Daily Papers

Constantly discovering novel concepts is crucial in evolving environments. This paper explores the underexplored task of Continual Generalized Category Discovery (C-GCD), which aims to incrementally discover new classes from unlabeled data while maintaining the ability to recognize previously learned classes. Although several settings are proposed to study the C-GCD task, they have limitations that do not reflect real-world scenarios. We thus study a more practical C-GCD setting, which includes more new classes to be discovered over a longer period, without storing samples of past classes. In C-GCD, the model is initially trained on labeled data of known classes, followed by multiple incremental stages where the model is fed with unlabeled data containing both old and new classes. The core challenge involves two conflicting objectives: discover new classes and prevent forgetting old ones. We delve into the conflicts and identify that models are susceptible to prediction bias and hardness bias. To address these issues, we introduce a debiased learning framework, namely Happy, characterized by Hardness-aware prototype sampling and soft entropy regularization. For the prediction bias, we first introduce clustering-guided initialization to provide robust features. In addition, we propose soft entropy regularization to assign appropriate probabilities to new classes, which can significantly enhance the clustering performance of new classes. For the harness bias, we present the hardness-aware prototype sampling, which can effectively reduce the forgetting issue for previously seen classes, especially for difficult classes. Experimental results demonstrate our method proficiently manages the conflicts of C-GCD and achieves remarkable performance across various datasets, e.g., 7.5% overall gains on ImageNet-100. Our code is publicly available at https://github.com/mashijie1028/Happy-CGCD.

Soft Actor Critic (SAC) algorithms show remarkable performance in complex simulated environments. A key element of SAC networks is entropy regularization, which prevents the SAC actor from optimizing against fine grained features, oftentimes transient, of the state-action value function. This results in better sample efficiency during early training. We take this idea one step further by artificially bandlimiting the target critic spatial resolution through the addition of a convolutional filter. We derive the closed form solution in the linear case and show that bandlimiting reduces the interdependency between the low and high frequency components of the state-action value approximation, allowing the critic to learn faster. In experiments, the bandlimited SAC outperformed the classic twin-critic SAC in a number of Gym environments, and displayed more stability in returns. We derive novel insights about SAC by adding a stochastic noise disturbance, a technique that is increasingly being used to learn robust policies that transfer well to the real world counterparts.

Exploration is essential in modern learning, from reinforcement learning environments with small neural policies to large language models (LLMs). Existing work, such as DPO, leverages full sequence log-likelihoods to capture an entire trajectory of the model's decisions, while methods like GRPO aggregate per-token ratios into a trajectory-level update. However, both often limit exploration on long-horizon tasks. We introduce History-Aggregated Exploratory Policy Optimization (HAEPO), a history-aware exploratory loss to combat these shortcomings. HAEPO compresses each trajectory into the sum of its logarithmic probabilities (a cumulative logarithmic likelihood), and applies a Plackett-Luce softmax across trajectories to obtain normalized weights proportional to their returns, thus encouraging broader exploration. We add entropy regularization to stabilize the aggressive updates to prevent premature collapse and a soft KL penalty relative to a frozen copy of the previous (reference) policy. Empirically, HAEPO converges fast, explores thoroughly, aligns closely with true rewards, and demonstrates robust learning behavior better or at par with PPO, GRPO, and DPO across diverse tasks. Thus, HAEPO provides a stable and interpretable framework by explicitly leveraging full-trajectory history while balancing exploration and stability.

Large language models (LLMs) often produce inaccurate or misleading content-hallucinations. To address this challenge, we introduce Noise-Augmented Fine-Tuning (NoiseFiT), a novel framework that leverages adaptive noise injection based on the signal-to-noise ratio (SNR) to enhance model robustness. In particular, NoiseFiT selectively perturbs layers identified as either high-SNR (more robust) or low-SNR (potentially under-regularized) using a dynamically scaled Gaussian noise. We further propose a hybrid loss that combines standard cross-entropy, soft cross-entropy, and consistency regularization to ensure stable and accurate outputs under noisy training conditions. Our theoretical analysis shows that adaptive noise injection is both unbiased and variance-preserving, providing strong guarantees for convergence in expectation. Empirical results on multiple test and benchmark datasets demonstrate that NoiseFiT significantly reduces hallucination rates, often improving or matching baseline performance in key tasks. These findings highlight the promise of noise-driven strategies for achieving robust, trustworthy language modeling without incurring prohibitive computational overhead. Given the comprehensive and detailed nature of our experiments, we have publicly released the fine-tuning logs, benchmark evaluation artifacts, and source code online at W&B, Hugging Face, and GitHub, respectively, to foster further research, accessibility and reproducibility.

Expressive generative policies such as diffusion and flow models are appealing for MaxEnt online reinforcement learning because of their ability to model multimodal and highly non-Gaussian action distributions. However, training effective soft generative policies faces two obstacles that often arise together. First, marginal action densities are often unavailable, so existing methods typically rely on entropy bounds, heuristic proxies or approximations. Second, iterative shared-parameter samplers raise inference cost and require backpropagation through time over repeated network evaluations, increasing memory cost and destabilizing policy optimization. These obstacles motivate us to seek a generative policy that exposes a tractable MaxEnt objective while requiring only a single sampled actor forward pass for action generation. To this end, we propose soft generative actor-critic (SoftGAC), whose actor defines a stochastic bridge from a fixed base latent to a terminal action latent in pre-tanh space. This structured bridge allows us to lift the MaxEnt objective as an analytically tractable path-wise relative-entropy objective against a high-entropy reference process. In practical finite-step implementation, this relative entropy reduces exactly to sampled transition control energy and thus provides principled soft regularization. Moreover, we keep the single-pass actor lightweight by using small step-specific bridge transitions, each evaluated only once per sampled action, while maintaining a parameter budget comparable to strong actor baselines. Extensive experiments on challenging continuous-control benchmarks show that SoftGAC attains higher or competitive returns than strong generative policy baselines, including diffusion and flow-matching policies, while staying in the low-latency regime of one-pass actors and showing considerable improvements in the compute-return tradeoff.

