Daily Papers

The Distribution Matching Distillation (DMD) has been successfully applied to text-to-image diffusion models such as Stable Diffusion (SD) 1.5. However, vanilla DMD suffers from convergence difficulties on large-scale flow-based text-to-image models, such as SD 3.5 and FLUX. In this paper, we first analyze the issues when applying vanilla DMD on large-scale models. Then, to overcome the scalability challenge, we propose implicit distribution alignment (IDA) to regularize the distance between the generator and fake distribution. Furthermore, we propose intra-segment guidance (ISG) to relocate the timestep importance distribution from the teacher model. With IDA alone, DMD converges for SD 3.5; employing both IDA and ISG, DMD converges for SD 3.5 and FLUX.1 dev. Along with other improvements such as scaled up discriminator models, our final model, dubbed SenseFlow, achieves superior performance in distillation for both diffusion based text-to-image models such as SDXL, and flow-matching models such as SD 3.5 Large and FLUX. The source code will be avaliable at https://github.com/XingtongGe/SenseFlow.

A multichannel extension to the RVQGAN neural coding method is proposed, and realized for data-driven compression of third-order Ambisonics audio. The input- and output layers of the generator and discriminator models are modified to accept multiple (16) channels without increasing the model bitrate. We also propose a loss function for accounting for spatial perception in immersive reproduction, and transfer learning from single-channel models. Listening test results with 7.1.4 immersive playback show that the proposed extension is suitable for coding scene-based, 16-channel Ambisonics content with good quality at 16 kbit/s.

Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTACs and molecular glues, have thus gained attention as pharmacological alternatives, but still require small molecule docking at binding pockets for targeted protein degradation (TPD). The computational design of protein-based binders presents unique opportunities to access undruggable targets, but have often relied on stable 3D structures or predictions for effective binder generation. Recently, we have leveraged the expressive latent spaces of protein language models (pLMs) for the prioritization of peptide binders from sequence alone, which we have then fused to E3 ubiquitin ligase domains, creating a CRISPR-analogous TPD system for target proteins. However, our methods rely on training discriminator models for ranking heuristically or unconditionally-derived guide peptides for their target binding capability. In this work, we introduce PepMLM, a purely target sequence-conditioned de novo generator of linear peptide binders. By employing a novel masking strategy that uniquely positions cognate peptide sequences at the terminus of target protein sequences, PepMLM tasks the state-of-the-art ESM-2 pLM to fully reconstruct the binder region, achieving low perplexities matching or improving upon previously-validated peptide-protein sequence pairs. After successful in silico benchmarking with AlphaFold-Multimer, we experimentally verify PepMLM's efficacy via fusion of model-derived peptides to E3 ubiquitin ligase domains, demonstrating endogenous degradation of target substrates in cellular models. In total, PepMLM enables the generative design of candidate binders to any target protein, without the requirement of target structure, empowering downstream programmable proteome editing applications.

IceCloudNet is a novel method based on machine learning able to predict high-quality vertically resolved cloud ice water contents (IWC) and ice crystal number concentrations (N_ice). The predictions come at the spatio-temporal coverage and resolution of geostationary satellite observations (SEVIRI) and the vertical resolution of active satellite retrievals (DARDAR). IceCloudNet consists of a ConvNeXt-based U-Net and a 3D PatchGAN discriminator model and is trained by predicting DARDAR profiles from co-located SEVIRI images. Despite the sparse availability of DARDAR data due to its narrow overpass, IceCloudNet is able to predict cloud occurrence, spatial structure, and microphysical properties with high precision. The model has been applied to ten years of SEVIRI data, producing a dataset of vertically resolved IWC and N_ice of clouds containing ice with a 3 kmx3 kmx240 mx15 minute resolution in a spatial domain of 30{\deg}W to 30{\deg}E and 30{\deg}S to 30{\deg}N. The produced dataset increases the availability of vertical cloud profiles, for the period when DARDAR is available, by more than six orders of magnitude and moreover, IceCloudNet is able to produce vertical cloud profiles beyond the lifetime of the recently ended satellite missions underlying DARDAR.

In the context of multi-step reasoning, language models (LMs) probabilities are often miscalibrated -- solutions with high probabilities are not always correct. Therefore, greedy decoding, which is the standard decoding method for reasoning tasks, often yields incorrect solutions. In addition, methods such as self-consistency and verifiers rely on sampling from the LM distribution and do not tackle the underlying issue. To address this, we introduce Guiding Multi-step ReAsoning with a CorrectnEss Discriminator (GRACE), a stepwise decoding approach that nudges the model towards producing correct reasoning steps. GRACE employs a discriminator model, which is trained to differentiate correct steps from invalid ones, to adjust decoding preferences based on the correctness of each reasoning step. Importantly, GRACE does not require fine-tuning or re-training the LMs. When compared with conventional decoding strategies over four popular math reasoning benchmarks, GRACE exhibits significant improvements in both final answer accuracy and step correctness, outperforming both greedy decoding and self-consistency.Our code can be found at \url{https://github.com/mukhal/grace.}

Varied approaches for aligning language models have been proposed, including supervised fine-tuning, RLHF, and direct optimization methods such as DPO. Although DPO has rapidly gained popularity due to its straightforward training process and competitive results, there is an open question of whether there remain practical advantages of using a discriminator, like a reward model, to evaluate responses. We propose D2PO, discriminator-guided DPO, an approach for the online setting where preferences are being collected throughout learning. As we collect gold preferences, we use these not only to train our policy, but to train a discriminative response evaluation model to silver-label even more synthetic data for policy training. We explore this approach across a set of diverse tasks, including a realistic chat setting, we find that our approach leads to higher-quality outputs compared to DPO with the same data budget, and greater efficiency in terms of preference data requirements. Furthermore, we show conditions under which silver labeling is most helpful: it is most effective when training the policy with DPO, outperforming traditional PPO, and benefits from maintaining a separate discriminator from the policy model.

The proposed method, Discriminator Guidance, aims to improve sample generation of pre-trained diffusion models. The approach introduces a discriminator that gives explicit supervision to a denoising sample path whether it is realistic or not. Unlike GANs, our approach does not require joint training of score and discriminator networks. Instead, we train the discriminator after score training, making discriminator training stable and fast to converge. In sample generation, we add an auxiliary term to the pre-trained score to deceive the discriminator. This term corrects the model score to the data score at the optimal discriminator, which implies that the discriminator helps better score estimation in a complementary way. Using our algorithm, we achive state-of-the-art results on ImageNet 256x256 with FID 1.83 and recall 0.64, similar to the validation data's FID (1.68) and recall (0.66). We release the code at https://github.com/alsdudrla10/DG.

Offline Goal-Conditioned Reinforcement Learning (GCRL) is tasked with learning to achieve multiple goals in an environment purely from offline datasets using sparse reward functions. Offline GCRL is pivotal for developing generalist agents capable of leveraging pre-existing datasets to learn diverse and reusable skills without hand-engineering reward functions. However, contemporary approaches to GCRL based on supervised learning and contrastive learning are often suboptimal in the offline setting. An alternative perspective on GCRL optimizes for occupancy matching, but necessitates learning a discriminator, which subsequently serves as a pseudo-reward for downstream RL. Inaccuracies in the learned discriminator can cascade, negatively influencing the resulting policy. We present a novel approach to GCRL under a new lens of mixture-distribution matching, leading to our discriminator-free method: SMORe. The key insight is combining the occupancy matching perspective of GCRL with a convex dual formulation to derive a learning objective that can better leverage suboptimal offline data. SMORe learns scores or unnormalized densities representing the importance of taking an action at a state for reaching a particular goal. SMORe is principled and our extensive experiments on the fully offline GCRL benchmark composed of robot manipulation and locomotion tasks, including high-dimensional observations, show that SMORe can outperform state-of-the-art baselines by a significant margin.

A recent technical breakthrough in the domain of machine learning is the discovery and the multiple applications of Generative Adversarial Networks (GANs). Those generative models are computationally demanding, as a GAN is composed of two deep neural networks, and because it trains on large datasets. A GAN is generally trained on a single server. In this paper, we address the problem of distributing GANs so that they are able to train over datasets that are spread on multiple workers. MD-GAN is exposed as the first solution for this problem: we propose a novel learning procedure for GANs so that they fit this distributed setup. We then compare the performance of MD-GAN to an adapted version of Federated Learning to GANs, using the MNIST and CIFAR10 datasets. MD-GAN exhibits a reduction by a factor of two of the learning complexity on each worker node, while providing better performances than federated learning on both datasets. We finally discuss the practical implications of distributing GANs.

This paper proposes Pix2Next, a novel image-to-image translation framework designed to address the challenge of generating high-quality Near-Infrared (NIR) images from RGB inputs. Our approach leverages a state-of-the-art Vision Foundation Model (VFM) within an encoder-decoder architecture, incorporating cross-attention mechanisms to enhance feature integration. This design captures detailed global representations and preserves essential spectral characteristics, treating RGB-to-NIR translation as more than a simple domain transfer problem. A multi-scale PatchGAN discriminator ensures realistic image generation at various detail levels, while carefully designed loss functions couple global context understanding with local feature preservation. We performed experiments on the RANUS dataset to demonstrate Pix2Next's advantages in quantitative metrics and visual quality, improving the FID score by 34.81% compared to existing methods. Furthermore, we demonstrate the practical utility of Pix2Next by showing improved performance on a downstream object detection task using generated NIR data to augment limited real NIR datasets. The proposed approach enables the scaling up of NIR datasets without additional data acquisition or annotation efforts, potentially accelerating advancements in NIR-based computer vision applications.

In recent decades, Generative Adversarial Network (GAN) and its variants have achieved unprecedented success in image synthesis. However, well-trained GANs are under the threat of illegal steal or leakage. The prior studies on remote ownership verification assume a black-box setting where the defender can query the suspicious model with specific inputs, which we identify is not enough for generation tasks. To this end, in this paper, we propose a novel IP protection scheme for GANs where ownership verification can be done by checking outputs only, without choosing the inputs (i.e., box-free setting). Specifically, we make use of the unexploited potential of the discriminator to learn a hypersphere that captures the unique distribution learned by the paired generator. Extensive evaluations on two popular GAN tasks and more than 10 GAN architectures demonstrate our proposed scheme to effectively verify the ownership. Our proposed scheme shown to be immune to popular input-based removal attacks and robust against other existing attacks. The source code and models are available at https://github.com/AbstractTeen/gan_ownership_verification

Prompt learning with immensely large Casual Language Models (CLMs) has been shown promising for attribute-controllable text generation (CTG). However, vanilla prompt tuning tends to imitate training corpus characteristics beyond the control attributes, resulting in a poor generalization ability. Moreover, it is less able to capture the relationship between different attributes, further limiting the control performance. In this paper, we propose a new CTG approach, namely DisCup, which incorporates the attribute knowledge of discriminator to optimize the control-prompts, steering a frozen CLM to produce attribute-specific texts. Specifically, the frozen CLM model, capable of producing multitudinous texts, is first used to generate the next-token candidates based on the context, so as to ensure the diversity of tokens to be predicted. Then, we leverage an attribute-discriminator to select desired/undesired tokens from those candidates, providing the inter-attribute knowledge. Finally, we bridge the above two traits by an unlikelihood objective for prompt-tuning. Extensive experimental results show that DisCup can achieve a new state-of-the-art control performance while maintaining an efficient and high-quality text generation, only relying on around 10 virtual tokens.

While large-scale language models (LMs) are able to imitate the distribution of natural language well enough to generate realistic text, it is difficult to control which regions of the distribution they generate. This is especially problematic because datasets used for training large LMs usually contain significant toxicity, hate, bias, and negativity. We propose GeDi as an efficient method for using smaller LMs as generative discriminators to guide generation from large LMs to make them safer and more controllable. GeDi guides generation at each step by computing classification probabilities for all possible next tokens via Bayes rule by normalizing over two class-conditional distributions; one conditioned on the desired attribute, or control code, and another conditioned on the undesired attribute, or anti control code. We find that GeDi gives stronger controllability than the state of the art method while also achieving generation speeds more than 30 times faster. Additionally, training GeDi on only four topics allows us to controllably generate new topics zero-shot from just a keyword, unlocking a new capability that previous controllable generation methods do not have. Lastly, we show that GeDi can make GPT-2 (1.5B parameters) significantly less toxic without sacrificing linguistic quality, making it by far the most practical existing method for detoxifying large language models while maintaining a fast generation speed.

Diffusion models have demonstrated their powerful generative capability in many tasks, with great potential to serve as a paradigm for offline reinforcement learning. However, the quality of the diffusion model is limited by the insufficient diversity of training data, which hinders the performance of planning and the generalizability to new tasks. This paper introduces AdaptDiffuser, an evolutionary planning method with diffusion that can self-evolve to improve the diffusion model hence a better planner, not only for seen tasks but can also adapt to unseen tasks. AdaptDiffuser enables the generation of rich synthetic expert data for goal-conditioned tasks using guidance from reward gradients. It then selects high-quality data via a discriminator to finetune the diffusion model, which improves the generalization ability to unseen tasks. Empirical experiments on two benchmark environments and two carefully designed unseen tasks in KUKA industrial robot arm and Maze2D environments demonstrate the effectiveness of AdaptDiffuser. For example, AdaptDiffuser not only outperforms the previous art Diffuser by 20.8% on Maze2D and 7.5% on MuJoCo locomotion, but also adapts better to new tasks, e.g., KUKA pick-and-place, by 27.9% without requiring additional expert data. More visualization results and demo videos could be found on our project page.

Pre-trained models have achieved remarkable success in natural language processing (NLP). However, existing pre-training methods underutilize the benefits of language understanding for generation. Inspired by the idea of Generative Adversarial Networks (GANs), we propose a GAN-style model for encoder-decoder pre-training by introducing an auxiliary discriminator, unifying the ability of language understanding and generation in a single model. Our model, named as GanLM, is trained with two pre-training objectives: replaced token detection and replaced token denoising. Specifically, given masked source sentences, the generator outputs the target distribution and the discriminator predicts whether the target sampled tokens from distribution are incorrect. The target sentence is replaced with misclassified tokens to construct noisy previous context, which is used to generate the gold sentence. In general, both tasks improve the ability of language understanding and generation by selectively using the denoising data. Extensive experiments in language generation benchmarks show that GanLM with the powerful language understanding capability outperforms various strong pre-trained language models (PLMs) and achieves state-of-the-art performance.

Large Language Models (LLM) with reasoning capabilities offer a promising path for improving candidate evaluation in planning frameworks, but their relative performance against traditional non-reasoning models remains largely underexplored. In this study, we benchmark a distilled 1.5B parameter reasoning model (DeepSeek-R1) against several state-of-the-art non-reasoning LLMs within a generator-discriminator LLM planning framework for the text-to-SQL task. For this, we introduce a novel method for extracting soft scores from the chain-of-thought (CoT) outputs from reasoning that enables fine-grained ranking of candidates. Our central hypothesis is that reasoning models are more effective discriminators than non-reasoning LLMs. Our results show that distilled DeepSeek-R1-1.5B achieves up to 87% higher F1 and 3.7% better discrimination accuracy than CodeLlama-7B, as well as 3.7% higher execution accuracy than CodeLlama-13B, despite having significantly fewer parameters. Furthermore, we find that there is a limit to the logical capabilities of reasoning models, and only providing more context or allowing more compute budget for reasoning is not enough to improve their discrimination performance. Finally, we demonstrate that, unlike non-reasoning LLMs, reasoning models find generation more challenging than discrimination and may underperform as generators compared to smaller non-reasoning LLMs. Our work highlights the potential of reasoning models as discriminators in agentic frameworks, far outweighing their capabilities as generators, offering insights into their optimal role within LLM planning infrastructures.

Lossy image compression aims to represent images in as few bits as possible while maintaining fidelity to the original. Theoretical results indicate that optimizing distortion metrics such as PSNR or MS-SSIM necessarily leads to a discrepancy in the statistics of original images from those of reconstructions, in particular at low bitrates, often manifested by the blurring of the compressed images. Previous work has leveraged adversarial discriminators to improve statistical fidelity. Yet these binary discriminators adopted from generative modeling tasks may not be ideal for image compression. In this paper, we introduce a non-binary discriminator that is conditioned on quantized local image representations obtained via VQ-VAE autoencoders. Our evaluations on the CLIC2020, DIV2K and Kodak datasets show that our discriminator is more effective for jointly optimizing distortion (e.g., PSNR) and statistical fidelity (e.g., FID) than the state-of-the-art HiFiC model. On the CLIC2020 test set, we obtain the same FID as HiFiC with 30-40% fewer bits.

Pre-trained language models (PLMs), such as BERT and GPT, have revolutionized the field of NLP, not only in the general domain but also in the biomedical domain. Most prior efforts in building biomedical PLMs have resorted simply to domain adaptation and focused mainly on English. In this work we introduce eHealth, a Chinese biomedical PLM built from scratch with a new pre-training framework. This new framework pre-trains eHealth as a discriminator through both token- and sequence-level discrimination. The former is to detect input tokens corrupted by a generator and recover their original identities from plausible candidates, while the latter is to further distinguish corruptions of a same original sequence from those of others. As such, eHealth can learn language semantics at both token and sequence levels. Extensive experiments on 11 Chinese biomedical language understanding tasks of various forms verify the effectiveness and superiority of our approach. We release the pre-trained model at https://github.com/PaddlePaddle/Research/tree/master/KG/eHealth and will also release the code later.

Vision-Language Models (VLMs) have achieved remarkable progress, yet their large scale often renders them impractical for resource-constrained environments. This paper introduces Unified Reinforcement and Imitation Learning (RIL), a novel and efficient training algorithm designed to create powerful, lightweight VLMs. RIL distinctively combines the strengths of reinforcement learning with adversarial imitation learning. This enables smaller student VLMs not only to mimic the sophisticated text generation of large teacher models but also to systematically improve their generative capabilities through reinforcement signals. Key to our imitation framework is an LLM-based discriminator that adeptly distinguishes between student and teacher outputs, complemented by guidance from multiple large teacher VLMs to ensure diverse learning. This unified learning strategy, leveraging both reinforcement and imitation, empowers student models to achieve significant performance gains, making them competitive with leading closed-source VLMs. Extensive experiments on diverse vision-language benchmarks demonstrate that RIL significantly narrows the performance gap with state-of-the-art open- and closed-source VLMs and, in several instances, surpasses them.

