds. We then use a novel strategy to artificially form new tasks for training by interpolating between the available tasks and their respective interval bounds. We apply our framework to both model-agnostic meta-learning as well as prototype-based metric-learning paradigms. The efficacy of our proposed approach is evident from the improved performance on several datasets from diverse domains compared to current methods.

This work studies training instabilities of behavior cloning with deep neural networks. We observe that minibatch SGD updates to the policy network during training result in sharp oscillations in long-horizon rewards, despite negligibly affecting the behavior cloning loss. We empirically disentangle the statistical and computational causes of these oscillations, and find them to stem from the chaotic propagation of minibatch SGD noise through unstable closed-loop dynamics. While SGD noise is benign in the single-step action prediction objective, it results in catastrophic error accumulation over long horizons, an effect we term gradient variance amplification (GVA). We show that many standard mitigation techniques do not alleviate GVA, but find an exponential moving average (EMA) of iterates to be surprisingly effective at doing so. We illustrate the generality of this phenomenon by showing the existence of GVA and its amelioration by EMA in both continuous control and autoregressive language generation. Finally, we provide theoretical vignettes that highlight the benefits of EMA in alleviating GVA and shed light on the extent to which classical convex models can help in understanding the benefits of iterate averaging in deep learning.

Large language models have demonstrated promising capabilities upon scaling up parameters. However, serving large language models incurs substantial computation and memory movement costs due to their large scale. Quantization methods have been employed to reduce service costs and latency. Nevertheless, outliers in activations hinder the development of INT4 weight-activation quantization. Existing approaches separate outliers and normal values into two matrices or migrate outliers from activations to weights, suffering from high latency or accuracy degradation. Based on observing activations from large language models, outliers can be classified into channel-wise and spike outliers. In this work, we propose Rotated Runtime Smooth (RRS), a plug-and-play activation smoother for quantization, consisting of Runtime Smooth and the Rotation operation. Runtime Smooth (RS) is introduced to eliminate channel-wise outliers by smoothing activations with channel-wise maximums during runtime. The rotation operation can narrow the gap between spike outliers and normal values, alleviating the effect of victims caused by channel-wise smoothing. The proposed method outperforms the state-of-the-art method in the LLaMA and Qwen families and improves WikiText-2 perplexity from 57.33 to 6.66 for INT4 inference.

We propose prototypical networks for the problem of few-shot classification, where a classifier must generalize to new classes not seen in the training set, given only a small number of examples of each new class. Prototypical networks learn a metric space in which classification can be performed by computing distances to prototype representations of each class. Compared to recent approaches for few-shot learning, they reflect a simpler inductive bias that is beneficial in this limited-data regime, and achieve excellent results. We provide an analysis showing that some simple design decisions can yield substantial improvements over recent approaches involving complicated architectural choices and meta-learning. We further extend prototypical networks to zero-shot learning and achieve state-of-the-art results on the CU-Birds dataset.