Semi-supervised semantic segmentation (SSSS) faces persistent challenges in effectively leveraging unlabeled data, such as ineffective utilization of pseudo-labels, exacerbation of class imbalance biases, and neglect of prediction uncertainty. Current approaches often discard uncertain regions through strict thresholding favouring dominant classes. To address these limitations, we introduce a holistic framework that transforms uncertainty into a learning asset through four principal components: (1) fuzzy pseudo-labeling, which preserves soft class distributions from top-K predictions to enrich supervision; (2) uncertainty-aware dynamic weighting, that modulate pixel-wise contributions via entropy-based reliability scores; (3) adaptive class rebalancing, which dynamically adjust losses to counteract long-tailed class distributions; and (4) lightweight contrastive regularization, that encourage compact and discriminative feature embeddings. Extensive experiments on benchmarks demonstrate that our method outperforms current state-of-the-art approaches, achieving significant improvements in the segmentation of under-represented classes and ambiguous regions.

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

Many recent datasets contain a variety of different data modalities, for instance, image, question, and answer data in visual question answering (VQA). When training deep net classifiers on those multi-modal datasets, the modalities get exploited at different scales, i.e., some modalities can more easily contribute to the classification results than others. This is suboptimal because the classifier is inherently biased towards a subset of the modalities. To alleviate this shortcoming, we propose a novel regularization term based on the functional entropy. Intuitively, this term encourages to balance the contribution of each modality to the classification result. However, regularization with the functional entropy is challenging. To address this, we develop a method based on the log-Sobolev inequality, which bounds the functional entropy with the functional-Fisher-information. Intuitively, this maximizes the amount of information that the modalities contribute. On the two challenging multi-modal datasets VQA-CPv2 and SocialIQ, we obtain state-of-the-art results while more uniformly exploiting the modalities. In addition, we demonstrate the efficacy of our method on Colored MNIST.

Entropy regularization is a standard technique in reinforcement learning (RL) to enhance exploration, yet it yields negligible effects or even degrades performance in Large Language Models (LLMs). We attribute this failure to the cumulative tail risk inherent to LLMs with massive vocabularies and long generation horizons. In such environments, standard global entropy maximization indiscriminately dilutes probability mass into the vast tail of invalid tokens rather than focusing on plausible candidates, thereby disrupting coherent reasoning. To address this, we propose Trust Region Entropy (TRE), a method that encourages exploration strictly within the model's trust region. Extensive experiments across mathematical reasoning (MATH), combinatorial search (Countdown), and preference alignment (HH) tasks demonstrate that TRE consistently outperforms vanilla PPO, standard entropy regularization, and other exploration baselines. Our code is available at https://github.com/WhyChaos/TRE-Encouraging-Exploration-in-the-Trust-Region.

For RL algorithms, appropriate entropy control is crucial to their effectiveness. To control the policy entropy, a commonly used method is entropy regularization, which is adopted in various popular RL algorithms including PPO, SAC and A3C. Although entropy regularization proves effective in robotic and games RL conventionally, studies found that it gives weak to no gains in LLM-RL training. In this work, we study the issues of entropy bonus in LLM-RL setting. Specifically, we first argue that the conventional entropy regularization suffers from the LLM's extremely large response space and the sparsity of the optimal outputs. As a remedy, we propose AEnt, an entropy control method that utilizes a new clamped entropy bonus with an automatically adjusted coefficient. The clamped entropy is evaluated with the re-normalized policy defined on certain smaller token space, which encourages exploration within a more compact response set. In addition, the algorithm automatically adjusts entropy coefficient according to the clamped entropy value, effectively controlling the entropy-induced bias while leveraging the entropy's benefits. AEnt is tested in math-reasoning tasks under different base models and datasets, and it is observed that AEnt outperforms the baselines consistently across multiple benchmarks.

Regularizing neural networks is important for anticipating model behavior in regions of the data space that are not well represented. In this work, we propose a regularization technique for enforcing a level of smoothness in the mapping between the data input space and the loss value. We specify the level of regularity by requiring that the loss of the network satisfies an elliptic operator over the data domain. To do this, we modify the usual empirical risk minimization objective such that we instead minimize a new objective that satisfies an elliptic operator over points within the domain. This allows us to use existing theory on elliptic operators to anticipate the behavior of the error for points outside the training set. We propose a tractable computational method that approximates the behavior of the elliptic operator while being computationally efficient. Finally, we analyze the properties of the proposed regularization to understand the performance on common problems of distribution shift and group imbalance. Numerical experiments confirm the utility of the proposed regularization technique.

There is a constant need for high-performing and computationally efficient neural network models for image super-resolution: computationally efficient models can be used via low-capacity devices and reduce carbon footprints. One way to obtain such models is to compress models, e.g. quantization. Another way is a neural architecture search that automatically discovers new, more efficient solutions. We propose a novel quantization-aware procedure, the QuantNAS that combines pros of these two approaches. To make QuantNAS work, the procedure looks for quantization-friendly super-resolution models. The approach utilizes entropy regularization, quantization noise, and Adaptive Deviation for Quantization (ADQ) module to enhance the search procedure. The entropy regularization technique prioritizes a single operation within each block of the search space. Adding quantization noise to parameters and activations approximates model degradation after quantization, resulting in a more quantization-friendly architectures. ADQ helps to alleviate problems caused by Batch Norm blocks in super-resolution models. Our experimental results show that the proposed approximations are better for search procedure than direct model quantization. QuantNAS discovers architectures with better PSNR/BitOps trade-off than uniform or mixed precision quantization of fixed architectures. We showcase the effectiveness of our method through its application to two search spaces inspired by the state-of-the-art SR models and RFDN. Thus, anyone can design a proper search space based on an existing architecture and apply our method to obtain better quality and efficiency. The proposed procedure is 30\% faster than direct weight quantization and is more stable.

Recent Reinforcement Learning (RL) algorithms making use of Kullback-Leibler (KL) regularization as a core component have shown outstanding performance. Yet, only little is understood theoretically about why KL regularization helps, so far. We study KL regularization within an approximate value iteration scheme and show that it implicitly averages q-values. Leveraging this insight, we provide a very strong performance bound, the very first to combine two desirable aspects: a linear dependency to the horizon (instead of quadratic) and an error propagation term involving an averaging effect of the estimation errors (instead of an accumulation effect). We also study the more general case of an additional entropy regularizer. The resulting abstract scheme encompasses many existing RL algorithms. Some of our assumptions do not hold with neural networks, so we complement this theoretical analysis with an extensive empirical study.