While likelihood-based generative models, particularly diffusion and autoregressive models, have achieved remarkable fidelity in visual generation, the maximum likelihood estimation (MLE) objective inherently suffers from a mode-covering tendency that limits the generation quality under limited model capacity. In this work, we propose Direct Discriminative Optimization (DDO) as a unified framework that bridges likelihood-based generative training and the GAN objective to bypass this fundamental constraint. Our key insight is to parameterize a discriminator implicitly using the likelihood ratio between a learnable target model and a fixed reference model, drawing parallels with the philosophy of Direct Preference Optimization (DPO). Unlike GANs, this parameterization eliminates the need for joint training of generator and discriminator networks, allowing for direct, efficient, and effective finetuning of a well-trained model to its full potential beyond the limits of MLE. DDO can be performed iteratively in a self-play manner for progressive model refinement, with each round requiring less than 1% of pretraining epochs. Our experiments demonstrate the effectiveness of DDO by significantly advancing the previous SOTA diffusion model EDM, reducing FID scores from 1.79/1.58 to new records of 1.30/0.97 on CIFAR-10/ImageNet-64 datasets, and by consistently improving both guidance-free and CFG-enhanced FIDs of visual autoregressive models on ImageNet 256times256.

This study aims to construct an audio-video generative model with minimal computational cost by leveraging pre-trained single-modal generative models for audio and video. To achieve this, we propose a novel method that guides single-modal models to cooperatively generate well-aligned samples across modalities. Specifically, given two pre-trained base diffusion models, we train a lightweight joint guidance module to adjust scores separately estimated by the base models to match the score of joint distribution over audio and video. We show that this guidance can be computed using the gradient of the optimal discriminator, which distinguishes real audio-video pairs from fake ones independently generated by the base models. Based on this analysis, we construct a joint guidance module by training this discriminator. Additionally, we adopt a loss function to stabilize the discriminator's gradient and make it work as a noise estimator, as in standard diffusion models. Empirical evaluations on several benchmark datasets demonstrate that our method improves both single-modal fidelity and multimodal alignment with relatively few parameters. The code is available at: https://github.com/SonyResearch/MMDisCo.

We propose a method to distill a complex multistep diffusion model into a single-step conditional GAN student model, dramatically accelerating inference, while preserving image quality. Our approach interprets diffusion distillation as a paired image-to-image translation task, using noise-to-image pairs of the diffusion model's ODE trajectory. For efficient regression loss computation, we propose E-LatentLPIPS, a perceptual loss operating directly in diffusion model's latent space, utilizing an ensemble of augmentations. Furthermore, we adapt a diffusion model to construct a multi-scale discriminator with a text alignment loss to build an effective conditional GAN-based formulation. E-LatentLPIPS converges more efficiently than many existing distillation methods, even accounting for dataset construction costs. We demonstrate that our one-step generator outperforms cutting-edge one-step diffusion distillation models -- DMD, SDXL-Turbo, and SDXL-Lightning -- on the zero-shot COCO benchmark.

MRI super-resolution (SR) and denoising tasks are fundamental challenges in the field of deep learning, which have traditionally been treated as distinct tasks with separate paired training data. In this paper, we propose an innovative method that addresses both tasks simultaneously using a single deep learning model, eliminating the need for explicitly paired noisy and clean images during training. Our proposed model is primarily trained for SR, but also exhibits remarkable noise-cleaning capabilities in the super-resolved images. Instead of conventional approaches that introduce frequency-related operations into the generative process, our novel approach involves the use of a GAN model guided by a frequency-informed discriminator. To achieve this, we harness the power of the 3D Discrete Wavelet Transform (DWT) operation as a frequency constraint within the GAN framework for the SR task on magnetic resonance imaging (MRI) data. Specifically, our contributions include: 1) a 3D generator based on residual-in-residual connected blocks; 2) the integration of the 3D DWT with 1times 1 convolution into a DWT+conv unit within a 3D Unet for the discriminator; 3) the use of the trained model for high-quality image SR, accompanied by an intrinsic denoising process. We dub the model "Denoising Induced Super-resolution GAN (DISGAN)" due to its dual effects of SR image generation and simultaneous denoising. Departing from the traditional approach of training SR and denoising tasks as separate models, our proposed DISGAN is trained only on the SR task, but also achieves exceptional performance in denoising. The model is trained on 3D MRI data from dozens of subjects from the Human Connectome Project (HCP) and further evaluated on previously unseen MRI data from subjects with brain tumours and epilepsy to assess its denoising and SR performance.

We offer a novel perspective on reward modeling by formulating it as a policy discriminator, which quantifies the difference between two policies to generate a reward signal, guiding the training policy towards a target policy with desired behaviors. Based on this conceptual insight, we propose a scalable pre-training method named Policy Discriminative Learning (POLAR), which trains a reward model (RM) to discern identical policies and discriminate different ones. Unlike traditional reward modeling methods relying on absolute preferences, POLAR captures the relative difference between one policy and an arbitrary target policy, which is a scalable, high-level optimization objective suitable for modeling generic ranking relationships. Leveraging the POLAR pre-training paradigm, we present a series of RMs with parameter scales from 1.8B to 7B. Empirical results show that POLAR substantially outperforms traditional non-pre-trained methods, significantly enhancing RM performance. For instance, POLAR-7B could improve preference accuracy from 54.8% to 81.0% on STEM tasks and from 57.9% to 85.5% on creative writing tasks compared to SOTA baselines. POLAR also shows robust generalization capabilities in RLHF using Reinforcement Fine-tuning (RFT), providing reliable reward signals and markedly enhancing policy performance--improving LLaMa3.1-8B from an average of 47.36% to 56.33% and Qwen2.5-32B from 64.49% to 70.47% on 20 benchmarks. Moreover, scaling experiments reveal a clear power-law relationship between computation and performance, supported by linear correlation coefficients approaching 0.99. The impressive performance, strong generalization, and scaling properties suggest that POLAR is a promising direction for developing general and strong reward models.

Consistency models have exhibited remarkable capabilities in facilitating efficient image/video generation, enabling synthesis with minimal sampling steps. It has proven to be advantageous in mitigating the computational burdens associated with diffusion models. Nevertheless, the application of consistency models in music generation remains largely unexplored. To address this gap, we present Music Consistency Models (MusicCM), which leverages the concept of consistency models to efficiently synthesize mel-spectrogram for music clips, maintaining high quality while minimizing the number of sampling steps. Building upon existing text-to-music diffusion models, the MusicCM model incorporates consistency distillation and adversarial discriminator training. Moreover, we find it beneficial to generate extended coherent music by incorporating multiple diffusion processes with shared constraints. Experimental results reveal the effectiveness of our model in terms of computational efficiency, fidelity, and naturalness. Notable, MusicCM achieves seamless music synthesis with a mere four sampling steps, e.g., only one second per minute of the music clip, showcasing the potential for real-time application.

Despite the recent advances in large-scale diffusion models, little progress has been made on the layout-to-image (L2I) synthesis task. Current L2I models either suffer from poor editability via text or weak alignment between the generated image and the input layout. This limits their usability in practice. To mitigate this, we propose to integrate adversarial supervision into the conventional training pipeline of L2I diffusion models (ALDM). Specifically, we employ a segmentation-based discriminator which provides explicit feedback to the diffusion generator on the pixel-level alignment between the denoised image and the input layout. To encourage consistent adherence to the input layout over the sampling steps, we further introduce the multistep unrolling strategy. Instead of looking at a single timestep, we unroll a few steps recursively to imitate the inference process, and ask the discriminator to assess the alignment of denoised images with the layout over a certain time window. Our experiments show that ALDM enables layout faithfulness of the generated images, while allowing broad editability via text prompts. Moreover, we showcase its usefulness for practical applications: by synthesizing target distribution samples via text control, we improve domain generalization of semantic segmentation models by a large margin (~12 mIoU points).

Pre-trained text-to-image generative models can produce diverse, semantically rich, and realistic images from natural language descriptions. Compared with language, images usually convey information with more details and less ambiguity. In this study, we propose Learning from the Void (LfVoid), a method that leverages the power of pre-trained text-to-image models and advanced image editing techniques to guide robot learning. Given natural language instructions, LfVoid can edit the original observations to obtain goal images, such as "wiping" a stain off a table. Subsequently, LfVoid trains an ensembled goal discriminator on the generated image to provide reward signals for a reinforcement learning agent, guiding it to achieve the goal. The ability of LfVoid to learn with zero in-domain training on expert demonstrations or true goal observations (the void) is attributed to the utilization of knowledge from web-scale generative models. We evaluate LfVoid across three simulated tasks and validate its feasibility in the corresponding real-world scenarios. In addition, we offer insights into the key considerations for the effective integration of visual generative models into robot learning workflows. We posit that our work represents an initial step towards the broader application of pre-trained visual generative models in the robotics field. Our project page: https://lfvoid-rl.github.io/.

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often requiring numerous sampling steps that limit their practical application, especially in video generation. This work introduces a novel framework for diffusion distillation and distribution matching that dramatically reduces the number of inference steps while maintaining-and potentially improving-generation quality. Our approach focuses on distilling pre-trained diffusion models into a more efficient few-step generator, specifically targeting video generation. By leveraging a combination of video GAN loss and a novel 2D score distribution matching loss, we demonstrate the potential to generate high-quality video frames with substantially fewer sampling steps. To be specific, the proposed method incorporates a denoising GAN discriminator to distil from the real data and a pre-trained image diffusion model to enhance the frame quality and the prompt-following capabilities. Experimental results using AnimateDiff as the teacher model showcase the method's effectiveness, achieving superior performance in just four sampling steps compared to existing techniques.

Diffusion-based generative models have shown great potential for image synthesis, but there is a lack of research on the security and privacy risks they may pose. In this paper, we investigate the vulnerability of diffusion models to Membership Inference Attacks (MIAs), a common privacy concern. Our results indicate that existing MIAs designed for GANs or VAE are largely ineffective on diffusion models, either due to inapplicable scenarios (e.g., requiring the discriminator of GANs) or inappropriate assumptions (e.g., closer distances between synthetic samples and member samples). To address this gap, we propose Step-wise Error Comparing Membership Inference (SecMI), a query-based MIA that infers memberships by assessing the matching of forward process posterior estimation at each timestep. SecMI follows the common overfitting assumption in MIA where member samples normally have smaller estimation errors, compared with hold-out samples. We consider both the standard diffusion models, e.g., DDPM, and the text-to-image diffusion models, e.g., Latent Diffusion Models and Stable Diffusion. Experimental results demonstrate that our methods precisely infer the membership with high confidence on both of the two scenarios across multiple different datasets. Code is available at https://github.com/jinhaoduan/SecMI.

Nonparallel multi-domain voice conversion methods such as the StarGAN-VCs have been widely applied in many scenarios. However, the training of these models usually poses a challenge due to their complicated adversarial network architectures. To address this, in this work we leverage the state-of-the-art contrastive learning techniques and incorporate an efficient Siamese network structure into the StarGAN discriminator. Our method is called SimSiam-StarGAN-VC and it boosts the training stability and effectively prevents the discriminator overfitting issue in the training process. We conduct experiments on the Voice Conversion Challenge (VCC 2018) dataset, plus a user study to validate the performance of our framework. Our experimental results show that SimSiam-StarGAN-VC significantly outperforms existing StarGAN-VC methods in terms of both the objective and subjective metrics.

For unsupervised image-to-image translation, we propose a discriminator architecture which focuses on the statistical features instead of individual patches. The network is stabilized by distribution matching of key statistical features at multiple scales. Unlike the existing methods which impose more and more constraints on the generator, our method facilitates the shape deformation and enhances the fine details with a greatly simplified framework. We show that the proposed method outperforms the existing state-of-the-art models in various challenging applications including selfie-to-anime, male-to-female and glasses removal.

The recent advancements in image-text diffusion models have stimulated research interest in large-scale 3D generative models. Nevertheless, the limited availability of diverse 3D resources presents significant challenges to learning. In this paper, we present a novel method for generating high-quality, stylized 3D avatars that utilizes pre-trained image-text diffusion models for data generation and a Generative Adversarial Network (GAN)-based 3D generation network for training. Our method leverages the comprehensive priors of appearance and geometry offered by image-text diffusion models to generate multi-view images of avatars in various styles. During data generation, we employ poses extracted from existing 3D models to guide the generation of multi-view images. To address the misalignment between poses and images in data, we investigate view-specific prompts and develop a coarse-to-fine discriminator for GAN training. We also delve into attribute-related prompts to increase the diversity of the generated avatars. Additionally, we develop a latent diffusion model within the style space of StyleGAN to enable the generation of avatars based on image inputs. Our approach demonstrates superior performance over current state-of-the-art methods in terms of visual quality and diversity of the produced avatars.

This work introduces RARE (Retrieval-Augmented Reasoning Enhancement), a versatile extension to the mutual reasoning framework (rStar), aimed at enhancing reasoning accuracy and factual integrity across large language models (LLMs) for complex, knowledge-intensive tasks such as commonsense and medical reasoning. RARE incorporates two innovative actions within the Monte Carlo Tree Search (MCTS) framework: A6, which generates search queries based on the initial problem statement, performs information retrieval using those queries, and augments reasoning with the retrieved data to formulate the final answer; and A7, which leverages information retrieval specifically for generated sub-questions and re-answers these sub-questions with the relevant contextual information. Additionally, a Retrieval-Augmented Factuality Scorer is proposed to replace the original discriminator, prioritizing reasoning paths that meet high standards of factuality. Experimental results with LLaMA 3.1 show that RARE enables open-source LLMs to achieve competitive performance with top open-source models like GPT-4 and GPT-4o. This research establishes RARE as a scalable solution for improving LLMs in domains where logical coherence and factual integrity are critical.

Watermarking has become one of promising techniques to not only aid in identifying AI-generated images but also serve as a deterrent against the unethical use of these models. However, the robustness of watermarking techniques has not been extensively studied recently. In this paper, we investigate the robustness of generative watermarking, which is created from the integration of watermarking embedding and text-to-image generation processing in generative models, e.g., latent diffusion models. Specifically, we propose three attacking methods, i.e., discriminator-based attacks, edge prediction-based attacks, and fine-tune-based attacks, under the scenario where the watermark decoder is not accessible. The model is allowed to be fine-tuned to created AI agents with specific generative tasks for personalizing or specializing. We found that generative watermarking methods are robust to direct evasion attacks, like discriminator-based attacks, or manipulation based on the edge information in edge prediction-based attacks but vulnerable to malicious fine-tuning. Experimental results show that our fine-tune-based attacks can decrease the accuracy of the watermark detection to nearly 67.92%. In addition, We conduct an ablation study on the length of fine-tuned messages, encoder/decoder's depth and structure to identify key factors that impact the performance of fine-tune-based attacks.

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs' discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10--20 times slower but leads to negligible performance gains, which hinders its real-world applications. Code and data will be released at https://github.com/OSU-NLP-Group/llm-planning-eval.

Code LLMs are being rapidly deployed and there is evidence that they can make professional programmers more productive. Current benchmarks for code generation measure whether models generate correct programs given an expert prompt. In this paper, we present a new benchmark containing multiple prompts per problem, written by a specific population of non-expert prompters: beginning programmers. StudentEval contains 1,749 prompts for 48 problems, written by 80 students who have only completed one semester of Python programming. Our students wrote these prompts while working interactively with a Code LLM, and we observed very mixed success rates. We use StudentEval to evaluate 5 Code LLMs and find that StudentEval is a better discriminator of model performance than existing benchmarks. We analyze the prompts and find significant variation in students' prompting techniques. We also find that nondeterministic LLM sampling could mislead students into thinking that their prompts are more (or less) effective than they actually are, which has implications for how to teach with Code LLMs.

Most existing retrieval-augmented language models (LMs) assume a naive dichotomy within a retrieved document set: query-relevance and irrelevance. Our work investigates a more challenging scenario in which even the "relevant" documents may contain misleading or incorrect information, causing conflict among the retrieved documents and thereby negatively influencing model decisions as noise. We observe that existing LMs are highly brittle to the presence of conflicting information in both the fine-tuning and in-context few-shot learning scenarios. We propose approaches for handling knowledge conflicts among retrieved documents by explicitly fine-tuning a discriminator or prompting GPT-3.5 to elicit its discriminative capability. Our empirical results on open-domain QA show that these approaches significantly enhance model robustness. We also provide our findings on incorporating the fine-tuned discriminator's decision into the in-context learning process, proposing a way to exploit the benefits of two disparate learning schemes. Alongside our findings, we provide MacNoise, a machine-generated, conflict-induced dataset to further encourage research in this direction.

The deployment of large language models (LLMs) faces considerable challenges concerning resource constraints and inference efficiency. Recent research has increasingly focused on smaller, task-specific models enhanced by distilling knowledge from LLMs. However, prior studies have often overlooked the diversity and quality of knowledge, especially the untapped potential of negative knowledge. Constructing effective negative knowledge remains severely understudied. In this paper, we introduce a novel framework called quality-guided contrastive rationale distillation aimed at enhancing reasoning capabilities through contrastive knowledge learning. For positive knowledge, we enrich its diversity through temperature sampling and employ self-consistency for further denoising and refinement. For negative knowledge, we propose an innovative self-adversarial approach that generates low-quality rationales by sampling previous iterations of smaller language models, embracing the idea that one can learn from one's own weaknesses. A contrastive loss is developed to distill both positive and negative knowledge into smaller language models, where an online-updating discriminator is integrated to assess qualities of rationales and assign them appropriate weights, optimizing the training process. Through extensive experiments across multiple reasoning tasks, we demonstrate that our method consistently outperforms existing distillation techniques, yielding higher-quality rationales.

Several recent works have shown how highly realistic human head images can be obtained by training convolutional neural networks to generate them. In order to create a personalized talking head model, these works require training on a large dataset of images of a single person. However, in many practical scenarios, such personalized talking head models need to be learned from a few image views of a person, potentially even a single image. Here, we present a system with such few-shot capability. It performs lengthy meta-learning on a large dataset of videos, and after that is able to frame few- and one-shot learning of neural talking head models of previously unseen people as adversarial training problems with high capacity generators and discriminators. Crucially, the system is able to initialize the parameters of both the generator and the discriminator in a person-specific way, so that training can be based on just a few images and done quickly, despite the need to tune tens of millions of parameters. We show that such an approach is able to learn highly realistic and personalized talking head models of new people and even portrait paintings.

While text-to-video diffusion models have made significant strides, many still face challenges in generating videos with temporal consistency. Within diffusion frameworks, guidance techniques have proven effective in enhancing output quality during inference; however, applying these methods to video diffusion models introduces additional complexity of handling computations across entire sequences. To address this, we propose a novel framework called MotionPrompt that guides the video generation process via optical flow. Specifically, we train a discriminator to distinguish optical flow between random pairs of frames from real videos and generated ones. Given that prompts can influence the entire video, we optimize learnable token embeddings during reverse sampling steps by using gradients from a trained discriminator applied to random frame pairs. This approach allows our method to generate visually coherent video sequences that closely reflect natural motion dynamics, without compromising the fidelity of the generated content. We demonstrate the effectiveness of our approach across various models.

Recent strides in Text-to-3D techniques have been propelled by distilling knowledge from powerful large text-to-image diffusion models (LDMs). Nonetheless, existing Text-to-3D approaches often grapple with challenges such as over-saturation, inadequate detailing, and unrealistic outputs. This study presents a novel strategy that leverages explicitly synthesized multi-view images to address these issues. Our approach involves the utilization of image-to-image pipelines, empowered by LDMs, to generate posed high-quality images based on the renderings of coarse 3D models. Although the generated images mostly alleviate the aforementioned issues, challenges such as view inconsistency and significant content variance persist due to the inherent generative nature of large diffusion models, posing extensive difficulties in leveraging these images effectively. To overcome this hurdle, we advocate integrating a discriminator alongside a novel Diffusion-GAN dual training strategy to guide the training of 3D models. For the incorporated discriminator, the synthesized multi-view images are considered real data, while the renderings of the optimized 3D models function as fake data. We conduct a comprehensive set of experiments that demonstrate the effectiveness of our method over baseline approaches.

Generative models of natural images have progressed towards high fidelity samples by the strong leveraging of scale. We attempt to carry this success to the field of video modeling by showing that large Generative Adversarial Networks trained on the complex Kinetics-600 dataset are able to produce video samples of substantially higher complexity and fidelity than previous work. Our proposed model, Dual Video Discriminator GAN (DVD-GAN), scales to longer and higher resolution videos by leveraging a computationally efficient decomposition of its discriminator. We evaluate on the related tasks of video synthesis and video prediction, and achieve new state-of-the-art Fr\'echet Inception Distance for prediction for Kinetics-600, as well as state-of-the-art Inception Score for synthesis on the UCF-101 dataset, alongside establishing a strong baseline for synthesis on Kinetics-600.

We present a novel approach to feature labeling using gradient descent in token-space. While existing methods typically use language models to generate hypotheses about feature meanings, our method directly optimizes label representations by using a language model as a discriminator to predict feature activations. We formulate this as a multi-objective optimization problem in token-space, balancing prediction accuracy, entropy minimization, and linguistic naturalness. Our proof-of-concept experiments demonstrate successful convergence to interpretable single-token labels across diverse domains, including features for detecting animals, mammals, Chinese text, and numbers. Although our current implementation is constrained to single-token labels and relatively simple features, the results suggest that token-space gradient descent could become a valuable addition to the interpretability researcher's toolkit.

As the application of generative adversarial networks (GANs) expands, it becomes increasingly critical to develop a unified approach that improves performance across various generative tasks. One effective strategy that applies to any machine learning task is identifying harmful instances, whose removal improves the performance. While previous studies have successfully estimated these harmful training instances in supervised settings, their approaches are not easily applicable to GANs. The challenge lies in two requirements of the previous approaches that do not apply to GANs. First, previous approaches require that the absence of a training instance directly affects the parameters. However, in the training for GANs, the instances do not directly affect the generator's parameters since they are only fed into the discriminator. Second, previous approaches assume that the change in loss directly quantifies the harmfulness of the instance to a model's performance, while common types of GAN losses do not always reflect the generative performance. To overcome the first challenge, we propose influence estimation methods that use the Jacobian of the generator's gradient with respect to the discriminator's parameters (and vice versa). Such a Jacobian represents the indirect effect between two models: how removing an instance from the discriminator's training changes the generator's parameters. Second, we propose an instance evaluation scheme that measures the harmfulness of each training instance based on how a GAN evaluation metric (e.g., Inception score) is expected to change by the instance's removal. Furthermore, we demonstrate that removing the identified harmful instances significantly improves the generative performance on various GAN evaluation metrics.

It is well known the adversarial optimization of GAN-based image super-resolution (SR) methods makes the preceding SR model generate unpleasant and undesirable artifacts, leading to large distortion. We attribute the cause of such distortions to the poor calibration of the discriminator, which hampers its ability to provide meaningful feedback to the generator for learning high-quality images. To address this problem, we propose a simple but non-travel diffusion-style data augmentation scheme for current GAN-based SR methods, known as DifAugGAN. It involves adapting the diffusion process in generative diffusion models for improving the calibration of the discriminator during training motivated by the successes of data augmentation schemes in the field to achieve good calibration. Our DifAugGAN can be a Plug-and-Play strategy for current GAN-based SISR methods to improve the calibration of the discriminator and thus improve SR performance. Extensive experimental evaluations demonstrate the superiority of DifAugGAN over state-of-the-art GAN-based SISR methods across both synthetic and real-world datasets, showcasing notable advancements in both qualitative and quantitative results.

Synthesizing high-fidelity complex images from text is challenging. Based on large pretraining, the autoregressive and diffusion models can synthesize photo-realistic images. Although these large models have shown notable progress, there remain three flaws. 1) These models require tremendous training data and parameters to achieve good performance. 2) The multi-step generation design slows the image synthesis process heavily. 3) The synthesized visual features are difficult to control and require delicately designed prompts. To enable high-quality, efficient, fast, and controllable text-to-image synthesis, we propose Generative Adversarial CLIPs, namely GALIP. GALIP leverages the powerful pretrained CLIP model both in the discriminator and generator. Specifically, we propose a CLIP-based discriminator. The complex scene understanding ability of CLIP enables the discriminator to accurately assess the image quality. Furthermore, we propose a CLIP-empowered generator that induces the visual concepts from CLIP through bridge features and prompts. The CLIP-integrated generator and discriminator boost training efficiency, and as a result, our model only requires about 3% training data and 6% learnable parameters, achieving comparable results to large pretrained autoregressive and diffusion models. Moreover, our model achieves 120 times faster synthesis speed and inherits the smooth latent space from GAN. The extensive experimental results demonstrate the excellent performance of our GALIP. Code is available at https://github.com/tobran/GALIP.

This article introduces contrastive alignment instructions (AlignInstruct) to address two challenges in machine translation (MT) on large language models (LLMs). One is the expansion of supported languages to previously unseen ones. The second relates to the lack of data in low-resource languages. Model fine-tuning through MT instructions (MTInstruct) is a straightforward approach to the first challenge. However, MTInstruct is limited by weak cross-lingual signals inherent in the second challenge. AlignInstruct emphasizes cross-lingual supervision via a cross-lingual discriminator built using statistical word alignments. Our results based on fine-tuning the BLOOMZ models (1b1, 3b, and 7b1) in up to 24 unseen languages showed that: (1) LLMs can effectively translate unseen languages using MTInstruct; (2) AlignInstruct led to consistent improvements in translation quality across 48 translation directions involving English; (3) Discriminator-based instructions outperformed their generative counterparts as cross-lingual instructions; (4) AlignInstruct improved performance in 30 zero-shot directions.

We address the challenge of online Reinforcement Learning from Human Feedback (RLHF) with a focus on self-rewarding alignment methods. In online RLHF, obtaining feedback requires interaction with the environment, which can be costly when using additional reward models or the GPT-4 API. Current self-rewarding approaches rely heavily on the discriminator's judgment capabilities, which are effective for large-scale models but challenging to transfer to smaller ones. To address these limitations, we propose a novel, only-prompting self-rewarding online algorithm that generates preference datasets without relying on judgment capabilities. Additionally, we employ fine-grained arithmetic control over the optimality gap between positive and negative examples, generating more hard negatives in the later stages of training to help the model better capture subtle human preferences. Finally, we conduct extensive experiments on two base models, Mistral-7B and Mistral-Instruct-7B, which significantly bootstrap the performance of the reference model, achieving 34.5% in the Length-controlled Win Rates of AlpacaEval 2.0.

Generative Adversarial Networks (GANs) for text generation have recently received many criticisms, as they perform worse than their MLE counterparts. We suspect previous text GANs' inferior performance is due to the lack of a reliable guiding signal in their discriminators. To address this problem, we propose a generative adversarial imitation learning framework for text generation that uses large pre-trained language models to provide more reliable reward guidance. Our approach uses contrastive discriminator, and proximal policy optimization (PPO) to stabilize and improve text generation performance. For evaluation, we conduct experiments on a diverse set of unconditional and conditional text generation tasks. Experimental results show that TextGAIL achieves better performance in terms of both quality and diversity than the MLE baseline. We also validate our intuition that TextGAIL's discriminator demonstrates the capability of providing reasonable rewards with an additional task.

Generative Adversarial Networks (GANs) have achieved remarkable results in the task of generating realistic natural images. In most successful applications, GAN models share two common aspects: solving a challenging saddle point optimization problem, interpreted as an adversarial game between a generator and a discriminator functions; and parameterizing the generator and the discriminator as deep convolutional neural networks. The goal of this paper is to disentangle the contribution of these two factors to the success of GANs. In particular, we introduce Generative Latent Optimization (GLO), a framework to train deep convolutional generators using simple reconstruction losses. Throughout a variety of experiments, we show that GLO enjoys many of the desirable properties of GANs: synthesizing visually-appealing samples, interpolating meaningfully between samples, and performing linear arithmetic with noise vectors; all of this without the adversarial optimization scheme.

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

We study the problem of 3D object generation. We propose a novel framework, namely 3D Generative Adversarial Network (3D-GAN), which generates 3D objects from a probabilistic space by leveraging recent advances in volumetric convolutional networks and generative adversarial nets. The benefits of our model are three-fold: first, the use of an adversarial criterion, instead of traditional heuristic criteria, enables the generator to capture object structure implicitly and to synthesize high-quality 3D objects; second, the generator establishes a mapping from a low-dimensional probabilistic space to the space of 3D objects, so that we can sample objects without a reference image or CAD models, and explore the 3D object manifold; third, the adversarial discriminator provides a powerful 3D shape descriptor which, learned without supervision, has wide applications in 3D object recognition. Experiments demonstrate that our method generates high-quality 3D objects, and our unsupervisedly learned features achieve impressive performance on 3D object recognition, comparable with those of supervised learning methods.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Diffusion Models are popular generative modeling methods in various vision tasks, attracting significant attention. They can be considered a unique instance of self-supervised learning methods due to their independence from label annotation. This survey explores the interplay between diffusion models and representation learning. It provides an overview of diffusion models' essential aspects, including mathematical foundations, popular denoising network architectures, and guidance methods. Various approaches related to diffusion models and representation learning are detailed. These include frameworks that leverage representations learned from pre-trained diffusion models for subsequent recognition tasks and methods that utilize advancements in representation and self-supervised learning to enhance diffusion models. This survey aims to offer a comprehensive overview of the taxonomy between diffusion models and representation learning, identifying key areas of existing concerns and potential exploration. Github link: https://github.com/dongzhuoyao/Diffusion-Representation-Learning-Survey-Taxonomy

Trained machine learning models are increasingly used to perform high-impact tasks in areas such as law enforcement, medicine, education, and employment. In order to clarify the intended use cases of machine learning models and minimize their usage in contexts for which they are not well suited, we recommend that released models be accompanied by documentation detailing their performance characteristics. In this paper, we propose a framework that we call model cards, to encourage such transparent model reporting. Model cards are short documents accompanying trained machine learning models that provide benchmarked evaluation in a variety of conditions, such as across different cultural, demographic, or phenotypic groups (e.g., race, geographic location, sex, Fitzpatrick skin type) and intersectional groups (e.g., age and race, or sex and Fitzpatrick skin type) that are relevant to the intended application domains. Model cards also disclose the context in which models are intended to be used, details of the performance evaluation procedures, and other relevant information. While we focus primarily on human-centered machine learning models in the application fields of computer vision and natural language processing, this framework can be used to document any trained machine learning model. To solidify the concept, we provide cards for two supervised models: One trained to detect smiling faces in images, and one trained to detect toxic comments in text. We propose model cards as a step towards the responsible democratization of machine learning and related AI technology, increasing transparency into how well AI technology works. We hope this work encourages those releasing trained machine learning models to accompany model releases with similar detailed evaluation numbers and other relevant documentation.

We introduce MODEL SELECTOR, a framework for label-efficient selection of pretrained classifiers. Given a pool of unlabeled target data, MODEL SELECTOR samples a small subset of highly informative examples for labeling, in order to efficiently identify the best pretrained model for deployment on this target dataset. Through extensive experiments, we demonstrate that MODEL SELECTOR drastically reduces the need for labeled data while consistently picking the best or near-best performing model. Across 18 model collections on 16 different datasets, comprising over 1,500 pretrained models, MODEL SELECTOR reduces the labeling cost by up to 94.15% to identify the best model compared to the cost of the strongest baseline. Our results further highlight the robustness of MODEL SELECTOR in model selection, as it reduces the labeling cost by up to 72.41% when selecting a near-best model, whose accuracy is only within 1% of the best model.

Categorical variables often appear in datasets for classification and regression tasks, and they need to be encoded into numerical values before training. Since many encoders have been developed and can significantly impact performance, choosing the appropriate encoder for a task becomes a time-consuming yet important practical issue. This study broadly classifies machine learning models into three categories: 1) ATI models that implicitly perform affine transformations on inputs, such as multi-layer perceptron neural network; 2) Tree-based models that are based on decision trees, such as random forest; and 3) the rest, such as kNN. Theoretically, we prove that the one-hot encoder is the best choice for ATI models in the sense that it can mimic any other encoders by learning suitable weights from the data. We also explain why the target encoder and its variants are the most suitable encoders for tree-based models. This study conducted comprehensive computational experiments to evaluate 14 encoders, including one-hot and target encoders, along with eight common machine-learning models on 28 datasets. The computational results agree with our theoretical analysis. The findings in this study shed light on how to select the suitable encoder for data scientists in fields such as fraud detection, disease diagnosis, etc.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Discriminative self-supervised learning allows training models on any random group of internet images, and possibly recover salient information that helps differentiate between the images. Applied to ImageNet, this leads to object centric features that perform on par with supervised features on most object-centric downstream tasks. In this work, we question if using this ability, we can learn any salient and more representative information present in diverse unbounded set of images from across the globe. To do so, we train models on billions of random images without any data pre-processing or prior assumptions about what we want the model to learn. We scale our model size to dense 10 billion parameters to avoid underfitting on a large data size. We extensively study and validate our model performance on over 50 benchmarks including fairness, robustness to distribution shift, geographical diversity, fine grained recognition, image copy detection and many image classification datasets. The resulting model, not only captures well semantic information, it also captures information about artistic style and learns salient information such as geolocations and multilingual word embeddings based on visual content only. More importantly, we discover that such model is more robust, more fair, less harmful and less biased than supervised models or models trained on object centric datasets such as ImageNet.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

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

This paper presents a computationally efficient variant of gradient boosting for multi-class classification and multi-output regression tasks. Standard gradient boosting uses a 1-vs-all strategy for classifications tasks with more than two classes. This strategy translates in that one tree per class and iteration has to be trained. In this work, we propose the use of multi-output regressors as base models to handle the multi-class problem as a single task. In addition, the proposed modification allows the model to learn multi-output regression problems. An extensive comparison with other multi-ouptut based gradient boosting methods is carried out in terms of generalization and computational efficiency. The proposed method showed the best trade-off between generalization ability and training and predictions speeds.

Face recognition systems are widely deployed in safety-critical applications, including law enforcement, yet they exhibit bias across a range of socio-demographic dimensions, such as gender and race. Conventional wisdom dictates that model biases arise from biased training data. As a consequence, previous works on bias mitigation largely focused on pre-processing the training data, adding penalties to prevent bias from effecting the model during training, or post-processing predictions to debias them, yet these approaches have shown limited success on hard problems such as face recognition. In our work, we discover that biases are actually inherent to neural network architectures themselves. Following this reframing, we conduct the first neural architecture search for fairness, jointly with a search for hyperparameters. Our search outputs a suite of models which Pareto-dominate all other high-performance architectures and existing bias mitigation methods in terms of accuracy and fairness, often by large margins, on the two most widely used datasets for face identification, CelebA and VGGFace2. Furthermore, these models generalize to other datasets and sensitive attributes. We release our code, models and raw data files at https://github.com/dooleys/FR-NAS.

Triplet networks are widely used models that are characterized by good performance in classification and retrieval tasks. In this work we propose to train a triplet network by putting it as the discriminator in Generative Adversarial Nets (GANs). We make use of the good capability of representation learning of the discriminator to increase the predictive quality of the model. We evaluated our approach on Cifar10 and MNIST datasets and observed significant improvement on the classification performance using the simple k-nn method.