Since the introduction of deep learning, a wide scope of representation properties, such as decorrelation, whitening, disentanglement, rank, isotropy, and mutual information, have been studied to improve the quality of representation. However, manipulating such properties can be challenging in terms of implementational effectiveness and general applicability. To address these limitations, we propose to regularize von Neumann entropy~(VNE) of representation. First, we demonstrate that the mathematical formulation of VNE is superior in effectively manipulating the eigenvalues of the representation autocorrelation matrix. Then, we demonstrate that it is widely applicable in improving state-of-the-art algorithms or popular benchmark algorithms by investigating domain-generalization, meta-learning, self-supervised learning, and generative models. In addition, we formally establish theoretical connections with rank, disentanglement, and isotropy of representation. Finally, we provide discussions on the dimension control of VNE and the relationship with Shannon entropy. Code is available at: https://github.com/jaeill/CVPR23-VNE.

Inspired by Regularized Lottery Ticket Hypothesis (RLTH), which hypothesizes that there exist smooth (non-binary) subnetworks within a dense network that achieve the competitive performance of the dense network, we propose a few-shot class incremental learning (FSCIL) method referred to as Soft-SubNetworks (SoftNet). Our objective is to learn a sequence of sessions incrementally, where each session only includes a few training instances per class while preserving the knowledge of the previously learned ones. SoftNet jointly learns the model weights and adaptive non-binary soft masks at a base training session in which each mask consists of the major and minor subnetwork; the former aims to minimize catastrophic forgetting during training, and the latter aims to avoid overfitting to a few samples in each new training session. We provide comprehensive empirical validations demonstrating that our SoftNet effectively tackles the few-shot incremental learning problem by surpassing the performance of state-of-the-art baselines over benchmark datasets.

We introduce a novel class of regularization functions, called Cauchy-Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

Neural networks are a powerful class of nonlinear functions that can be trained end-to-end on various applications. While the over-parametrization nature in many neural networks renders the ability to fit complex functions and the strong representation power to handle challenging tasks, it also leads to highly correlated neurons that can hurt the generalization ability and incur unnecessary computation cost. As a result, how to regularize the network to avoid undesired representation redundancy becomes an important issue. To this end, we draw inspiration from a well-known problem in physics -- Thomson problem, where one seeks to find a state that distributes N electrons on a unit sphere as evenly as possible with minimum potential energy. In light of this intuition, we reduce the redundancy regularization problem to generic energy minimization, and propose a minimum hyperspherical energy (MHE) objective as generic regularization for neural networks. We also propose a few novel variants of MHE, and provide some insights from a theoretical point of view. Finally, we apply neural networks with MHE regularization to several challenging tasks. Extensive experiments demonstrate the effectiveness of our intuition, by showing the superior performance with MHE regularization.

Misclassification detection is an important problem in machine learning, as it allows for the identification of instances where the model's predictions are unreliable. However, conventional uncertainty measures such as Shannon entropy do not provide an effective way to infer the real uncertainty associated with the model's predictions. In this paper, we introduce a novel data-driven measure of uncertainty relative to an observer for misclassification detection. By learning patterns in the distribution of soft-predictions, our uncertainty measure can identify misclassified samples based on the predicted class probabilities. Interestingly, according to the proposed measure, soft-predictions corresponding to misclassified instances can carry a large amount of uncertainty, even though they may have low Shannon entropy. We demonstrate empirical improvements over multiple image classification tasks, outperforming state-of-the-art misclassification detection methods.

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

The softmax function is widely used in artificial neural networks for the multiclass classification problems, where the softmax transformation enforces the output to be positive and sum to one, and the corresponding loss function allows to use maximum likelihood principle to optimize the model. However, softmax leaves a large margin for loss function to conduct optimizing operation when it comes to high-dimensional classification, which results in low-performance to some extent. In this paper, we provide an empirical study on a simple and concise softmax variant, namely sparse-softmax, to alleviate the problem that occurred in traditional softmax in terms of high-dimensional classification problems. We evaluate our approach in several interdisciplinary tasks, the experimental results show that sparse-softmax is simpler, faster, and produces better results than the baseline models.

Recently, a race towards the simplification of deep networks has begun, showing that it is effectively possible to reduce the size of these models with minimal or no performance loss. However, there is a general lack in understanding why these pruning strategies are effective. In this work, we are going to compare and analyze pruned solutions with two different pruning approaches, one-shot and gradual, showing the higher effectiveness of the latter. In particular, we find that gradual pruning allows access to narrow, well-generalizing minima, which are typically ignored when using one-shot approaches. In this work we also propose PSP-entropy, a measure to understand how a given neuron correlates to some specific learned classes. Interestingly, we observe that the features extracted by iteratively-pruned models are less correlated to specific classes, potentially making these models a better fit in transfer learning approaches.

The generalization capability of deep neural networks has been substantially improved by applying a wide spectrum of regularization methods, e.g., restricting function space, injecting randomness during training, augmenting data, etc. In this work, we propose a simple yet effective regularization method named progressive self-knowledge distillation (PS-KD), which progressively distills a model's own knowledge to soften hard targets (i.e., one-hot vectors) during training. Hence, it can be interpreted within a framework of knowledge distillation as a student becomes a teacher itself. Specifically, targets are adjusted adaptively by combining the ground-truth and past predictions from the model itself. We show that PS-KD provides an effect of hard example mining by rescaling gradients according to difficulty in classifying examples. The proposed method is applicable to any supervised learning tasks with hard targets and can be easily combined with existing regularization methods to further enhance the generalization performance. Furthermore, it is confirmed that PS-KD achieves not only better accuracy, but also provides high quality of confidence estimates in terms of calibration as well as ordinal ranking. Extensive experimental results on three different tasks, image classification, object detection, and machine translation, demonstrate that our method consistently improves the performance of the state-of-the-art baselines. The code is available at https://github.com/lgcnsai/PS-KD-Pytorch.