As industrial applications are increasingly automated by machine learning models, enforcing personal data ownership and intellectual property rights requires tracing training data back to their rightful owners. Membership inference algorithms approach this problem by using statistical techniques to discern whether a target sample was included in a model's training set. However, existing methods only utilize the unaltered target sample or simple augmentations of the target to compute statistics. Such a sparse sampling of the model's behavior carries little information, leading to poor inference capabilities. In this work, we use adversarial tools to directly optimize for queries that are discriminative and diverse. Our improvements achieve significantly more accurate membership inference than existing methods, especially in offline scenarios and in the low false-positive regime which is critical in legal settings. Code is available at https://github.com/YuxinWenRick/canary-in-a-coalmine.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Generative Adversarial Nets [8] were recently introduced as a novel way to train generative models. In this work we introduce the conditional version of generative adversarial nets, which can be constructed by simply feeding the data, y, we wish to condition on to both the generator and discriminator. We show that this model can generate MNIST digits conditioned on class labels. We also illustrate how this model could be used to learn a multi-modal model, and provide preliminary examples of an application to image tagging in which we demonstrate how this approach can generate descriptive tags which are not part of training labels.

Generalized Category Discovery (GCD) aims to identify a mix of known and novel categories within unlabeled data sets, providing a more realistic setting for image recognition. Essentially, GCD needs to remember existing patterns thoroughly to recognize novel categories. Recent state-of-the-art method SimGCD transfers the knowledge from known-class data to the learning of novel classes through debiased learning. However, some patterns are catastrophically forgot during adaptation and thus lead to poor performance in novel categories classification. To address this issue, we propose a novel learning approach, LegoGCD, which is seamlessly integrated into previous methods to enhance the discrimination of novel classes while maintaining performance on previously encountered known classes. Specifically, we design two types of techniques termed as Local Entropy Regularization (LER) and Dual-views Kullback Leibler divergence constraint (DKL). The LER optimizes the distribution of potential known class samples in unlabeled data, thus ensuring the preservation of knowledge related to known categories while learning novel classes. Meanwhile, DKL introduces Kullback Leibler divergence to encourage the model to produce a similar prediction distribution of two view samples from the same image. In this way, it successfully avoids mismatched prediction and generates more reliable potential known class samples simultaneously. Extensive experiments validate that the proposed LegoGCD effectively addresses the known category forgetting issue across all datasets, eg, delivering a 7.74% and 2.51% accuracy boost on known and novel classes in CUB, respectively. Our code is available at: https://github.com/Cliffia123/LegoGCD.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

We propose a new framework for estimating generative models via an adversarial process, in which we simultaneously train two models: a generative model G that captures the data distribution, and a discriminative model D that estimates the probability that a sample came from the training data rather than G. The training procedure for G is to maximize the probability of D making a mistake. This framework corresponds to a minimax two-player game. In the space of arbitrary functions G and D, a unique solution exists, with G recovering the training data distribution and D equal to 1/2 everywhere. In the case where G and D are defined by multilayer perceptrons, the entire system can be trained with backpropagation. There is no need for any Markov chains or unrolled approximate inference networks during either training or generation of samples. Experiments demonstrate the potential of the framework through qualitative and quantitative evaluation of the generated samples.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

We study a family of adversarial multiclass classification problems and provide equivalent reformulations in terms of: 1) a family of generalized barycenter problems introduced in the paper and 2) a family of multimarginal optimal transport problems where the number of marginals is equal to the number of classes in the original classification problem. These new theoretical results reveal a rich geometric structure of adversarial learning problems in multiclass classification and extend recent results restricted to the binary classification setting. A direct computational implication of our results is that by solving either the barycenter problem and its dual, or the MOT problem and its dual, we can recover the optimal robust classification rule and the optimal adversarial strategy for the original adversarial problem. Examples with synthetic and real data illustrate our results.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

Recently, pre-trained transformer-based architectures have proven to be very efficient at language modeling and understanding, given that they are trained on a large enough corpus. Applications in language generation for Arabic are still lagging in comparison to other NLP advances primarily due to the lack of advanced Arabic language generation models. In this paper, we develop the first advanced Arabic language generation model, AraGPT2, trained from scratch on a large Arabic corpus of internet text and news articles. Our largest model, AraGPT2-mega, has 1.46 billion parameters, which makes it the largest Arabic language model available. The Mega model was evaluated and showed success on different tasks including synthetic news generation, and zero-shot question answering. For text generation, our best model achieves a perplexity of 29.8 on held-out Wikipedia articles. A study conducted with human evaluators showed the significant success of AraGPT2-mega in generating news articles that are difficult to distinguish from articles written by humans. We thus develop and release an automatic discriminator model with a 98% percent accuracy in detecting model-generated text. The models are also publicly available, hoping to encourage new research directions and applications for Arabic NLP.

A central notion in practical and theoretical machine learning is that of a weak learner, classifiers that achieve better-than-random performance (on any given distribution over data), even by a small margin. Such weak learners form the practical basis for canonical machine learning methods such as boosting. In this work, we illustrate that prompt-based large language models can operate effectively as said weak learners. Specifically, we illustrate the use of a large language model (LLM) as a weak learner in a boosting algorithm applied to tabular data. We show that by providing (properly sampled according to the distribution of interest) text descriptions of tabular data samples, LLMs can produce a summary of the samples that serves as a template for classification and achieves the aim of acting as a weak learner on this task. We incorporate these models into a boosting approach, which in some settings can leverage the knowledge within the LLM to outperform traditional tree-based boosting. The model outperforms both few-shot learning and occasionally even more involved fine-tuning procedures, particularly for tasks involving small numbers of data points. The results illustrate the potential for prompt-based LLMs to function not just as few-shot learners themselves, but as components of larger machine learning pipelines.

In this paper, we propose a speed-up approach for subclass discriminant analysis and formulate a novel efficient multi-view solution to it. The speed-up approach is developed based on graph embedding and spectral regression approaches that involve eigendecomposition of the corresponding Laplacian matrix and regression to its eigenvectors. We show that by exploiting the structure of the between-class Laplacian matrix, the eigendecomposition step can be substituted with a much faster process. Furthermore, we formulate a novel criterion for multi-view subclass discriminant analysis and show that an efficient solution for it can be obtained in a similar to the single-view manner. We evaluate the proposed methods on nine single-view and nine multi-view datasets and compare them with related existing approaches. Experimental results show that the proposed solutions achieve competitive performance, often outperforming the existing methods. At the same time, they significantly decrease the training time.

In person re-identification (re-ID) task, it is still challenging to learn discriminative representation by deep learning, due to limited data. Generally speaking, the model will get better performance when increasing the amount of data. The addition of similar classes strengthens the ability of the classifier to identify similar identities, thereby improving the discrimination of representation. In this paper, we propose a Diverse and Compact Transformer (DC-Former) that can achieve a similar effect by splitting embedding space into multiple diverse and compact subspaces. Compact embedding subspace helps model learn more robust and discriminative embedding to identify similar classes. And the fusion of these diverse embeddings containing more fine-grained information can further improve the effect of re-ID. Specifically, multiple class tokens are used in vision transformer to represent multiple embedding spaces. Then, a self-diverse constraint (SDC) is applied to these spaces to push them away from each other, which makes each embedding space diverse and compact. Further, a dynamic weight controller(DWC) is further designed for balancing the relative importance among them during training. The experimental results of our method are promising, which surpass previous state-of-the-art methods on several commonly used person re-ID benchmarks.

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.

Advances in English language representation enabled a more sample-efficient pre-training task by Efficiently Learning an Encoder that Classifies Token Replacements Accurately (ELECTRA). Which, instead of training a model to recover masked tokens, it trains a discriminator model to distinguish true input tokens from corrupted tokens that were replaced by a generator network. On the other hand, current Arabic language representation approaches rely only on pretraining via masked language modeling. In this paper, we develop an Arabic language representation model, which we name AraELECTRA. Our model is pretrained using the replaced token detection objective on large Arabic text corpora. We evaluate our model on multiple Arabic NLP tasks, including reading comprehension, sentiment analysis, and named-entity recognition and we show that AraELECTRA outperforms current state-of-the-art Arabic language representation models, given the same pretraining data and with even a smaller model size.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Classifiers are important components in many computer vision tasks, serving as the foundational backbone of a wide variety of models employed across diverse applications. However, understanding the decision-making process of classifiers remains a significant challenge. We propose DiffEx, a novel method that leverages the capabilities of text-to-image diffusion models to explain classifier decisions. Unlike traditional GAN-based explainability models, which are limited to simple, single-concept analyses and typically require training a new model for each classifier, our approach can explain classifiers that focus on single concepts (such as faces or animals) as well as those that handle complex scenes involving multiple concepts. DiffEx employs vision-language models to create a hierarchical list of semantics, allowing users to identify not only the overarching semantic influences on classifiers (e.g., the 'beard' semantic in a facial classifier) but also their sub-types, such as 'goatee' or 'Balbo' beard. Our experiments demonstrate that DiffEx is able to cover a significantly broader spectrum of semantics compared to its GAN counterparts, providing a hierarchical tool that delivers a more detailed and fine-grained understanding of classifier decisions.

The rapid progress of image generative AI has blurred the boundary between synthetic and real images, fueling an arms race between generators and discriminators. This paper investigates the conditions under which discriminators are most disadvantaged in this competition. We analyze two key factors: data dimensionality and data complexity. While increased dimensionality often strengthens the discriminators ability to detect subtle inconsistencies, complexity introduces a more nuanced effect. Using Kolmogorov complexity as a measure of intrinsic dataset structure, we show that both very simple and highly complex datasets reduce the detectability of synthetic images; generators can learn simple datasets almost perfectly, whereas extreme diversity masks imperfections. In contrast, intermediate-complexity datasets create the most favorable conditions for detection, as generators fail to fully capture the distribution and their errors remain visible.

The goal of face recognition (FR) can be viewed as a pair similarity optimization problem, maximizing a similarity set S^p over positive pairs, while minimizing similarity set S^n over negative pairs. Ideally, it is expected that FR models form a well-discriminative feature space (WDFS) that satisfies mathcal{S^p} > mathcal{S^n}. With regard to WDFS, the existing deep feature learning paradigms (i.e., metric and classification losses) can be expressed as a unified perspective on different pair generation (PG) strategies. Unfortunately, in the metric loss (ML), it is infeasible to generate negative pairs taking all classes into account in each iteration because of the limited mini-batch size. In contrast, in classification loss (CL), it is difficult to generate extremely hard negative pairs owing to the convergence of the class weight vectors to their center. This leads to a mismatch between the two similarity distributions of the sampled pairs and all negative pairs. Thus, this paper proposes a unified negative pair generation (UNPG) by combining two PG strategies (i.e., MLPG and CLPG) from a unified perspective to alleviate the mismatch. UNPG introduces useful information about negative pairs using MLPG to overcome the CLPG deficiency. Moreover, it includes filtering the similarities of noisy negative pairs to guarantee reliable convergence and improved performance. Exhaustive experiments show the superiority of UNPG by achieving state-of-the-art performance across recent loss functions on public benchmark datasets. Our code and pretrained models are publicly available.

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close analogy to neural networks (NNs), that is, they have deep hierarchical structures and convolutional or local connections between layers. Equipped with tensorized truncated variational inference, our LGMs can be efficiently trained via backpropagation on mainstream deep learning frameworks such as PyTorch. To deal with continuous valued inputs, we use a simple yet effective soft-clamping strategy for efficient inference. Through extensive experiments on image classification over MNIST and FashionMNIST datasets, we demonstrate that LGMs are capable of achieving competitive results comparable to NNs of similar architectures, while preserving transparent probabilistic modeling.

We study the problem of (learning) algorithm comparison, where the goal is to find differences between models trained with two different learning algorithms. We begin by formalizing this goal as one of finding distinguishing feature transformations, i.e., input transformations that change the predictions of models trained with one learning algorithm but not the other. We then present ModelDiff, a method that leverages the datamodels framework (Ilyas et al., 2022) to compare learning algorithms based on how they use their training data. We demonstrate ModelDiff through three case studies, comparing models trained with/without data augmentation, with/without pre-training, and with different SGD hyperparameters. Our code is available at https://github.com/MadryLab/modeldiff .

Recent studies indicate that kernel machines can often perform similarly or better than deep neural networks (DNNs) on small datasets. The interest in kernel machines has been additionally bolstered by the discovery of their equivalence to wide neural networks in certain regimes. However, a key feature of DNNs is their ability to scale the model size and training data size independently, whereas in traditional kernel machines model size is tied to data size. Because of this coupling, scaling kernel machines to large data has been computationally challenging. In this paper, we provide a way forward for constructing large-scale general kernel models, which are a generalization of kernel machines that decouples the model and data, allowing training on large datasets. Specifically, we introduce EigenPro 3.0, an algorithm based on projected dual preconditioned SGD and show scaling to model and data sizes which have not been possible with existing kernel methods.

Few-shot object classification is the task of classifying objects in an image with limited number of examples as supervision. We propose a one-shot/few-shot classification model that can classify an object of any unseen class into a relatively general category in an hierarchically based classification. Our model uses a three-level hierarchical contrastive loss based ResNet152 classifier for classifying an object based on its features extracted from Image embedding, not used during the training phase. For our experimentation, we have used a subset of the ImageNet (ILSVRC-12) dataset that contains only the animal classes for training our model and created our own dataset of unseen classes for evaluating our trained model. Our model provides satisfactory results in classifying the unknown objects into a generic category which has been later discussed in greater detail.

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information -- the class-attribute matrix -- and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

As deep vision models' popularity rapidly increases, there is a growing emphasis on explanations for model predictions. The inherently explainable attribution method aims to enhance the understanding of model behavior by identifying the important regions in images that significantly contribute to predictions. It is achieved by cooperatively training a selector (generating an attribution map to identify important features) and a predictor (making predictions using the identified features). Despite many advancements, existing methods suffer from the incompleteness problem, where discriminative features are masked out, and the interlocking problem, where the non-optimized selector initially selects noise, causing the predictor to fit on this noise and perpetuate the cycle. To address these problems, we introduce a new objective that discourages the presence of discriminative features in the masked-out regions thus enhancing the comprehensiveness of feature selection. A pre-trained detector is introduced to detect discriminative features in the masked-out region. If the selector selects noise instead of discriminative features, the detector can observe and break the interlocking situation by penalizing the selector. Extensive experiments show that our model makes accurate predictions with higher accuracy than the regular black-box model, and produces attribution maps with high feature coverage, localization ability, fidelity and robustness. Our code will be available at https://github.com/Zood123/COMET{https://github.com/Zood123/COMET}.

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al. 2023) modified the Neural Network Gaussian Process (NNGP) limit of Bayesian neural networks so that representation learning is retained. Furthermore, they found that applying this modified limit to a deep Gaussian process gives a practical learning algorithm which they dubbed the deep kernel machine (DKM). However, they only considered the simplest possible setting: regression in small, fully connected networks with e.g. 10 input features. Here, we introduce convolutional deep kernel machines. This required us to develop a novel inter-domain inducing point approximation, as well as introducing and experimentally assessing a number of techniques not previously seen in DKMs, including analogues to batch normalisation, different likelihoods, and different types of top-layer. The resulting model trains in roughly 77 GPU hours, achieving around 99% test accuracy on MNIST, 72% on CIFAR-100, and 92.7% on CIFAR-10, which is SOTA for kernel methods.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Generalized Category Discovery (GCD) aims to discover novel categories in unlabelled datasets using knowledge learned from labelled samples. Previous studies argued that parametric classifiers are prone to overfitting to seen categories, and endorsed using a non-parametric classifier formed with semi-supervised k-means. However, in this study, we investigate the failure of parametric classifiers, verify the effectiveness of previous design choices when high-quality supervision is available, and identify unreliable pseudo-labels as a key problem. We demonstrate that two prediction biases exist: the classifier tends to predict seen classes more often, and produces an imbalanced distribution across seen and novel categories. Based on these findings, we propose a simple yet effective parametric classification method that benefits from entropy regularisation, achieves state-of-the-art performance on multiple GCD benchmarks and shows strong robustness to unknown class numbers. We hope the investigation and proposed simple framework can serve as a strong baseline to facilitate future studies in this field. Our code is available at: https://github.com/CVMI-Lab/SimGCD.

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

Mixture of experts (MoE) are a popular class of statistical and machine learning models that have gained attention over the years due to their flexibility and efficiency. In this work, we consider Gaussian-gated localized MoE (GLoME) and block-diagonal covariance localized MoE (BLoME) regression models to present nonlinear relationships in heterogeneous data with potential hidden graph-structured interactions between high-dimensional predictors. These models pose difficult statistical estimation and model selection questions, both from a computational and theoretical perspective. This paper is devoted to the study of the problem of model selection among a collection of GLoME or BLoME models characterized by the number of mixture components, the complexity of Gaussian mean experts, and the hidden block-diagonal structures of the covariance matrices, in a penalized maximum likelihood estimation framework. In particular, we establish non-asymptotic risk bounds that take the form of weak oracle inequalities, provided that lower bounds for the penalties hold. The good empirical behavior of our models is then demonstrated on synthetic and real datasets.

The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and margin growth. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to the learning process. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verifying the theoretical results or significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks because our idea can solve these three issues. Code is available at: https://github.com/lancopku/well-classified-examples-are-underestimated.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

This paper studies the problem of generalized zero-shot learning which requires the model to train on image-label pairs from some seen classes and test on the task of classifying new images from both seen and unseen classes. Most previous models try to learn a fixed one-directional mapping between visual and semantic space, while some recently proposed generative methods try to generate image features for unseen classes so that the zero-shot learning problem becomes a traditional fully-supervised classification problem. In this paper, we propose a novel model that provides a unified framework for three different approaches: visual-> semantic mapping, semantic->visual mapping, and metric learning. Specifically, our proposed model consists of a feature generator that can generate various visual features given class embeddings as input, a regressor that maps each visual feature back to its corresponding class embedding, and a discriminator that learns to evaluate the closeness of an image feature and a class embedding. All three components are trained under the combination of cyclic consistency loss and dual adversarial loss. Experimental results show that our model not only preserves higher accuracy in classifying images from seen classes, but also performs better than existing state-of-the-art models in in classifying images from unseen classes.

Real-world scenarios are usually accompanied by continuously appearing classes with scare labeled samples, which require the machine learning model to incrementally learn new classes and maintain the knowledge of base classes. In this Few-Shot Class-Incremental Learning (FSCIL) scenario, existing methods either introduce extra learnable components or rely on a frozen feature extractor to mitigate catastrophic forgetting and overfitting problems. However, we find a tendency for existing methods to misclassify the samples of new classes into base classes, which leads to the poor performance of new classes. In other words, the strong discriminability of base classes distracts the classification of new classes. To figure out this intriguing phenomenon, we observe that although the feature extractor is only trained on base classes, it can surprisingly represent the semantic similarity between the base and unseen new classes. Building upon these analyses, we propose a simple yet effective Training-frEE calibratioN (TEEN) strategy to enhance the discriminability of new classes by fusing the new prototypes (i.e., mean features of a class) with weighted base prototypes. In addition to standard benchmarks in FSCIL, TEEN demonstrates remarkable performance and consistent improvements over baseline methods in the few-shot learning scenario. Code is available at: https://github.com/wangkiw/TEEN

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and proposes a novel framework for differentiable model selection integrating machine learning and combinatorial optimization. The framework is tailored for ensemble learning, a strategy that combines the outputs of individually pre-trained models, and learns to select appropriate ensemble members for a particular input sample by transforming the ensemble learning task into a differentiable selection program trained end-to-end within the ensemble learning model. Tested on various tasks, the proposed framework demonstrates its versatility and effectiveness, outperforming conventional and advanced consensus rules across a variety of settings and learning tasks.

We consider the problem of designing models to leverage a recently introduced approximate model averaging technique called dropout. We define a simple new model called maxout (so named because its output is the max of a set of inputs, and because it is a natural companion to dropout) designed to both facilitate optimization by dropout and improve the accuracy of dropout's fast approximate model averaging technique. We empirically verify that the model successfully accomplishes both of these tasks. We use maxout and dropout to demonstrate state of the art classification performance on four benchmark datasets: MNIST, CIFAR-10, CIFAR-100, and SVHN.

In this paper, we discuss the methods we applied at SemEval-2023 Task 10: Towards the Explainable Detection of Online Sexism. Given an input text, we perform three classification tasks to predict whether the text is sexist and classify the sexist text into subcategories in order to provide an additional explanation as to why the text is sexist. We explored many different types of models, including GloVe embeddings as the baseline approach, transformer-based deep learning models like BERT, RoBERTa, and DeBERTa, ensemble models, and model blending. We explored various data cleaning and augmentation methods to improve model performance. Pre-training transformer models yielded significant improvements in performance, and ensembles and blending slightly improved robustness in the F1 score.

Dynamic model pruning is a recent direction that allows for the inference of a different sub-network for each input sample during deployment. However, current dynamic methods rely on learning a continuous channel gating through regularization by inducing sparsity loss. This formulation introduces complexity in balancing different losses (e.g task loss, regularization loss). In addition, regularization based methods lack transparent tradeoff hyperparameter selection to realize a computational budget. Our contribution is two-fold: 1) decoupled task and pruning losses. 2) Simple hyperparameter selection that enables FLOPs reduction estimation before training. Inspired by the Hebbian theory in Neuroscience: "neurons that fire together wire together", we propose to predict a mask to process k filters in a layer based on the activation of its previous layer. We pose the problem as a self-supervised binary classification problem. Each mask predictor module is trained to predict if the log-likelihood for each filter in the current layer belongs to the top-k activated filters. The value k is dynamically estimated for each input based on a novel criterion using the mass of heatmaps. We show experiments on several neural architectures, such as VGG, ResNet and MobileNet on CIFAR and ImageNet datasets. On CIFAR, we reach similar accuracy to SOTA methods with 15% and 24% higher FLOPs reduction. Similarly in ImageNet, we achieve lower drop in accuracy with up to 13% improvement in FLOPs reduction.

We marry ideas from deep neural networks and approximate Bayesian inference to derive a generalised class of deep, directed generative models, endowed with a new algorithm for scalable inference and learning. Our algorithm introduces a recognition model to represent approximate posterior distributions, and that acts as a stochastic encoder of the data. We develop stochastic back-propagation -- rules for back-propagation through stochastic variables -- and use this to develop an algorithm that allows for joint optimisation of the parameters of both the generative and recognition model. We demonstrate on several real-world data sets that the model generates realistic samples, provides accurate imputations of missing data and is a useful tool for high-dimensional data visualisation.

Machine learning has opened up new tools for financial fraud detection. Using a sample of annotated transactions, a machine learning classification algorithm learns to detect frauds. With growing credit card transaction volumes and rising fraud percentages there is growing interest in finding appropriate machine learning classifiers for detection. However, fraud data sets are diverse and exhibit inconsistent characteristics. As a result, a model effective on a given data set is not guaranteed to perform on another. Further, the possibility of temporal drift in data patterns and characteristics over time is high. Additionally, fraud data has massive and varying imbalance. In this work, we evaluate sampling methods as a viable pre-processing mechanism to handle imbalance and propose a data-driven classifier selection strategy for characteristic highly imbalanced fraud detection data sets. The model derived based on our selection strategy surpasses peer models, whilst working in more realistic conditions, establishing the effectiveness of the strategy.

Machine learning models are often used to decide who will receive a loan, a job interview, or a public benefit. Standard techniques to build these models use features about people but overlook their actionability. In turn, models can assign predictions that are fixed, meaning that consumers who are denied loans, interviews, or benefits may be permanently locked out from access to credit, employment, or assistance. In this work, we introduce a formal testing procedure to flag models that assign fixed predictions that we call recourse verification. We develop machinery to reliably determine if a given model can provide recourse to its decision subjects from a set of user-specified actionability constraints. We demonstrate how our tools can ensure recourse and adversarial robustness in real-world datasets and use them to study the infeasibility of recourse in real-world lending datasets. Our results highlight how models can inadvertently assign fixed predictions that permanently bar access, and we provide tools to design algorithms that account for actionability when developing models.

We tackle the problem of novel class discovery, which aims to learn novel classes without supervision based on labeled data from known classes. A key challenge lies in transferring the knowledge in the known-class data to the learning of novel classes. Previous methods mainly focus on building a shared representation space for knowledge transfer and often ignore modeling class relations. To address this, we introduce a class relation representation for the novel classes based on the predicted class distribution of a model trained on known classes. Empirically, we find that such class relation becomes less informative during typical discovery training. To prevent such information loss, we propose a novel knowledge distillation framework, which utilizes our class-relation representation to regularize the learning of novel classes. In addition, to enable a flexible knowledge distillation scheme for each data point in novel classes, we develop a learnable weighting function for the regularization, which adaptively promotes knowledge transfer based on the semantic similarity between the novel and known classes. To validate the effectiveness and generalization of our method, we conduct extensive experiments on multiple benchmarks, including CIFAR100, Stanford Cars, CUB, and FGVC-Aircraft datasets. Our results demonstrate that the proposed method outperforms the previous state-of-the-art methods by a significant margin on almost all benchmarks. Code is available at https://github.com/kleinzcy/Cr-KD-NCD{here}.

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

Pretrained models have become a commodity and offer strong results on a broad range of tasks. In this work, we focus on classification and seek to learn a unique encoder able to take from several complementary pretrained models. We aim at even stronger generalization across a variety of classification tasks. We propose to learn such an encoder via multi-teacher distillation. We first thoroughly analyse standard distillation when driven by multiple strong teachers with complementary strengths. Guided by this analysis, we gradually propose improvements to the basic distillation setup. Among those, we enrich the architecture of the encoder with a ladder of expendable projectors, which increases the impact of intermediate features during distillation, and we introduce teacher dropping, a regularization mechanism that better balances the teachers' influence. Our final distillation strategy leads to student models of the same capacity as any of the teachers, while retaining or improving upon the performance of the best teacher for each task. Project page and code: https://europe.naverlabs.com/unic

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

Predicting gender by the first name is not a simple task. In many applications, especially in the natural language processing (NLP) field, this task may be necessary, mainly when considering foreign names. In this paper, we examined and implemented several machine learning algorithms, such as extra trees, KNN, Naive Bayes, SVM, random forest, gradient boosting, light GBM, logistic regression, ridge classifier, and deep neural network models, such as MLP, RNN, GRU, CNN, and BiLSTM, to classify gender through the first name. A dataset of Brazilian names is used to train and evaluate the models. We analyzed the accuracy, recall, precision, f1 score, and confusion matrix to measure the models' performances. The results indicate that the gender prediction can be performed from the feature extraction strategy looking at the names as a set of strings. Some models accurately predict gender in more than 95% of the cases. The recurrent models overcome the feedforward models in this binary classification problem.

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.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

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

Given a (machine learning) classifier and a collection of unlabeled data, how can we efficiently identify misclassification patterns presented in this dataset? To address this problem, we propose a human-machine collaborative framework that consists of a team of human annotators and a sequential recommendation algorithm. The recommendation algorithm is conceptualized as a stochastic sampler that, in each round, queries the annotators a subset of samples for their true labels and obtains the feedback information on whether the samples are misclassified. The sampling mechanism needs to balance between discovering new patterns of misclassification (exploration) and confirming the potential patterns of classification (exploitation). We construct a determinantal point process, whose intensity balances the exploration-exploitation trade-off through the weighted update of the posterior at each round to form the generator of the stochastic sampler. The numerical results empirically demonstrate the competitive performance of our framework on multiple datasets at various signal-to-noise ratios.

Practitioners who wish to build real-world applications that rely on ranking models, need to decide which modelling paradigm to follow. This is not an easy choice to make, as the research literature on this topic has been shifting in recent years. In particular, whilst Gradient Boosted Decision Trees (GBDTs) have reigned supreme for more than a decade, the flexibility of neural networks has allowed them to catch up, and recent works report accuracy metrics that are on par. Nevertheless, practical systems require considerations beyond mere accuracy metrics to decide on a modelling approach. This work describes our experiences in balancing some of the trade-offs that arise, presenting a case study on a short-video recommendation application. We highlight (1) neural networks' ability to handle large training data size, user- and item-embeddings allows for more accurate models than GBDTs in this setting, and (2) because GBDTs are less reliant on specialised hardware, they can provide an equally accurate model at a lower cost. We believe these findings are of relevance to researchers in both academia and industry, and hope they can inspire practitioners who need to make similar modelling choices in the future.

Enhancing the intelligibility and interpretability of machine learning is a crucial task in responding to the demand for Explicability as an AI principle, and in promoting the better social implementation of AI. The aim of our research is to contribute to this improvement by reformulating machine learning models through the lens of category theory, thereby developing a semantic framework for structuring and understanding AI systems. Our categorical modeling in this paper clarifies and formalizes the structural interplay between residuals and parameters in supervised learning. The present paper focuses on the multiple linear regression model, which represents the most basic form of supervised learning. By defining two concrete categories corresponding to parameters and data, along with an adjoint pair of functors between them, we introduce our categorical formulation of supervised learning. We show that the essential structure of this framework is captured by what we call the Gauss-Markov Adjunction. Within this setting, the dual flow of information can be explicitly described as a correspondence between variations in parameters and residuals. The ordinary least squares estimator for the parameters and the minimum residual are related via the preservation of limits by the right adjoint functor. Furthermore, we position this formulation as an instance of extended denotational semantics for supervised learning, and propose applying a semantic perspective developed in theoretical computer science as a formal foundation for Explicability in AI.

Expectation maximization (EM) algorithm is to find maximum likelihood solution for models having latent variables. A typical example is Gaussian Mixture Model (GMM) which requires Gaussian assumption, however, natural images are highly non-Gaussian so that GMM cannot be applied to perform clustering task on pixel space. To overcome such limitation, we propose a GAN based EM learning framework that can maximize the likelihood of images and estimate the latent variables with only the constraint of L-Lipschitz continuity. We call this model GAN-EM, which is a framework for image clustering, semi-supervised classification and dimensionality reduction. In M-step, we design a novel loss function for discriminator of GAN to perform maximum likelihood estimation (MLE) on data with soft class label assignments. Specifically, a conditional generator captures data distribution for K classes, and a discriminator tells whether a sample is real or fake for each class. Since our model is unsupervised, the class label of real data is regarded as latent variable, which is estimated by an additional network (E-net) in E-step. The proposed GAN-EM achieves state-of-the-art clustering and semi-supervised classification results on MNIST, SVHN and CelebA, as well as comparable quality of generated images to other recently developed generative models.

A very simple way to improve the performance of almost any machine learning algorithm is to train many different models on the same data and then to average their predictions. Unfortunately, making predictions using a whole ensemble of models is cumbersome and may be too computationally expensive to allow deployment to a large number of users, especially if the individual models are large neural nets. Caruana and his collaborators have shown that it is possible to compress the knowledge in an ensemble into a single model which is much easier to deploy and we develop this approach further using a different compression technique. We achieve some surprising results on MNIST and we show that we can significantly improve the acoustic model of a heavily used commercial system by distilling the knowledge in an ensemble of models into a single model. We also introduce a new type of ensemble composed of one or more full models and many specialist models which learn to distinguish fine-grained classes that the full models confuse. Unlike a mixture of experts, these specialist models can be trained rapidly and in parallel.

Solving complex classification tasks using deep neural networks typically requires large amounts of annotated data. However, corresponding class labels are noisy when provided by error-prone annotators, e.g., crowd workers. Training standard deep neural networks leads to subpar performances in such multi-annotator supervised learning settings. We address this issue by presenting a probabilistic training framework named multi-annotator deep learning (MaDL). A ground truth and an annotator performance model are jointly trained in an end-to-end learning approach. The ground truth model learns to predict instances' true class labels, while the annotator performance model infers probabilistic estimates of annotators' performances. A modular network architecture enables us to make varying assumptions regarding annotators' performances, e.g., an optional class or instance dependency. Further, we learn annotator embeddings to estimate annotators' densities within a latent space as proxies of their potentially correlated annotations. Together with a weighted loss function, we improve the learning from correlated annotation patterns. In a comprehensive evaluation, we examine three research questions about multi-annotator supervised learning. Our findings indicate MaDL's state-of-the-art performance and robustness against many correlated, spamming annotators.

Much of recent progress in NLU was shown to be due to models' learning dataset-specific heuristics. We conduct a case study of generalization in NLI (from MNLI to the adversarially constructed HANS dataset) in a range of BERT-based architectures (adapters, Siamese Transformers, HEX debiasing), as well as with subsampling the data and increasing the model size. We report 2 successful and 3 unsuccessful strategies, all providing insights into how Transformer-based models learn to generalize.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.

Deep neural networks (DNNs) have remarkably succeeded in various image processing tasks. However, their large size and computational complexity present significant challenges for deploying them in resource-constrained environments. This paper presents an innovative approach for integrating Mamba Architecture within a Progressive Knowledge Distillation (PKD) process to address the challenge of reducing model complexity while maintaining accuracy in image classification tasks. The proposed framework distills a large teacher model into progressively smaller student models, designed using Mamba blocks. Each student model is trained using Selective-State-Space Models (S-SSM) within the Mamba blocks, focusing on important input aspects while reducing computational complexity. The work's preliminary experiments use MNIST and CIFAR-10 as datasets to demonstrate the effectiveness of this approach. For MNIST, the teacher model achieves 98% accuracy. A set of seven student models as a group retained 63% of the teacher's FLOPs, approximating the teacher's performance with 98% accuracy. The weak student used only 1% of the teacher's FLOPs and maintained 72% accuracy. Similarly, for CIFAR-10, the students achieved 1% less accuracy compared to the teacher, with the small student retaining 5% of the teacher's FLOPs to achieve 50% accuracy. These results confirm the flexibility and scalability of Mamba Architecture, which can be integrated into PKD, succeeding in the process of finding students as weak learners. The framework provides a solution for deploying complex neural networks in real-time applications with a reduction in computational cost.

We present a new approach for mitigating unfairness in learned classifiers. In particular, we focus on binary classification tasks over individuals from two populations, where, as our criterion for fairness, we wish to achieve similar false positive rates in both populations, and similar false negative rates in both populations. As a proof of concept, we implement our approach and empirically evaluate its ability to achieve both fairness and accuracy, using datasets from the fields of criminal risk assessment, credit, lending, and college admissions.

Dataset distillation has become a popular method for compressing large datasets into smaller, more efficient representations while preserving critical information for model training. Data features are broadly categorized into two types: instance-specific features, which capture unique, fine-grained details of individual examples, and class-general features, which represent shared, broad patterns across a class. However, previous approaches often struggle to balance these features-some focus solely on class-general patterns, neglecting finer instance details, while others prioritize instance-specific features, overlooking the shared characteristics essential for class-level understanding. In this paper, we introduce the Non-Critical Region Refinement Dataset Distillation (NRR-DD) method, which preserves instance-specific details and fine-grained regions in synthetic data while enriching non-critical regions with class-general information. This approach enables models to leverage all pixel information, capturing both feature types and enhancing overall performance. Additionally, we present Distance-Based Representative (DBR) knowledge transfer, which eliminates the need for soft labels in training by relying on the distance between synthetic data predictions and one-hot encoded labels. Experimental results show that NRR-DD achieves state-of-the-art performance on both small- and large-scale datasets. Furthermore, by storing only two distances per instance, our method delivers comparable results across various settings. The code is available at https://github.com/tmtuan1307/NRR-DD.

In this paper, we present a general scheme for building reproducible and extensible datasets for website phishing detection. The aim is to (1) enable comparison of systems using different features, (2) overtake the short-lived nature of phishing websites, and (3) keep track of the evolution of phishing tactics. For experimenting the proposed scheme, we start by adopting a refined classification of website phishing features and we systematically select a total of 87 commonly recognized ones, we classify them, and we made them subjects for relevance and runtime analysis. We use the collected set of features to build a dataset in light of the proposed scheme. Thereafter, we use a conceptual replication approach to check the genericity of former findings for the built dataset. Specifically, we evaluate the performance of classifiers on individual classes and on combinations of classes, we investigate different combinations of models, and we explore the effects of filter and wrapper methods on the selection of discriminative features. The results show that Random Forest is the most predictive classifier. Features gathered from external services are found the most discriminative where features extracted from web page contents are found less distinguishing. Besides external service based features, some web page content features are found time consuming and not suitable for runtime detection. The use of hybrid features provided the best accuracy score of 96.61%. By investigating different feature selection methods, filter-based ranking together with incremental removal of less important features improved the performance up to 96.83% better than wrapper methods.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

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.