The success of recent text-to-image diffusion models is largely due to their capacity to be guided by a complex text prompt, which enables users to precisely describe the desired content. However, these models struggle to effectively suppress the generation of undesired content, which is explicitly requested to be omitted from the generated image in the prompt. In this paper, we analyze how to manipulate the text embeddings and remove unwanted content from them. We introduce two contributions, which we refer to as soft-weighted regularization and inference-time text embedding optimization. The first regularizes the text embedding matrix and effectively suppresses the undesired content. The second method aims to further suppress the unwanted content generation of the prompt, and encourages the generation of desired content. We evaluate our method quantitatively and qualitatively on extensive experiments, validating its effectiveness. Furthermore, our method is generalizability to both the pixel-space diffusion models (i.e. DeepFloyd-IF) and the latent-space diffusion models (i.e. Stable Diffusion).

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

Reinforcement learning with verifiable rewards (RLVR) has shown great promise in enhancing the reasoning abilities of large reasoning models (LRMs). However, it suffers from a critical issue: entropy collapse and premature convergence. Naive entropy regularization, a common approach for encouraging exploration in the traditional RL literature, fails to address this problem in the context of LRM. Our analysis reveals that this failure stems from the vast action space and long trajectories in LRMs, which easily trigger a global entropy explosion as the model indiscriminately explores all possible actions and states. To address this, we propose SIREN (SelectIve entRopy rEgularizatioN), a method that confines exploration to a meaningful subset of actions and states. SIREN achieves this through a two-step entropy masking mechanism, consisting of a top-p mask and a peak-entropy mask. In addition, regularization is transformed into a self-anchored form to stabilize training. Across five mathematical benchmarks, SIREN attains superior average performance over previous entropy-related RLVR approaches, exemplified by a +6.6 maj@k improvement on AIME24/25 with Qwen2.5-Math-7B. Further analysis confirms that SIREN promotes greater response diversity and maintains entropy at an appropriate level, which helps to preserve the validation pass@k throughout training. This effectively mitigates the premature convergence problem common in RLVR for LRM.

Unlearning in large language models (LLMs) has emerged as a promising safeguard against adversarial behaviors. When the forgetting loss is applied uniformly without considering token-level semantic importance, model utility can be unnecessarily degraded. Recent studies have explored token-wise loss regularizers that prioritize informative tokens, but largely rely on ground-truth confidence or external linguistic parsers, which limits their ability to capture contextual information or the model's overall predictive state. Intuitively, function words like "the" primarily serve syntactic roles and are highly predictable with little ambiguity, but informative words admit multiple plausible alternatives with greater uncertainty. Based on this intuition, we propose Entropy-guided Token Weighting (ETW), a token-level unlearning regularizer that uses entropy of the predictive distribution as a proxy for token informativeness. We demonstrate that informative tokens tend to have higher entropy, whereas structural tokens tend to have lower entropy. This behavior enables ETW to achieve more effective unlearning while better preserving model utility than existing token-level approaches.

Classical scaling laws for language model pretraining balance model size against training dataset size under a fixed compute budget, assuming abundant data and a single pass over the corpus. As training compute grows faster than the supply of natural language data, pretraining is likely to enter a data-constrained, compute-rich regime where models train for multiple epochs over a finite dataset. We study data-constrained pretraining along two axes, regularization and scaling. For regularization, we study masked-input regularization (MIR), an auxiliary next-token prediction loss on randomly masked inputs. MIR tests whether the random masking central to diffusion language models can benefit autoregressive pretraining without architectural changes or inference overhead. Across 72M to 1.4B parameter models, we find that MIR added on top of strong weight decay improves validation loss over autoregressive strong-weight-decay-only models, with downstream gains at 1.4B. For scaling, we propose SoftQ, a scaling law that couples model size and data size to capture their interaction under repeated data. Classical alternatives such as the Chinchilla law use an additive form that decouples these terms, making them misspecified in the data-constrained regime. We find that SoftQ fits data-constrained experiments substantially better than these alternatives, and estimates MIR's gains as equivalent to roughly 1.3 times as much unique training data. We release our code at https://github.com/yixinw-lab/dc_pretrain.

Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.

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

Modern text classification methods heavily rely on contextual embeddings from large language models (LLMs). Compared to human-engineered features, these embeddings provide automatic and effective representations for classification model training. However, they also introduce a challenge: we lose the ability to manually remove unintended features, such as sensitive or task-irrelevant features, to guarantee regulatory compliance or improve the generalizability of classification models. This limitation arises because LLM embeddings are opaque and difficult to interpret. In this paper, we propose a novel framework to identify and regularize unintended features in the LLM latent space. Specifically, we first pre-train a sparse autoencoder (SAE) to extract interpretable features from LLM latent spaces. To ensure the SAE can capture task-specific features, we further fine-tune it on task-specific datasets. In training the classification model, we propose a simple and effective regularizer, by minimizing the similarity between the classifier weights and the identified unintended feature, to remove the impact of these unintended features on classification. We evaluate the proposed framework on three real-world tasks, including toxic chat detection, reward modeling, and disease diagnosis. Results show that the proposed self-regularization framework can improve the classifier's generalizability by regularizing those features that are not semantically correlated to the task. This work pioneers controllable text classification on LLM latent spaces by leveraging interpreted features to address generalizability, fairness, and privacy challenges. The code and data are publicly available at https://github.com/JacksonWuxs/Controllable_LLM_Classifier.

A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maximize the entropy of a set of embeddings in some compact space. But the goal of maximizing the embedding entropy often depends--whether explicitly or implicitly--upon high dimensional entropy estimates, which typically perform poorly in more than a few dimensions. In this paper, we motivate an effective entropy maximization criterion (E2MC), defined in terms of easy-to-estimate, low-dimensional constraints. We demonstrate that using it to continue training an already-trained SSL model for only a handful of epochs leads to a consistent and, in some cases, significant improvement in downstream performance. We perform careful ablation studies to show that the improved performance is due to the proposed add-on criterion. We also show that continued pre-training with alternative criteria does not lead to notable improvements, and in some cases, even degrades performance.

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

We propose an effective field-theoretic framework for analyzing Transformer attention through a thermodynamic lens. By constructing a Lagrangian on the information manifold equipped with the Fisher metric, we show that, within the Shannon--Boltzmann entropy framework, the Softmax function arises as a stationary solution minimizing a Helmholtz free energy functional. This establishes a formal correspondence between scaled dot-product attention and canonical ensemble statistics. Extending this mapping to macroscopic observables, we define an effective specific heat associated with fluctuations of the attention energy landscape. In controlled experiments on the modular addition task (p = 19--113), we observe a robust peak in this fluctuation measure that consistently precedes the onset of generalization. While no asymptotic power-law divergence is detected in this finite-depth regime, the reproducible enhancement of energy variance suggests a critical-like crossover accompanying representational reorganization. Our framework provides a unified statistical-mechanical perspective on attention scaling, training dynamics, and positional encoding, interpreting the phenomena as emergent properties of an effective thermodynamic system rather than isolated heuristics. Although the present results indicate finite-size crossover behavior rather than a strict phase transition, they motivate further investigation into scaling limits of deep architectures through fluctuation-based observables.

Deep neural networks exploiting millions of parameters are nowadays the norm in deep learning applications. This is a potential issue because of the great amount of computational resources needed for training, and of the possible loss of generalization performance of overparametrized networks. We propose in this paper a method for learning sparse neural topologies via a regularization technique which identifies non relevant weights and selectively shrinks their norm, while performing a classic update for relevant ones. This technique, which is an improvement of classical weight decay, is based on the definition of a regularization term which can be added to any loss functional regardless of its form, resulting in a unified general framework exploitable in many different contexts. The actual elimination of parameters identified as irrelevant is handled by an iterative pruning algorithm. We tested the proposed technique on different image classification and Natural language generation tasks, obtaining results on par or better then competitors in terms of sparsity and metrics, while achieving strong models compression.

Recent advancements have scaled neural networks to unprecedented sizes, achieving remarkable performance across a wide range of tasks. However, deploying these large-scale models on resource-constrained devices poses significant challenges due to substantial storage and computational requirements. Neural network pruning has emerged as an effective technique to mitigate these limitations by reducing model size and complexity. In this paper, we introduce an intuitive and interpretable pruning method based on activation statistics, rooted in information theory and statistical analysis. Our approach leverages the statistical properties of neuron activations to identify and remove weights with minimal contributions to neuron outputs. Specifically, we build a distribution of weight contributions across the dataset and utilize its parameters to guide the pruning process. Furthermore, we propose a Pruning-aware Training strategy that incorporates an additional regularization term to enhance the effectiveness of our pruning method. Extensive experiments on multiple datasets and network architectures demonstrate that our method consistently outperforms several baseline and state-of-the-art pruning techniques.

We introduce a differentiable estimator of range-partition entropy, a recent concept from computational geometry that enables algorithms to adapt to the "sortedness" of their input. While range-partition entropy provides strong guarantees in algorithm design, it has not yet been made accessible to deep learning. In this work, we (i) propose the first differentiable approximation of range-partition entropy, enabling its use as a trainable loss or regularizer; (ii) design EntropyNet, a neural module that restructures data into low-entropy forms to accelerate downstream instance-optimal algorithms; and (iii) extend this principle beyond geometry by applying entropy regularization directly to Transformer attention. Across tasks, we demonstrate that differentiable entropy improves efficiency without degrading correctness: in geometry, our method achieves up to 4.1times runtime speedups with negligible error (<0.2%); in deep learning, it induces structured attention patterns that yield 6% higher accuracy at 80% sparsity compared to L1 baselines. Our theoretical analysis provides approximation bounds for the estimator, and extensive ablations validate design choices. These results suggest that entropy-bounded computation is not only theoretically elegant but also a practical mechanism for adaptive learning, efficiency, and structured representation.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ 512times 512 unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

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.

Learning compact discrete representations of data is a key task on its own or for facilitating subsequent processing of data. In this paper we present a model that produces Discrete InfoMax Codes (DIMCO); we learn a probabilistic encoder that yields k-way d-dimensional codes associated with input data. Our model's learning objective is to maximize the mutual information between codes and labels with a regularization, which enforces entries of a codeword to be as independent as possible. We show that the infomax principle also justifies previous loss functions (e.g., cross-entropy) as its special cases. Our analysis also shows that using shorter codes, as DIMCO does, reduces overfitting in the context of few-shot classification. Through experiments in various domains, we observe this implicit meta-regularization effect of DIMCO. Furthermore, we show that the codes learned by DIMCO are efficient in terms of both memory and retrieval time compared to previous methods.

Mixture of experts (MoE) has a well-principled finite mixture model construction for prediction, allowing the gating network (mixture weights) to learn from the predictors (explanatory variables) together with the experts' network (mixture component densities). We investigate the estimation properties of MoEs in a high-dimensional setting, where the number of predictors is much larger than the sample size, for which the literature lacks computational and especially theoretical results. We consider the class of finite MoE models with softmax gating functions and Gaussian regression experts, and focus on the theoretical properties of their l_1-regularized estimation via the Lasso. We provide a lower bound on the regularization parameter of the Lasso penalty that ensures an l_1-oracle inequality is satisfied by the Lasso estimator according to the Kullback--Leibler loss. We further state an l_1-ball oracle inequality for the l_1-penalized maximum likelihood estimator from the model selection.

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs.

The Information Bottleneck (IB) method frequently suffers from unstable optimization, characterized by abrupt representation shifts near critical points of the IB trade-off parameter, beta. In this paper, I introduce a novel approach to achieve stable and convex IB optimization through symbolic continuation and entropy-regularized trajectories. I analytically prove convexity and uniqueness of the IB solution path when an entropy regularization term is included, and demonstrate how this stabilizes representation learning across a wide range of eta values. Additionally, I provide extensive sensitivity analyses around critical points (beta) with statistically robust uncertainty quantification (95% confidence intervals). The open-source implementation, experimental results, and reproducibility framework included in this work offer a clear path for practical deployment and future extension of my proposed method.