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that represent tabular time series that can optionally leverage their hierarchical structure. This results in two architectures for tabular time series: one for learning representations that is analogous to BERT and can be pre-trained end-to-end and used in downstream tasks, and one that is akin to GPT and can be used for generation of realistic synthetic tabular sequences. We demonstrate our models on two datasets: a synthetic credit card transaction dataset, where the learned representations are used for fraud detection and synthetic data generation, and on a real pollution dataset, where the learned encodings are used to predict atmospheric pollutant concentrations. Code and data are available at https://github.com/IBM/TabFormer.

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

Recent advancements in both representation learning and function learning have demonstrated substantial promise across diverse domains of artificial intelligence. However, the effective integration of these paradigms poses a significant challenge, particularly in cases where users must manually decide whether to apply a representation learning or function learning model based on dataset characteristics. To address this issue, we introduce MLP-KAN, a unified method designed to eliminate the need for manual model selection. By integrating Multi-Layer Perceptrons (MLPs) for representation learning and Kolmogorov-Arnold Networks (KANs) for function learning within a Mixture-of-Experts (MoE) architecture, MLP-KAN dynamically adapts to the specific characteristics of the task at hand, ensuring optimal performance. Embedded within a transformer-based framework, our work achieves remarkable results on four widely-used datasets across diverse domains. Extensive experimental evaluation demonstrates its superior versatility, delivering competitive performance across both deep representation and function learning tasks. These findings highlight the potential of MLP-KAN to simplify the model selection process, offering a comprehensive, adaptable solution across various domains. Our code and weights are available at https://github.com/DLYuanGod/MLP-KAN.

In this paper, we present our novel systems developed for the SemEval-2024 hallucination detection task. Our investigation spans a range of strategies to compare model predictions with reference standards, encompassing diverse baselines, the refinement of pre-trained encoders through supervised learning, and an ensemble approaches utilizing several high-performing models. Through these explorations, we introduce three distinct methods that exhibit strong performance metrics. To amplify our training data, we generate additional training samples from unlabelled training subset. Furthermore, we provide a detailed comparative analysis of our approaches. Notably, our premier method achieved a commendable 9th place in the competition's model-agnostic track and 17th place in model-aware track, highlighting its effectiveness and potential.

Machine learning models are now able to convert user-written text descriptions into naturalistic images. These models are available to anyone online and are being used to generate millions of images a day. We investigate these models and find that they amplify dangerous and complex stereotypes. Moreover, we find that the amplified stereotypes are difficult to predict and not easily mitigated by users or model owners. The extent to which these image-generation models perpetuate and amplify stereotypes and their mass deployment is cause for serious concern.

In this paper, we introduce the gated perceptron, an enhancement of the conventional perceptron, which incorporates an additional input computed as the product of the existing inputs. This allows the perceptron to capture non-linear interactions between features, significantly improving its ability to classify and regress on complex datasets. We explore its application in both linear and non-linear regression tasks using the Iris dataset, as well as binary and multi-class classification problems, including the PIMA Indian dataset and Breast Cancer Wisconsin dataset. Our results demonstrate that the gated perceptron can generate more distinct decision regions compared to traditional perceptrons, enhancing its classification capabilities, particularly in handling non-linear data. Performance comparisons show that the gated perceptron competes with state-of-the-art classifiers while maintaining a simple architecture.

When the performance of a machine learning model varies over groups defined by sensitive attributes (e.g., gender or ethnicity), the performance disparity can be expressed in terms of the probability distributions of the input and output variables over each group. In this paper, we exploit this fact to reduce the disparate impact of a fixed classification model over a population of interest. Given a black-box classifier, we aim to eliminate the performance gap by perturbing the distribution of input variables for the disadvantaged group. We refer to the perturbed distribution as a counterfactual distribution, and characterize its properties for common fairness criteria. We introduce a descent algorithm to learn a counterfactual distribution from data. We then discuss how the estimated distribution can be used to build a data preprocessor that can reduce disparate impact without training a new model. We validate our approach through experiments on real-world datasets, showing that it can repair different forms of disparity without a significant drop in accuracy.

Machine Learning as a Service (MLaaS) is often provided as a pay-per-query, black-box system to clients. Such a black-box approach not only hinders open replication, validation, and interpretation of model results, but also makes it harder for white-hat researchers to identify vulnerabilities in the MLaaS systems. Model extraction is a promising technique to address these challenges by reverse-engineering black-box models. Since training data is typically unavailable for MLaaS models, this paper focuses on the realistic version of it: data-free model extraction. We propose a data-free model extraction approach, CaBaGe, to achieve higher model extraction accuracy with a small number of queries. Our innovations include (1) a novel experience replay for focusing on difficult training samples; (2) an ensemble of generators for steadily producing diverse synthetic data; and (3) a selective filtering process for querying the victim model with harder, more balanced samples. In addition, we create a more realistic setting, for the first time, where the attacker has no knowledge of the number of classes in the victim training data, and create a solution to learn the number of classes on the fly. Our evaluation shows that CaBaGe outperforms existing techniques on seven datasets -- MNIST, FMNIST, SVHN, CIFAR-10, CIFAR-100, ImageNet-subset, and Tiny ImageNet -- with an accuracy improvement of the extracted models by up to 43.13%. Furthermore, the number of queries required to extract a clone model matching the final accuracy of prior work is reduced by up to 75.7%.

Bank credit risk is a significant challenge in modern financial transactions, and the ability to identify qualified credit card holders among a large number of applicants is crucial for the profitability of a bank'sbank's credit card business. In the past, screening applicants'applicants' conditions often required a significant amount of manual labor, which was time-consuming and labor-intensive. Although the accuracy and reliability of previously used ML models have been continuously improving, the pursuit of more reliable and powerful AI intelligent models is undoubtedly the unremitting pursuit by major banks in the financial industry. In this study, we used a dataset of over 40,000 records provided by a commercial bank as the research object. We compared various dimensionality reduction techniques such as PCA and T-SNE for preprocessing high-dimensional datasets and performed in-depth adaptation and tuning of distributed models such as LightGBM and XGBoost, as well as deep models like Tabnet. After a series of research and processing, we obtained excellent research results by combining SMOTEENN with these techniques. The experiments demonstrated that LightGBM combined with PCA and SMOTEENN techniques can assist banks in accurately predicting potential high-quality customers, showing relatively outstanding performance compared to other models.

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification, regression, and learning to rank. A fully corrective step is incorporated to remedy the pitfall of greedy function approximation of classic gradient boosting decision tree. The proposed model rendered outperforming results against state-of-the-art boosting methods in all three tasks on multiple datasets. An ablation study is performed to shed light on the effect of each model components and model hyperparameters.

Discovering novel concepts in unlabelled datasets and in a continuous manner is an important desideratum of lifelong learners. In the literature such problems have been partially addressed under very restricted settings, where novel classes are learned by jointly accessing a related labelled set (e.g., NCD) or by leveraging only a supervisedly pre-trained model (e.g., class-iNCD). In this work we challenge the status quo in class-iNCD and propose a learning paradigm where class discovery occurs continuously and truly unsupervisedly, without needing any related labelled set. In detail, we propose to exploit the richer priors from strong self-supervised pre-trained models (PTM). To this end, we propose simple baselines, composed of a frozen PTM backbone and a learnable linear classifier, that are not only simple to implement but also resilient under longer learning scenarios. We conduct extensive empirical evaluation on a multitude of benchmarks and show the effectiveness of our proposed baselines when compared with sophisticated state-of-the-art methods. The code is open source.

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We propose a general deep probabilistic model designed to produce interpretable predictions. The model parameters can be learned via maximum likelihood, and the method can be adapted to any predictor network architecture and any type of prediction problem. Our method is a case of amortized interpretability models, where a neural network is used as a selector to allow for fast interpretation at inference time. Several popular interpretability methods are shown to be particular cases of regularised maximum likelihood for our general model. We propose new datasets with ground truth selection which allow for the evaluation of the features importance map. Using these datasets, we show experimentally that using multiple imputation provides more reasonable interpretations.

Large Language Models (LLMs) have shown remarkable capabilities across various natural language processing tasks but often struggle to excel uniformly in diverse or complex domains. We propose a novel ensemble method - Diverse Fingerprint Ensemble (DFPE), which leverages the complementary strengths of multiple LLMs to achieve more robust performance. Our approach involves: (1) clustering models based on response "fingerprints" patterns, (2) applying a quantile-based filtering mechanism to remove underperforming models at a per-subject level, and (3) assigning adaptive weights to remaining models based on their subject-wise validation accuracy. In experiments on the Massive Multitask Language Understanding (MMLU) benchmark, DFPE outperforms the best single model by 3% overall accuracy and 5% in discipline-level accuracy. This method increases the robustness and generalization of LLMs and underscores how model selection, diversity preservation, and performance-driven weighting can effectively address challenging, multi-faceted language understanding tasks.

In recent years, deep learning models have been extensively applied to biological data across various modalities. Discriminative deep learning models have excelled at classifying images into categories (e.g., healthy versus diseased, treated versus untreated). However, these models are often perceived as black boxes due to their complexity and lack of interpretability, limiting their application in real-world biological contexts. In biological research, explainability is essential: understanding classifier decisions and identifying subtle differences between conditions are critical for elucidating the effects of treatments, disease progression, and biological processes. To address this challenge, we propose DiffEx, a method for generating visually interpretable attributes to explain classifiers and identify microscopic cellular variations between different conditions. We demonstrate the effectiveness of DiffEx in explaining classifiers trained on natural and biological images. Furthermore, we use DiffEx to uncover phenotypic differences within microscopy datasets. By offering insights into cellular variations through classifier explanations, DiffEx has the potential to advance the understanding of diseases and aid drug discovery by identifying novel biomarkers.

In recent years, knowledge distillation has been proved to be an effective solution for model compression. This approach can make lightweight student models acquire the knowledge extracted from cumbersome teacher models. However, previous distillation methods of detection have weak generalization for different detection frameworks and rely heavily on ground truth (GT), ignoring the valuable relation information between instances. Thus, we propose a novel distillation method for detection tasks based on discriminative instances without considering the positive or negative distinguished by GT, which is called general instance distillation (GID). Our approach contains a general instance selection module (GISM) to make full use of feature-based, relation-based and response-based knowledge for distillation. Extensive results demonstrate that the student model achieves significant AP improvement and even outperforms the teacher in various detection frameworks. Specifically, RetinaNet with ResNet-50 achieves 39.1% in mAP with GID on COCO dataset, which surpasses the baseline 36.2% by 2.9%, and even better than the ResNet-101 based teacher model with 38.1% AP.

Discriminative pre-trained language models (PLMs) learn to predict original texts from intentionally corrupted ones. Taking the former text as positive and the latter as negative samples, the PLM can be trained effectively for contextualized representation. However, the training of such a type of PLMs highly relies on the quality of the automatically constructed samples. Existing PLMs simply treat all corrupted texts as equal negative without any examination, which actually lets the resulting model inevitably suffer from the false negative issue where training is carried out on pseudo-negative data and leads to less efficiency and less robustness in the resulting PLMs. In this work, on the basis of defining the false negative issue in discriminative PLMs that has been ignored for a long time, we design enhanced pre-training methods to counteract false negative predictions and encourage pre-training language models on true negatives by correcting the harmful gradient updates subject to false negative predictions. Experimental results on GLUE and SQuAD benchmarks show that our counter-false-negative pre-training methods indeed bring about better performance together with stronger robustness.

This paper describes our system developed for SemEval-2024 Task 8, "Multigenerator, Multidomain, and Multilingual Black-Box Machine-Generated Text Detection." Machine-generated texts have been one of the main concerns due to the use of large language models (LLM) in fake text generation, phishing, cheating in exams, or even plagiarizing copyright materials. A lot of systems have been developed to detect machine-generated text. Nonetheless, the majority of these systems rely on the text-generating model, a limitation that is impractical in real-world scenarios, as it's often impossible to know which specific model the user has used for text generation. In this work, we propose a single model based on contrastive learning, which uses ~40% of the baseline's parameters (149M vs. 355M) but shows a comparable performance on the test dataset (21st out of 137 participants). Our key finding is that even without an ensemble of multiple models, a single base model can have comparable performance with the help of data augmentation and contrastive learning.

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

Accurately describing images via text is a foundation of explainable AI. Vision-Language Models (VLMs) like CLIP have recently addressed this by aligning images and texts in a shared embedding space, expressing semantic similarities between vision and language embeddings. VLM classification can be improved with descriptions generated by Large Language Models (LLMs). However, it is difficult to determine the contribution of actual description semantics, as the performance gain may also stem from a semantic-agnostic ensembling effect. Considering this, we ask how to distinguish the actual discriminative power of descriptions from performance boosts that potentially rely on an ensembling effect. To study this, we propose an alternative evaluation scenario that shows a characteristic behavior if the used descriptions have discriminative power. Furthermore, we propose a training-free method to select discriminative descriptions that work independently of classname ensembling effects. The training-free method works in the following way: A test image has a local CLIP label neighborhood, i.e., its top-k label predictions. Then, w.r.t. to a small selection set, we extract descriptions that distinguish each class well in the local neighborhood. Using the selected descriptions, we demonstrate improved classification accuracy across seven datasets and provide in-depth analysis and insights into the explainability of description-based image classification by VLMs.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

Machine unlearning is a crucial tool for enabling a classification model to forget specific data that are used in the training time. Recently, various studies have presented machine unlearning algorithms and evaluated their methods on several datasets. However, most of the current machine unlearning algorithms have been evaluated solely on traditional computer vision datasets such as CIFAR-10, MNIST, and SVHN. Furthermore, previous studies generally evaluate the unlearning methods in the class-unlearning setup. Most previous work first trains the classification models and then evaluates the machine unlearning performance of machine unlearning algorithms by forgetting selected image classes (categories) in the experiments. Unfortunately, these class-unlearning settings might not generalize to real-world scenarios. In this work, we propose a machine unlearning setting that aims to unlearn specific instance that contains personal privacy (identity) while maintaining the original task of a given model. Specifically, we propose two machine unlearning benchmark datasets, MUFAC and MUCAC, that are greatly useful to evaluate the performance and robustness of a machine unlearning algorithm. In our benchmark datasets, the original model performs facial feature recognition tasks: face age estimation (multi-class classification) and facial attribute classification (binary class classification), where a class does not depend on any single target subject (personal identity), which can be a realistic setting. Moreover, we also report the performance of the state-of-the-art machine unlearning methods on our proposed benchmark datasets. All the datasets, source codes, and trained models are publicly available at https://github.com/ndb796/MachineUnlearning.

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.

We propose a hybrid machine learning architecture that simultaneously employs multiple deep learning models analyzing contextual and behavioral characteristics of Windows portable executable, producing a final prediction based on a decision from the meta-model. The detection heuristic in contemporary machine learning Windows malware classifiers is typically based on the static properties of the sample since dynamic analysis through virtualization is challenging for vast quantities of samples. To surpass this limitation, we employ a Windows kernel emulation that allows the acquisition of behavioral patterns across large corpora with minimal temporal and computational costs. We partner with a security vendor for a collection of more than 100k int-the-wild samples that resemble the contemporary threat landscape, containing raw PE files and filepaths of applications at the moment of execution. The acquired dataset is at least ten folds larger than reported in related works on behavioral malware analysis. Files in the training dataset are labeled by a professional threat intelligence team, utilizing manual and automated reverse engineering tools. We estimate the hybrid classifier's operational utility by collecting an out-of-sample test set three months later from the acquisition of the training set. We report an improved detection rate, above the capabilities of the current state-of-the-art model, especially under low false-positive requirements. Additionally, we uncover a meta-model's ability to identify malicious activity in validation and test sets even if none of the individual models express enough confidence to mark the sample as malevolent. We conclude that the meta-model can learn patterns typical to malicious samples from representation combinations produced by different analysis techniques. We publicly release pre-trained models and anonymized dataset of emulation reports.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

Analyzing the ever-increasing volume of posts on social media sites such as Facebook and Twitter requires improved information processing methods for profiling authorship. Document classification is central to this task, but the performance of traditional supervised classifiers has degraded as the volume of social media has increased. This paper addresses this problem in the context of gender detection through ensemble classification that employs multi-model deep learning architectures to generate specialized understanding from different feature spaces.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

Prediction problems often admit competing models that perform almost equally well. This effect challenges key assumptions in machine learning when competing models assign conflicting predictions. In this paper, we define predictive multiplicity as the ability of a prediction problem to admit competing models with conflicting predictions. We introduce formal measures to evaluate the severity of predictive multiplicity and develop integer programming tools to compute them exactly for linear classification problems. We apply our tools to measure predictive multiplicity in recidivism prediction problems. Our results show that real-world datasets may admit competing models that assign wildly conflicting predictions, and motivate the need to measure and report predictive multiplicity in model development.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

Deep generative models have achieved promising results in image generation, and various generative model hubs, e.g., Hugging Face and Civitai, have been developed that enable model developers to upload models and users to download models. However, these model hubs lack advanced model management and identification mechanisms, resulting in users only searching for models through text matching, download sorting, etc., making it difficult to efficiently find the model that best meets user requirements. In this paper, we propose a novel setting called Generative Model Identification (GMI), which aims to enable the user to identify the most appropriate generative model(s) for the user's requirements from a large number of candidate models efficiently. To our best knowledge, it has not been studied yet. In this paper, we introduce a comprehensive solution consisting of three pivotal modules: a weighted Reduced Kernel Mean Embedding (RKME) framework for capturing the generated image distribution and the relationship between images and prompts, a pre-trained vision-language model aimed at addressing dimensionality challenges, and an image interrogator designed to tackle cross-modality issues. Extensive empirical results demonstrate the proposal is both efficient and effective. For example, users only need to submit a single example image to describe their requirements, and the model platform can achieve an average top-4 identification accuracy of more than 80%.