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the global spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints; (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization, recovering Frobenius and ell_{infty}-norm regularization with SGD-based and sign-based methods. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

SoftMax is a ubiquitous ingredient of modern machine learning algorithms. It maps an input vector onto a probability simplex and reweights the input by concentrating the probability mass at large entries. Yet, as a smooth approximation to the Argmax function, a significant amount of probability mass is distributed to other, residual entries, leading to poor interpretability and noise. Although sparsity can be achieved by a family of SoftMax variants, they often require an alternative loss function and do not preserve multi-modality. We show that this trade-off between multi-modality and sparsity limits the expressivity of SoftMax as well as its variants. We provide a solution to this tension between objectives by proposing a piece-wise differentiable function, termed MultiMax, which adaptively modulates the output distribution according to input entry range. Through comprehensive analysis and evaluation, we show that MultiMax successfully produces a distribution that supresses irrelevant entries while preserving multimodality, with benefits in image classification, language modeling and machine translation. The code is available at https://github.com/ZhouYuxuanYX/MultiMax.

We propose sparsemax, a new activation function similar to the traditional softmax, but able to output sparse probabilities. After deriving its properties, we show how its Jacobian can be efficiently computed, enabling its use in a network trained with backpropagation. Then, we propose a new smooth and convex loss function which is the sparsemax analogue of the logistic loss. We reveal an unexpected connection between this new loss and the Huber classification loss. We obtain promising empirical results in multi-label classification problems and in attention-based neural networks for natural language inference. For the latter, we achieve a similar performance as the traditional softmax, but with a selective, more compact, attention focus.

Recent advances in diffusion models bring state-of-the-art performance on image generation tasks. However, empirical results from previous research in diffusion models imply an inverse correlation between density estimation and sample generation performances. This paper investigates with sufficient empirical evidence that such inverse correlation happens because density estimation is significantly contributed by small diffusion time, whereas sample generation mainly depends on large diffusion time. However, training a score network well across the entire diffusion time is demanding because the loss scale is significantly imbalanced at each diffusion time. For successful training, therefore, we introduce Soft Truncation, a universally applicable training technique for diffusion models, that softens the fixed and static truncation hyperparameter into a random variable. In experiments, Soft Truncation achieves state-of-the-art performance on CIFAR-10, CelebA, CelebA-HQ 256x256, and STL-10 datasets.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Inspired by Regularized Lottery Ticket Hypothesis (RLTH), which states that competitive smooth (non-binary) subnetworks exist within a dense network in continual learning tasks, we investigate two proposed architecture-based continual learning methods which sequentially learn and select adaptive binary- (WSN) and non-binary Soft-Subnetworks (SoftNet) for each task. WSN and SoftNet jointly learn the regularized model weights and task-adaptive non-binary masks of subnetworks associated with each task whilst attempting to select a small set of weights to be activated (winning ticket) by reusing weights of the prior subnetworks. Our proposed WSN and SoftNet are inherently immune to catastrophic forgetting as each selected subnetwork model does not infringe upon other subnetworks in Task Incremental Learning (TIL). In TIL, binary masks spawned per winning ticket are encoded into one N-bit binary digit mask, then compressed using Huffman coding for a sub-linear increase in network capacity to the number of tasks. Surprisingly, in the inference step, SoftNet generated by injecting small noises to the backgrounds of acquired WSN (holding the foregrounds of WSN) provides excellent forward transfer power for future tasks in TIL. SoftNet shows its effectiveness over WSN in regularizing parameters to tackle the overfitting, to a few examples in Few-shot Class Incremental Learning (FSCIL).

Optimization analyses for cross-entropy training rely on local Taylor models of the loss to predict whether a proposed step will decrease the objective. These surrogates are reliable only inside the Taylor convergence radius of the true loss along the update direction. That radius is set not by real-line curvature alone but by the nearest complex singularity. For cross-entropy, the softmax partition function F=sum_j exp(z_j) has complex zeros -- ``ghosts of softmax'' -- that induce logarithmic singularities in the loss and cap this radius. To make this geometry usable, we derive closed-form expressions under logit linearization along the proposed update direction. In the binary case, the exact radius is ρ^*=δ^2+ π^2/Δ_a. In the multiclass case, we obtain the lower bound ρ_a=π/Δ_a, where Δ_a=max_k a_k-min_k a_k is the spread of directional logit derivatives a_k=nabla z_kcdot v. This bound costs one Jacobian-vector product and reveals what makes a step fragile: samples that are both near a decision flip and highly sensitive to the proposed direction tighten the radius. The normalized step size r=τ/ρ_a separates safe from dangerous updates. Across six tested architectures and multiple step directions, no model fails for r<1, yet collapse appears once rge 1. Temperature scaling confirms the mechanism: normalizing by ρ_a shrinks the onset-threshold spread from standard deviation 0.992 to 0.164. A controller that enforces τleρ_a survives learning-rate spikes up to 10{,} 000times in our tests, where gradient clipping still collapses. Together, these results identify a geometric constraint on cross-entropy optimization that operates through Taylor convergence rather than Hessian curvature.

Sparse neural networks are a key factor in developing resource-efficient machine learning applications. We propose the novel and powerful sparse learning method Adaptive Regularized Training (ART) to compress dense into sparse networks. Instead of the commonly used binary mask during training to reduce the number of model weights, we inherently shrink weights close to zero in an iterative manner with increasing weight regularization. Our method compresses the pre-trained model knowledge into the weights of highest magnitude. Therefore, we introduce a novel regularization loss named HyperSparse that exploits the highest weights while conserving the ability of weight exploration. Extensive experiments on CIFAR and TinyImageNet show that our method leads to notable performance gains compared to other sparsification methods, especially in extremely high sparsity regimes up to 99.8 percent model sparsity. Additional investigations provide new insights into the patterns that are encoded in weights with high magnitudes.

Support Vector Machine (SVM) stands out as a prominent machine learning technique widely applied in practical pattern recognition tasks. It achieves binary classification by maximizing the "margin", which represents the minimum distance between instances and the decision boundary. Although many efforts have been dedicated to expanding SVM for multi-class case through strategies such as one versus one and one versus the rest, satisfactory solutions remain to be developed. In this paper, we propose a novel method for multi-class SVM that incorporates pairwise class loss considerations and maximizes the minimum margin. Adhering to this concept, we embrace a new formulation that imparts heightened flexibility to multi-class SVM. Furthermore, the correlations between the proposed method and multiple forms of multi-class SVM are analyzed. The proposed regularizer, akin to the concept of "margin", can serve as a seamless enhancement over the softmax in deep learning, providing guidance for network parameter learning. Empirical evaluations demonstrate the effectiveness and superiority of our proposed method over existing multi-classification methods.