Fairness in visual recognition is becoming a prominent and critical topic of discussion as recognition systems are deployed at scale in the real world. Models trained from data in which target labels are correlated with protected attributes (e.g., gender, race) are known to learn and exploit those correlations. In this work, we introduce a method for training accurate target classifiers while mitigating biases that stem from these correlations. We use GANs to generate realistic-looking images, and perturb these images in the underlying latent space to generate training data that is balanced for each protected attribute. We augment the original dataset with this perturbed generated data, and empirically demonstrate that target classifiers trained on the augmented dataset exhibit a number of both quantitative and qualitative benefits. We conduct a thorough evaluation across multiple target labels and protected attributes in the CelebA dataset, and provide an in-depth analysis and comparison to existing literature in the space.

Despite remarkable progress achieved, most neural architecture search (NAS) methods focus on searching for one single accurate and robust architecture. To further build models with better generalization capability and performance, model ensemble is usually adopted and performs better than stand-alone models. Inspired by the merits of model ensemble, we propose to search for multiple diverse models simultaneously as an alternative way to find powerful models. Searching for ensembles is non-trivial and has two key challenges: enlarged search space and potentially more complexity for the searched model. In this paper, we propose a one-shot neural ensemble architecture search (NEAS) solution that addresses the two challenges. For the first challenge, we introduce a novel diversity-based metric to guide search space shrinking, considering both the potentiality and diversity of candidate operators. For the second challenge, we enable a new search dimension to learn layer sharing among different models for efficiency purposes. The experiments on ImageNet clearly demonstrate that our solution can improve the supernet's capacity of ranking ensemble architectures, and further lead to better search results. The discovered architectures achieve superior performance compared with state-of-the-arts such as MobileNetV3 and EfficientNet families under aligned settings. Moreover, we evaluate the generalization ability and robustness of our searched architecture on the COCO detection benchmark and achieve a 3.1% improvement on AP compared with MobileNetV3. Codes and models are available at https://github.com/researchmm/NEAS.

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

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

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Effective and efficient mitigation of malware is a long-time endeavor in the information security community. The development of an anti-malware system that can counteract an unknown malware is a prolific activity that may benefit several sectors. We envision an intelligent anti-malware system that utilizes the power of deep learning (DL) models. Using such models would enable the detection of newly-released malware through mathematical generalization. That is, finding the relationship between a given malware x and its corresponding malware family y, f: x mapsto y. To accomplish this feat, we used the Malimg dataset (Nataraj et al., 2011) which consists of malware images that were processed from malware binaries, and then we trained the following DL models 1 to classify each malware family: CNN-SVM (Tang, 2013), GRU-SVM (Agarap, 2017), and MLP-SVM. Empirical evidence has shown that the GRU-SVM stands out among the DL models with a predictive accuracy of ~84.92%. This stands to reason for the mentioned model had the relatively most sophisticated architecture design among the presented models. The exploration of an even more optimal DL-SVM model is the next stage towards the engineering of an intelligent anti-malware system.

This paper focus on few-shot object detection~(FSOD) and instance segmentation~(FSIS), which requires a model to quickly adapt to novel classes with a few labeled instances. The existing methods severely suffer from bias classification because of the missing label issue which naturally exists in an instance-level few-shot scenario and is first formally proposed by us. Our analysis suggests that the standard classification head of most FSOD or FSIS models needs to be decoupled to mitigate the bias classification. Therefore, we propose an embarrassingly simple but effective method that decouples the standard classifier into two heads. Then, these two individual heads are capable of independently addressing clear positive samples and noisy negative samples which are caused by the missing label. In this way, the model can effectively learn novel classes while mitigating the effects of noisy negative samples. Without bells and whistles, our model without any additional computation cost and parameters consistently outperforms its baseline and state-of-the-art by a large margin on PASCAL VOC and MS-COCO benchmarks for FSOD and FSIS tasks. The Code is available at https://csgaobb.github.io/Projects/DCFS.

This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited number of nodes. Using real-world Google Cluster Data (GCD) workload traces and the AGOCS framework, the study extracts node attributes and task constraints, then analyses them to identify suitable node-task pairings. It focuses on tasks that can be executed on either a single node or fewer than a thousand out of 12.5k nodes in the analysed GCD cluster. Task constraint operators are compacted, pre-processed with one-hot encoding, and used as features in a training dataset. Various ML classifiers, including Artificial Neural Networks, K-Nearest Neighbours, Decision Trees, Naive Bayes, Ridge Regression, Adaptive Boosting, and Bagging, are fine-tuned and assessed for accuracy and F1-scores. The final ensemble voting classifier model achieved 98% accuracy and a 1.5-1.8% misclassification rate for tasks with a single suitable node.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

The remarkable success of deep learning in recent years has prompted applications in medical image classification and diagnosis tasks. While classification models have demonstrated robustness in classifying simpler datasets like MNIST or natural images such as ImageNet, this resilience is not consistently observed in complex medical image datasets where data is more scarce and lacks diversity. Moreover, previous findings on natural image datasets have indicated a potential trade-off between data likelihood and classification accuracy. In this study, we explore the use of score-based generative models as classifiers for medical images, specifically mammographic images. Our findings suggest that our proposed generative classifier model not only achieves superior classification results on CBIS-DDSM, INbreast and Vin-Dr Mammo datasets, but also introduces a novel approach to image classification in a broader context. Our code is publicly available at https://github.com/sushmitasarker/sgc_for_medical_image_classification

Data organized in tabular format is ubiquitous in real-world applications, and users often craft tables with biased feature definitions and flexibly set prediction targets of their interests. Thus, a rapid development of a robust, effective, dataset-versatile, user-friendly tabular prediction approach is highly desired. While Gradient Boosting Decision Trees (GBDTs) and existing deep neural networks (DNNs) have been extensively utilized by professional users, they present several challenges for casual users, particularly: (i) the dilemma of model selection due to their different dataset preferences, and (ii) the need for heavy hyperparameter searching, failing which their performances are deemed inadequate. In this paper, we delve into this question: Can we develop a deep learning model that serves as a "sure bet" solution for a wide range of tabular prediction tasks, while also being user-friendly for casual users? We delve into three key drawbacks of deep tabular models, encompassing: (P1) lack of rotational variance property, (P2) large data demand, and (P3) over-smooth solution. We propose ExcelFormer, addressing these challenges through a semi-permeable attention module that effectively constrains the influence of less informative features to break the DNNs' rotational invariance property (for P1), data augmentation approaches tailored for tabular data (for P2), and attentive feedforward network to boost the model fitting capability (for P3). These designs collectively make ExcelFormer a "sure bet" solution for diverse tabular datasets. Extensive and stratified experiments conducted on real-world datasets demonstrate that our model outperforms previous approaches across diverse tabular data prediction tasks, and this framework can be friendly to casual users, offering ease of use without the heavy hyperparameter tuning.

In this work we build a stack of machine learning models aimed at composing a state-of-the-art credit rating and default prediction system, obtaining excellent out-of-sample performances. Our approach is an excursion through the most recent ML / AI concepts, starting from natural language processes (NLP) applied to economic sectors' (textual) descriptions using embedding and autoencoders (AE), going through the classification of defaultable firms on the base of a wide range of economic features using gradient boosting machines (GBM) and calibrating their probabilities paying due attention to the treatment of unbalanced samples. Finally we assign credit ratings through genetic algorithms (differential evolution, DE). Model interpretability is achieved by implementing recent techniques such as SHAP and LIME, which explain predictions locally in features' space.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

In this paper, we consider a real-world scenario where a model that is trained on pre-defined classes continually encounters unlabeled data that contains both known and novel classes. The goal is to continually discover novel classes while maintaining the performance in known classes. We name the setting Continual Generalized Category Discovery (C-GCD). Existing methods for novel class discovery cannot directly handle the C-GCD setting due to some unrealistic assumptions, such as the unlabeled data only containing novel classes. Furthermore, they fail to discover novel classes in a continual fashion. In this work, we lift all these assumptions and propose an approach, called MetaGCD, to learn how to incrementally discover with less forgetting. Our proposed method uses a meta-learning framework and leverages the offline labeled data to simulate the testing incremental learning process. A meta-objective is defined to revolve around two conflicting learning objectives to achieve novel class discovery without forgetting. Furthermore, a soft neighborhood-based contrastive network is proposed to discriminate uncorrelated images while attracting correlated images. We build strong baselines and conduct extensive experiments on three widely used benchmarks to demonstrate the superiority of our method.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

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.

Categorical variables are a natural choice for representing discrete structure in the world. However, stochastic neural networks rarely use categorical latent variables due to the inability to backpropagate through samples. In this work, we present an efficient gradient estimator that replaces the non-differentiable sample from a categorical distribution with a differentiable sample from a novel Gumbel-Softmax distribution. This distribution has the essential property that it can be smoothly annealed into a categorical distribution. We show that our Gumbel-Softmax estimator outperforms state-of-the-art gradient estimators on structured output prediction and unsupervised generative modeling tasks with categorical latent variables, and enables large speedups on semi-supervised classification.

Convolutional Neural Networks have been shown to be vulnerable to adversarial examples, which are known to locate in subspaces close to where normal data lies but are not naturally occurring and of low probability. In this work, we investigate the potential effect defense techniques have on the geometry of the likelihood landscape - likelihood of the input images under the trained model. We first propose a way to visualize the likelihood landscape leveraging an energy-based model interpretation of discriminative classifiers. Then we introduce a measure to quantify the flatness of the likelihood landscape. We observe that a subset of adversarial defense techniques results in a similar effect of flattening the likelihood landscape. We further explore directly regularizing towards a flat landscape for adversarial robustness.

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

Detecting AI-generated code, deepfakes, and other synthetic content is an emerging research challenge. As code generated by Large Language Models (LLMs) becomes more common, identifying the specific model behind each sample is increasingly important. This paper presents the first systematic study of LLM authorship attribution for C programs. We released CodeT5-Authorship, a novel model that uses only the encoder layers from the original CodeT5 encoder-decoder architecture, discarding the decoder to focus on classification. Our model's encoder output (first token) is passed through a two-layer classification head with GELU activation and dropout, producing a probability distribution over possible authors. To evaluate our approach, we introduce LLM-AuthorBench, a benchmark of 32,000 compilable C programs generated by eight state-of-the-art LLMs across diverse tasks. We compare our model to seven traditional ML classifiers and eight fine-tuned transformer models, including BERT, RoBERTa, CodeBERT, ModernBERT, DistilBERT, DeBERTa-V3, Longformer, and LoRA-fine-tuned Qwen2-1.5B. In binary classification, our model achieves 97.56% accuracy in distinguishing C programs generated by closely related models such as GPT-4.1 and GPT-4o, and 95.40% accuracy for multi-class attribution among five leading LLMs (Gemini 2.5 Flash, Claude 3.5 Haiku, GPT-4.1, Llama 3.3, and DeepSeek-V3). To support open science, we release the CodeT5-Authorship architecture, the LLM-AuthorBench benchmark, and all relevant Google Colab scripts on GitHub: https://github.com/LLMauthorbench/.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

We describe a new training methodology for generative adversarial networks. The key idea is to grow both the generator and discriminator progressively: starting from a low resolution, we add new layers that model increasingly fine details as training progresses. This both speeds the training up and greatly stabilizes it, allowing us to produce images of unprecedented quality, e.g., CelebA images at 1024^2. We also propose a simple way to increase the variation in generated images, and achieve a record inception score of 8.80 in unsupervised CIFAR10. Additionally, we describe several implementation details that are important for discouraging unhealthy competition between the generator and discriminator. Finally, we suggest a new metric for evaluating GAN results, both in terms of image quality and variation. As an additional contribution, we construct a higher-quality version of the CelebA dataset.

In critical applications, it is vital for classifiers to defer decision-making to humans. We propose a post-hoc method that makes existing classifiers selectively abstain from predicting certain samples. Our abstaining classifier is incentivized to maintain the original accuracy for each sub-population (i.e. no harm) while achieving a set of group fairness definitions to a user specified degree. To this end, we design an Integer Programming (IP) procedure that assigns abstention decisions for each training sample to satisfy a set of constraints. To generalize the abstaining decisions to test samples, we then train a surrogate model to learn the abstaining decisions based on the IP solutions in an end-to-end manner. We analyze the feasibility of the IP procedure to determine the possible abstention rate for different levels of unfairness tolerance and accuracy constraint for achieving no harm. To the best of our knowledge, this work is the first to identify the theoretical relationships between the constraint parameters and the required abstention rate. Our theoretical results are important since a high abstention rate is often infeasible in practice due to a lack of human resources. Our framework outperforms existing methods in terms of fairness disparity without sacrificing accuracy at similar abstention rates.

We prove a new upper bound on the generalization gap of classifiers that are obtained by first using self-supervision to learn a representation r of the training data, and then fitting a simple (e.g., linear) classifier g to the labels. Specifically, we show that (under the assumptions described below) the generalization gap of such classifiers tends to zero if C(g) ll n, where C(g) is an appropriately-defined measure of the simple classifier g's complexity, and n is the number of training samples. We stress that our bound is independent of the complexity of the representation r. We do not make any structural or conditional-independence assumptions on the representation-learning task, which can use the same training dataset that is later used for classification. Rather, we assume that the training procedure satisfies certain natural noise-robustness (adding small amount of label noise causes small degradation in performance) and rationality (getting the wrong label is not better than getting no label at all) conditions that widely hold across many standard architectures. We show that our bound is non-vacuous for many popular representation-learning based classifiers on CIFAR-10 and ImageNet, including SimCLR, AMDIM and MoCo.

Aiming to generalize the label knowledge from a source domain with continuous outputs to an unlabeled target domain, Domain Adaptation Regression (DAR) is developed for complex practical learning problems. However, due to the continuity problem in regression, existing conditional distribution alignment theory and methods with discrete prior, which are proven to be effective in classification settings, are no longer applicable. In this work, focusing on the feasibility problems in DAR, we establish the sufficiency theory for the regression model, which shows the generalization error can be sufficiently dominated by the cross-domain conditional discrepancy. Further, to characterize conditional discrepancy with continuous conditioning variable, a novel Conditional Operator Discrepancy (COD) is proposed, which admits the metric property on conditional distributions via the kernel embedding theory. Finally, to minimize the discrepancy, a COD-based conditional invariant representation learning model is proposed, and the reformulation is derived to show that reasonable modifications on moment statistics can further improve the discriminability of the adaptation model. Extensive experiments on standard DAR datasets verify the validity of theoretical results and the superiority over SOTA DAR methods.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Classic results establish that encouraging predictive diversity improves performance in ensembles of low-capacity models, e.g. through bagging or boosting. Here we demonstrate that these intuitions do not apply to high-capacity neural network ensembles (deep ensembles), and in fact the opposite is often true. In a large scale study of nearly 600 neural network classification ensembles, we examine a variety of interventions that trade off component model performance for predictive diversity. While such interventions can improve the performance of small neural network ensembles (in line with standard intuitions), they harm the performance of the large neural network ensembles most often used in practice. Surprisingly, we also find that discouraging predictive diversity is often benign in large-network ensembles, fully inverting standard intuitions. Even when diversity-promoting interventions do not sacrifice component model performance (e.g. using heterogeneous architectures and training paradigms), we observe an opportunity cost associated with pursuing increased predictive diversity. Examining over 1000 ensembles, we observe that the performance benefits of diverse architectures/training procedures are easily dwarfed by the benefits of simply using higher-capacity models, despite the fact that such higher capacity models often yield significantly less predictive diversity. Overall, our findings demonstrate that standard intuitions around predictive diversity, originally developed for low-capacity ensembles, do not directly apply to modern high-capacity deep ensembles. This work clarifies fundamental challenges to the goal of improving deep ensembles by making them more diverse, while suggesting an alternative path: simply forming ensembles from ever more powerful (and less diverse) component models.

Both encoder-only models (e.g., BERT, RoBERTa) and large language models (LLMs, e.g., Llama3) have been widely used for text classification tasks. However, there is a lack of systematic studies comparing the performance of encoder-based models and LLMs in text classification, particularly when fine-tuning is involved. This study employed a diverse range of models and methods, varying in size and architecture, and including both fine-tuned and pre-trained approaches. We first assessed the performances of these LLMs on the 20 Newsgroups (20NG) and MASSIVE datasets, comparing them to encoder-only RoBERTa models. Additionally, we explored the multi-task capabilities of both model types by combining multiple classification tasks, including intent detection and slot-filling, into a single model using data from both datasets. Our results indicate that fully fine-tuned Llama3-70B models outperform RoBERTa-large and other decoder LLMs across various classification tasks and datasets. Moreover, the consolidated multi-task fine-tuned LLMs matched the performance of dual-model setups in both tasks across both datasets. Overall, our study provides a comprehensive benchmark of encoder-only and LLM models on text classification tasks and demonstrates a method to combine two or more fully fine-tuned decoder LLMs for reduced latency and equivalent performance.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

We present FOLD-SE, an efficient, explainable machine learning algorithm for classification tasks given tabular data containing numerical and categorical values. FOLD-SE generates a set of default rules-essentially a stratified normal logic program-as an (explainable) trained model. Explainability provided by FOLD-SE is scalable, meaning that regardless of the size of the dataset, the number of learned rules and learned literals stay quite small while good accuracy in classification is maintained. A model with smaller number of rules and literals is easier to understand for human beings. FOLD-SE is competitive with state-of-the-art machine learning algorithms such as XGBoost and Multi-Layer Perceptrons (MLP) wrt accuracy of prediction. However, unlike XGBoost and MLP, the FOLD-SE algorithm is explainable. The FOLD-SE algorithm builds upon our earlier work on developing the explainable FOLD-R++ machine learning algorithm for binary classification and inherits all of its positive features. Thus, pre-processing of the dataset, using techniques such as one-hot encoding, is not needed. Like FOLD-R++, FOLD-SE uses prefix sum to speed up computations resulting in FOLD-SE being an order of magnitude faster than XGBoost and MLP in execution speed. The FOLD-SE algorithm outperforms FOLD-R++ as well as other rule-learning algorithms such as RIPPER in efficiency, performance and scalability, especially for large datasets. A major reason for scalable explainability of FOLD-SE is the use of a literal selection heuristics based on Gini Impurity, as opposed to Information Gain used in FOLD-R++. A multi-category classification version of FOLD-SE is also presented.

Transformer-based foundation models have emerged as a dominant paradigm in time series analysis, offering unprecedented capabilities in tasks such as forecasting, anomaly detection, classification, trend analysis and many more time series analytical tasks. This survey provides a comprehensive overview of the current state of the art pre-trained foundation models, introducing a novel taxonomy to categorize them across several dimensions. Specifically, we classify models by their architecture design, distinguishing between those leveraging patch-based representations and those operating directly on raw sequences. The taxonomy further includes whether the models provide probabilistic or deterministic predictions, and whether they are designed to work with univariate time series or can handle multivariate time series out of the box. Additionally, the taxonomy encompasses model scale and complexity, highlighting differences between lightweight architectures and large-scale foundation models. A unique aspect of this survey is its categorization by the type of objective function employed during training phase. By synthesizing these perspectives, this survey serves as a resource for researchers and practitioners, providing insights into current trends and identifying promising directions for future research in transformer-based time series modeling.

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

In recent years, discriminative self-supervised methods have made significant strides in advancing various visual tasks. The central idea of learning a data encoder that is robust to data distortions/augmentations is straightforward yet highly effective. Although many studies have demonstrated the empirical success of various learning methods, the resulting learned representations can exhibit instability and hinder downstream performance. In this study, we analyze discriminative self-supervised methods from a causal perspective to explain these unstable behaviors and propose solutions to overcome them. Our approach draws inspiration from prior works that empirically demonstrate the ability of discriminative self-supervised methods to demix ground truth causal sources to some extent. Unlike previous work on causality-empowered representation learning, we do not apply our solutions during the training process but rather during the inference process to improve time efficiency. Through experiments on both controlled image datasets and realistic image datasets, we show that our proposed solutions, which involve tempering a linear transformation with controlled synthetic data, are effective in addressing these issues.

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior. However, in practice the opposite can often happen: we find that selecting according to similarity with "high quality" data sources may not increase (and can even hurt) performance compared to randomly selecting data. To develop better methods for selecting data, we start by framing dataset selection as an optimization problem that we can directly solve for: given target tasks, a learning algorithm, and candidate data, select the subset that maximizes model performance. This framework thus avoids handpicked notions of data quality, and instead models explicitly how the learning process uses train datapoints to predict on the target tasks. Our resulting method greatly improves language model (LM) performance on both pre-specified tasks and previously unseen tasks. Specifically, choosing target tasks representative of standard LM problems and evaluating on diverse held-out benchmarks, our selected datasets provide a 2x compute multiplier over baseline methods.

Prototype-based classification learning methods are known to be inherently interpretable. However, this paradigm suffers from major limitations compared to deep models, such as lower performance. This led to the development of the so-called deep Prototype-Based Networks (PBNs), also known as prototypical parts models. In this work, we analyze these models with respect to different properties, including interpretability. In particular, we focus on the Classification-by-Components (CBC) approach, which uses a probabilistic model to ensure interpretability and can be used as a shallow or deep architecture. We show that this model has several shortcomings, like creating contradicting explanations. Based on these findings, we propose an extension of CBC that solves these issues. Moreover, we prove that this extension has robustness guarantees and derive a loss that optimizes robustness. Additionally, our analysis shows that most (deep) PBNs are related to (deep) RBF classifiers, which implies that our robustness guarantees generalize to shallow RBF classifiers. The empirical evaluation demonstrates that our deep PBN yields state-of-the-art classification accuracy on different benchmarks while resolving the interpretability shortcomings of other approaches. Further, our shallow PBN variant outperforms other shallow PBNs while being inherently interpretable and exhibiting provable robustness guarantees.

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

We propose a novel theoretical framework of analysis for Generative Adversarial Networks (GANs). We reveal a fundamental flaw of previous analyses which, by incorrectly modeling GANs' training scheme, are subject to ill-defined discriminator gradients. We overcome this issue which impedes a principled study of GAN training, solving it within our framework by taking into account the discriminator's architecture. To this end, we leverage the theory of infinite-width neural networks for the discriminator via its Neural Tangent Kernel. We characterize the trained discriminator for a wide range of losses and establish general differentiability properties of the network. From this, we derive new insights about the convergence of the generated distribution, advancing our understanding of GANs' training dynamics. We empirically corroborate these results via an analysis toolkit based on our framework, unveiling intuitions that are consistent with GAN practice.

Image classifiers are information-discarding machines, by design. Yet, how these models discard information remains mysterious. We hypothesize that one way for image classifiers to reach high accuracy is to first zoom to the most discriminative region in the image and then extract features from there to predict image labels. We study six popular networks ranging from AlexNet to CLIP and find that proper framing of the input image can lead to the correct classification of 98.91% of ImageNet images. Furthermore, we explore the potential and limits of zoom transforms in image classification and uncover positional biases in various datasets, especially a strong center bias in two popular datasets: ImageNet-A and ObjectNet. Finally, leveraging our insights into the potential of zoom, we propose a state-of-the-art test-time augmentation (TTA) technique that improves classification accuracy by forcing models to explicitly perform zoom-in operations before making predictions. Our method is more interpretable, accurate, and faster than MEMO, a state-of-the-art TTA method. Additionally, we propose ImageNet-Hard, a new benchmark where zooming in alone often does not help state-of-the-art models better label images.

Standard training datasets for deep learning often contain objects in common settings (e.g., "a horse on grass" or "a ship in water") since they are usually collected by randomly scraping the web. Uncommon and rare settings (e.g., "a plane on water", "a car in snowy weather") are thus severely under-represented in the training data. This can lead to an undesirable bias in model predictions towards common settings and create a false sense of accuracy. In this paper, we introduce FOCUS (Familiar Objects in Common and Uncommon Settings), a dataset for stress-testing the generalization power of deep image classifiers. By leveraging the power of modern search engines, we deliberately gather data containing objects in common and uncommon settings in a wide range of locations, weather conditions, and time of day. We present a detailed analysis of the performance of various popular image classifiers on our dataset and demonstrate a clear drop in performance when classifying images in uncommon settings. By analyzing deep features of these models, we show that such errors can be due to the use of spurious features in model predictions. We believe that our dataset will aid researchers in understanding the inability of deep models to generalize well to uncommon settings and drive future work on improving their distributional robustness.

This paper discusses a simple and explicit toy-model example of the categorical Hopfield equations introduced in previous work of Manin and the author. These describe dynamical assignments of resources to networks, where resources are objects in unital symmetric monoidal categories and assignments are realized by summing functors. The special case discussed here is based on computational resources (computational models of neurons) as objects in a category of DNNs, with a simple choice of the endofunctors defining the Hopfield equations that reproduce the usual updating of the weights in DNNs by gradient descent.

Foundation models are predominantly trained in an unsupervised or self-supervised manner on highly diverse and large-scale datasets, making them broadly applicable to various downstream tasks. In this work, we investigate for the first time whether such models are suitable for the specific domain of face recognition. We further propose and demonstrate the adaptation of these models for face recognition across different levels of data availability. Extensive experiments are conducted on multiple foundation models and datasets of varying scales for training and fine-tuning, with evaluation on a wide range of benchmarks. Our results indicate that, despite their versatility, pre-trained foundation models underperform in face recognition compared to similar architectures trained specifically for this task. However, fine-tuning foundation models yields promising results, often surpassing models trained from scratch when training data is limited. Even with access to large-scale face recognition training datasets, fine-tuned foundation models perform comparably to models trained from scratch, but with lower training computational costs and without relying on the assumption of extensive data availability. Our analysis also explores bias in face recognition, with slightly higher bias observed in some settings when using foundation models.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

Cascades are a classical strategy to enable inference cost to vary adaptively across samples, wherein a sequence of classifiers are invoked in turn. A deferral rule determines whether to invoke the next classifier in the sequence, or to terminate prediction. One simple deferral rule employs the confidence of the current classifier, e.g., based on the maximum predicted softmax probability. Despite being oblivious to the structure of the cascade -- e.g., not modelling the errors of downstream models -- such confidence-based deferral often works remarkably well in practice. In this paper, we seek to better understand the conditions under which confidence-based deferral may fail, and when alternate deferral strategies can perform better. We first present a theoretical characterisation of the optimal deferral rule, which precisely characterises settings under which confidence-based deferral may suffer. We then study post-hoc deferral mechanisms, and demonstrate they can significantly improve upon confidence-based deferral in settings where (i) downstream models are specialists that only work well on a subset of inputs, (ii) samples are subject to label noise, and (iii) there is distribution shift between the train and test set.

Foundation models are redefining how AI systems are built. Practitioners now follow a standard procedure to build their machine learning solutions: from a pre-trained foundation model, they fine-tune the weights on the target task of interest. So, the Internet is swarmed by a handful of foundation models fine-tuned on many diverse tasks: these individual fine-tunings exist in isolation without benefiting from each other. In our opinion, this is a missed opportunity, as these specialized models contain rich and diverse features. In this paper, we thus propose model ratatouille, a new strategy to recycle the multiple fine-tunings of the same foundation model on diverse auxiliary tasks. Specifically, we repurpose these auxiliary weights as initializations for multiple parallel fine-tunings on the target task; then, we average all fine-tuned weights to obtain the final model. This recycling strategy aims at maximizing the diversity in weights by leveraging the diversity in auxiliary tasks. Empirically, it improves the state of the art on the reference DomainBed benchmark for out-of-distribution generalization. Looking forward, this work contributes to the emerging paradigm of updatable machine learning where, akin to open-source software development, the community collaborates to reliably update machine learning models.

Generalized zero-shot learning (GZSL) is the problem of learning a classifier where some classes have samples and others are learned from side information, like semantic attributes or text description, in a zero-shot learning fashion (ZSL). Training a single model that operates in these two regimes simultaneously is challenging. Here we describe a probabilistic approach that breaks the model into three modular components, and then combines them in a consistent way. Specifically, our model consists of three classifiers: A "gating" model that makes soft decisions if a sample is from a "seen" class, and two experts: a ZSL expert, and an expert model for seen classes. We address two main difficulties in this approach: How to provide an accurate estimate of the gating probability without any training samples for unseen classes; and how to use expert predictions when it observes samples outside of its domain. The key insight to our approach is to pass information between the three models to improve each one's accuracy, while maintaining the modular structure. We test our approach, adaptive confidence smoothing (COSMO), on four standard GZSL benchmark datasets and find that it largely outperforms state-of-the-art GZSL models. COSMO is also the first model that closes the gap and surpasses the performance of generative models for GZSL, even-though it is a light-weight model that is much easier to train and tune. Notably, COSMO offers a new view for developing zero-shot models. Thanks to COSMO's modular structure, instead of trying to perform well both on seen and on unseen classes, models can focus on accurate classification of unseen classes, and later consider seen class models.

Various visual foundation models have distinct strengths and weaknesses, both of which can be improved through heterogeneous multi-teacher knowledge distillation without labels, termed "agglomerative models." We build upon this body of work by studying the effect of the teachers' activation statistics, particularly the impact of the loss function on the resulting student model quality. We explore a standard toolkit of statistical normalization techniques to better align the different distributions and assess their effects. Further, we examine the impact on downstream teacher-matching metrics, which motivates the use of Hadamard matrices. With these matrices, we demonstrate useful properties, showing how they can be used for isotropic standardization, where each dimension of a multivariate distribution is standardized using the same scale. We call this technique "PHI Standardization" (PHI-S) and empirically demonstrate that it produces the best student model across the suite of methods studied.

We consider the problem of zero-shot recognition: learning a visual classifier for a category with zero training examples, just using the word embedding of the category and its relationship to other categories, which visual data are provided. The key to dealing with the unfamiliar or novel category is to transfer knowledge obtained from familiar classes to describe the unfamiliar class. In this paper, we build upon the recently introduced Graph Convolutional Network (GCN) and propose an approach that uses both semantic embeddings and the categorical relationships to predict the classifiers. Given a learned knowledge graph (KG), our approach takes as input semantic embeddings for each node (representing visual category). After a series of graph convolutions, we predict the visual classifier for each category. During training, the visual classifiers for a few categories are given to learn the GCN parameters. At test time, these filters are used to predict the visual classifiers of unseen categories. We show that our approach is robust to noise in the KG. More importantly, our approach provides significant improvement in performance compared to the current state-of-the-art results (from 2 ~ 3% on some metrics to whopping 20% on a few).

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

This work aims at transferring a Generative Adversarial Network (GAN) pre-trained on one image domain to a new domain referring to as few as just one target image. The main challenge is that, under limited supervision, it is extremely difficult to synthesize photo-realistic and highly diverse images, while acquiring representative characters of the target. Different from existing approaches that adopt the vanilla fine-tuning strategy, we import two lightweight modules to the generator and the discriminator respectively. Concretely, we introduce an attribute adaptor into the generator yet freeze its original parameters, through which it can reuse the prior knowledge to the most extent and hence maintain the synthesis quality and diversity. We then equip the well-learned discriminator backbone with an attribute classifier to ensure that the generator captures the appropriate characters from the reference. Furthermore, considering the poor diversity of the training data (i.e., as few as only one image), we propose to also constrain the diversity of the generative domain in the training process, alleviating the optimization difficulty. Our approach brings appealing results under various settings, substantially surpassing state-of-the-art alternatives, especially in terms of synthesis diversity. Noticeably, our method works well even with large domain gaps, and robustly converges within a few minutes for each experiment.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

Transformer based large language models have achieved tremendous success. However, the significant memory and computational costs incurred during the inference process make it challenging to deploy large models on resource-constrained devices. In this paper, we investigate compression and efficient inference methods for large language models from an algorithmic perspective. Regarding taxonomy, similar to smaller models, compression and acceleration algorithms for large language models can still be categorized into quantization, pruning, distillation, compact architecture design, dynamic networks. However, Large language models have two prominent characteristics compared to smaller models: (1) Most of compression algorithms require finetuning or even retraining the model after compression. The most notable aspect of large models is the very high cost associated with model finetuning or training. Therefore, many algorithms for large models, such as quantization and pruning, start to explore tuning-free algorithms. (2) Large models emphasize versatility and generalization rather than performance on a single task. Hence, many algorithms, such as knowledge distillation, focus on how to preserving their versatility and generalization after compression. Since these two characteristics were not very pronounced in early large models, we further distinguish large language models into medium models and ``real'' large models. Additionally, we also provide an introduction to some mature frameworks for efficient inference of large models, which can support basic compression or acceleration algorithms, greatly facilitating model deployment for users.

Localizing and recognizing objects in the open-ended physical world poses a long-standing challenge within the domain of machine perception. Recent methods have endeavored to address the issue by employing a class-agnostic mask (or box) proposal model, complemented by an open-vocabulary classifier (e.g., CLIP) using pre-extracted text embeddings. However, it is worth noting that these open-vocabulary recognition models still exhibit limitations in practical applications. On one hand, they rely on the provision of class names during testing, where the recognition performance heavily depends on this predefined set of semantic classes by users. On the other hand, when training with multiple datasets, human intervention is required to alleviate the label definition conflict between them. In this paper, we introduce the OmniScient Model (OSM), a novel Large Language Model (LLM) based mask classifier, as a straightforward and effective solution to the aforementioned challenges. Specifically, OSM predicts class labels in a generative manner, thus removing the supply of class names during both training and testing. It also enables cross-dataset training without any human interference, exhibiting robust generalization capabilities due to the world knowledge acquired from the LLM. By combining OSM with an off-the-shelf mask proposal model, we present promising results on various benchmarks, and demonstrate its effectiveness in handling novel concepts. Code/model are available at https://github.com/bytedance/OmniScient-Model.

LLMs demonstrate significant potential across various software engineering tasks. However, they still face challenges in generating correct code on the first attempt when addressing complex requirements. Introducing a discriminator to select reliable outputs from multiple generated results is an effective way to enhance their reliability and stability. Currently, these discriminators fall into two categories: execution-based discriminators and non-execution-based discriminators. Execution-based discriminators face flexibility challenges due to difficulties in obtaining test cases and security concerns, while non-execution-based discriminators, although more flexible, struggle to capture subtle differences in code details. To maintain flexibility while improving the model's ability to capture fine-grained code details, this paper proposes Condor. We first design contrastive learning to optimize the code representations of the base model, enabling it to reflect differences in code details. Then, we leverage intermediate data from the code modification process to further enrich the discriminator's training data, enhancing its ability to discern code details. Experimental results indicate that on the subtle code difference dataset (i.e., CodeNanoFix), Condor significantly outperforms other discriminators in discriminative performance: Condor (1.3B) improves the discriminative F1 score of DeepSeek-Coder (1.3B) from 67% to 73%. In discriminating LLM-generated outputs, Condor (1.3B) and Condor (110M) raise the Pass@1 score of Meta-Llama-3.1-Instruct (70B) on the CodeNanoFix dataset from 52.64% to 62.63% and 59.64%, respectively. Moreover, Condor demonstrates strong generalization capabilities on the MBPP and APPS datasets. For example, Condor (1.3B) improves the Pass@1 of Meta-Llama-3.1-Instruct (70B) on the APPS dataset by 147.05%.

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

Recent work has explored how to train machine learning models which do not discriminate against any subgroup of the population as determined by sensitive attributes such as gender or race. To avoid disparate treatment, sensitive attributes should not be considered. On the other hand, in order to avoid disparate impact, sensitive attributes must be examined, e.g., in order to learn a fair model, or to check if a given model is fair. We introduce methods from secure multi-party computation which allow us to avoid both. By encrypting sensitive attributes, we show how an outcome-based fair model may be learned, checked, or have its outputs verified and held to account, without users revealing their sensitive attributes.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.