Language models (LMs) are often used as zero-shot or few-shot classifiers by scoring label words, but they remain fragile to adversarial prompts. Prior work typically optimizes task- or model-specific triggers, making results difficult to compare and limiting transferability. We study universal adversarial suffixes: short token sequences (4-10 tokens) that, when appended to any input, broadly reduce accuracy across tasks and models. Our approach learns the suffix in a differentiable "soft" form using Gumbel-Softmax relaxation and then discretizes it for inference. Training maximizes calibrated cross-entropy on the label region while masking gold tokens to prevent trivial leakage, with entropy regularization to avoid collapse. A single suffix trained on one model transfers effectively to others, consistently lowering both accuracy and calibrated confidence. Experiments on sentiment analysis, natural language inference, paraphrase detection, commonsense QA, and physical reasoning with Qwen2-1.5B, Phi-1.5, and TinyLlama-1.1B demonstrate consistent attack effectiveness and transfer across tasks and model families.

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

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

Reasoning ability has become a defining capability of Large Language Models (LLMs), with Reinforcement Learning with Verifiable Rewards (RLVR) emerging as a key paradigm to enhance it. However, RLVR training often suffers from policy entropy collapse, where the policy becomes overly deterministic, hindering exploration and limiting reasoning performance. While entropy regularization is a common remedy, its effectiveness is highly sensitive to the fixed coefficient, making it unstable across tasks and models. In this work, we revisit entropy regularization in RLVR and argue that its potential has been largely underestimated. Our analysis shows that (i) tasks of varying difficulty demand distinct exploration intensities, and (ii) balanced exploration may require the policy entropy to be maintained within a moderate range below its initial level. Therefore, we propose Adaptive Entropy Regularization (AER)--a framework that dynamically balances exploration and exploitation via three components: difficulty-aware coefficient allocation, initial-anchored target entropy, and dynamic global coefficient adjustment. Experiments on multiple mathematical reasoning benchmarks show that AER consistently outperforms baselines, improving both reasoning accuracy and exploration capability.

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

Supervised Fine-Tuning (SFT) followed by Reinforcement Learning (RL) has emerged as the standard post-training paradigm for large language models (LLMs). However, the conventional SFT process, driven by Cross-Entropy (CE) loss, often induces mode collapse, where models over-concentrate on specific response patterns. This lack of distributional diversity severely restricts the exploration efficiency required for subsequent RL. While recent studies have attempted to improve SFT by replacing the CE loss, aiming to preserve diversity or refine the update policy, they fail to adequately balance diversity and accuracy, thereby yielding suboptimal performance after RL. To address the mode collapse problem, we propose SED-SFT, which adaptively encourages diversity based on the token exploration space. This framework introduces a selective entropy regularization term with a selective masking mechanism into the optimization objective. Extensive experiments across eight mathematical benchmarks demonstrate that SED-SFT significantly enhances generation diversity with a negligible computational overhead increase compared with CE loss, yielding average improvements of 2.06 and 1.20 points in subsequent RL performance over standard CE-based baselines on Llama-3.2-3B-Instruct and Qwen2.5-Math-7B-Instruct, respectively. The code is publicly available at https://github.com/pppa2019/SED-SFT

Regularization is a set of techniques that are used to improve the generalization ability of deep neural networks. In this paper, we introduce weight compander (WC), a novel effective method to improve generalization by reparameterizing each weight in deep neural networks using a nonlinear function. It is a general, intuitive, cheap and easy to implement method, which can be combined with various other regularization techniques. Large weights in deep neural networks are a sign of a more complex network that is overfitted to the training data. Moreover, regularized networks tend to have a greater range of weights around zero with fewer weights centered at zero. We introduce a weight reparameterization function which is applied to each weight and implicitly reduces overfitting by restricting the magnitude of the weights while forcing them away from zero at the same time. This leads to a more democratic decision-making in the network. Firstly, individual weights cannot have too much influence in the prediction process due to the restriction of their magnitude. Secondly, more weights are used in the prediction process, since they are forced away from zero during the training. This promotes the extraction of more features from the input data and increases the level of weight redundancy, which makes the network less sensitive to statistical differences between training and test data. We extend our method to learn the hyperparameters of the introduced weight reparameterization function. This avoids hyperparameter search and gives the network the opportunity to align the weight reparameterization with the training progress. We show experimentally that using weight compander in addition to standard regularization methods improves the performance of neural networks.

Natural Language Processing (NLP) models risk overfitting to specific terms in the training data, thereby reducing their performance, fairness, and generalizability. E.g., neural hate speech detection models are strongly influenced by identity terms like gay, or women, resulting in false positives, severe unintended bias, and lower performance. Most mitigation techniques use lists of identity terms or samples from the target domain during training. However, this approach requires a-priori knowledge and introduces further bias if important terms are neglected. Instead, we propose a knowledge-free Entropy-based Attention Regularization (EAR) to discourage overfitting to training-specific terms. An additional objective function penalizes tokens with low self-attention entropy. We fine-tune BERT via EAR: the resulting model matches or exceeds state-of-the-art performance for hate speech classification and bias metrics on three benchmark corpora in English and Italian. EAR also reveals overfitting terms, i.e., terms most likely to induce bias, to help identify their effect on the model, task, and predictions.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

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

Masked language modeling is a widely used method for learning language representations, where the model predicts a randomly masked word in each input. However, this approach typically considers only a single correct answer during training, ignoring the variety of plausible alternatives that humans might choose. This issue becomes more pronounced when the input text is short, as the possible word distribution tends to have higher entropy, potentially causing the model to become overconfident in its predictions. To mitigate this, we propose a novel confidence regularizer that adaptively adjusts the regularization strength based on the input length. Experiments on the GLUE and SQuAD benchmarks show that our method improves both accuracy and expected calibration error

Reinforcement learning with verifiers (RLVR) is a central paradigm for improving large language model (LLM) reasoning, yet existing methods often suffer from limited exploration. Policies tend to collapse onto a few reasoning patterns and prematurely stop deep exploration, while conventional entropy regularization introduces only local stochasticity and fails to induce meaningful path-level diversity, leading to weak and unstable learning signals in group-based policy optimization. We propose DSDR, a Dual-Scale Diversity Regularization reinforcement learning framework that decomposes diversity in LLM reasoning into global and coupling components. Globally, DSDR promotes diversity among correct reasoning trajectories to explore distinct solution modes. Locally, it applies a length-invariant, token-level entropy regularization restricted to correct trajectories, preventing entropy collapse within each mode while preserving correctness. The two scales are coupled through a global-to-local allocation mechanism that emphasizes local regularization for more distinctive correct trajectories. We provide theoretical support showing that DSDR preserves optimal correctness under bounded regularization, sustains informative learning signals in group-based optimization, and yields a principled global-to-local coupling rule. Experiments on multiple reasoning benchmarks demonstrate consistent improvements in accuracy and pass@k, highlighting the importance of dual-scale diversity for deep exploration in RLVR. Code is available at https://github.com/SUSTechBruce/DSDR.

Semi-supervised learning, i.e. jointly learning from labeled and unlabeled samples, is an active research topic due to its key role on relaxing human supervision. In the context of image classification, recent advances to learn from unlabeled samples are mainly focused on consistency regularization methods that encourage invariant predictions for different perturbations of unlabeled samples. We, conversely, propose to learn from unlabeled data by generating soft pseudo-labels using the network predictions. We show that a naive pseudo-labeling overfits to incorrect pseudo-labels due to the so-called confirmation bias and demonstrate that mixup augmentation and setting a minimum number of labeled samples per mini-batch are effective regularization techniques for reducing it. The proposed approach achieves state-of-the-art results in CIFAR-10/100, SVHN, and Mini-ImageNet despite being much simpler than other methods. These results demonstrate that pseudo-labeling alone can outperform consistency regularization methods, while the opposite was supposed in previous work. Source code is available at https://git.io/fjQsC.

The pervasiveness of proprietary language models has raised privacy concerns for users' sensitive data, emphasizing the need for private inference (PI), where inference is performed directly on encrypted inputs. However, current PI methods face prohibitively higher communication and latency overheads, primarily due to nonlinear operations. In this paper, we present a comprehensive analysis to understand the role of nonlinearities in transformer-based decoder-only language models. We introduce AERO, a four-step architectural optimization framework that refines the existing LLM architecture for efficient PI by systematically removing nonlinearities such as LayerNorm and GELU and reducing FLOPs counts. For the first time, we propose a Softmax-only architecture with significantly fewer FLOPs tailored for efficient PI. Furthermore, we devise a novel entropy regularization technique to improve the performance of Softmax-only models. AERO achieves up to 4.23times communication and 1.94times latency reduction. We validate the effectiveness of AERO by benchmarking it against the state-of-the-art.

Contrastive learning has become a cornerstone of modern representation learning, allowing training with massive unlabeled data for both task-specific and general (foundation) models. A prototypical loss in contrastive training is InfoNCE and its variants. In this work, we show that the InfoNCE objective induces Gaussian structure in representations that emerge from contrastive training. We establish this result in two complementary regimes. First, we show that under certain alignment and concentration assumptions, projections of the high-dimensional representation asymptotically approach a multivariate Gaussian distribution. Next, under less strict assumptions, we show that adding a small asymptotically vanishing regularization term that promotes low feature norm and high feature entropy leads to similar asymptotic results. We support our analysis with experiments on synthetic and CIFAR-10 datasets across multiple encoder architectures and sizes, demonstrating consistent Gaussian behavior. This perspective provides a principled explanation for commonly observed Gaussianity in contrastive representations. The resulting Gaussian model enables principled analytical treatment of learned representations and is expected to support a wide range of applications in contrastive learning.

Large language models (LLMs) trained for step-by-step reasoning often become excessively verbose, raising inference cost. Standard Reinforcement Learning with Verifiable Rewards (RLVR) pipelines filter out ``easy'' problems for training efficiency, leaving the model to train primarily on harder problems that require longer reasoning chains. This skews the output length distribution upward, resulting in a model that conflates ``thinking longer'' with ``thinking better''. In this work, we show that retaining and modestly up-weighting moderately easy problems acts as an implicit length regularizer. Exposing the model to solvable short-chain tasks constrains its output distribution and prevents runaway verbosity. The result is \emph{emergent brevity for free}: the model learns to solve harder problems without inflating the output length, despite the absence of any explicit length penalization. RLVR experiments using this approach on Qwen3-4B-Thinking-2507 (with a 16k token limit) achieve baseline pass@1 AIME25 accuracy while generating solutions that are, on average, nearly twice as short. The code is available at https://github.com/MBZUAI-Paris/Frugal-AI{GitHub}, with datasets and models on https://huggingface.co/collections/MBZUAI-Paris/k2-think-mini-68dcfa8b114686a4bd3dc2bc{Hugging Face}.

Diffusion models have gained prominence in generating high-quality sequences of text. Nevertheless, current approaches predominantly represent discrete text within a continuous diffusion space, which incurs substantial computational overhead during training and results in slower sampling speeds. In this paper, we introduce a soft absorbing state that facilitates the diffusion model in learning to reconstruct discrete mutations based on the underlying Gaussian space, thereby enhancing its capacity to recover conditional signals. During the sampling phase, we employ state-of-the-art ODE solvers within the continuous space to expedite the sampling process. Comprehensive experimental evaluations reveal that our proposed method effectively accelerates the training convergence by 4x and generates samples of similar quality 800x faster, rendering it significantly closer to practical application. The code is released at \url{https://github.com/Shark-NLP/DiffuSeq

Compression is fundamental to intelligence. A model that can represent its training data as a short code has discovered regularities that enable generalization. Large neural networks may learn functions far simpler than their parameter counts suggest, but it is challenging to construct codes that realize this simplicity. Parameter-based methods such as quantization produce code lengths that scale with model size, insensitive to how much information the parameters store. Prequential coding bypasses this issue by compressing the training trajectory, but codes the exact data sequence regardless of how much the model learns, yielding large codes when the data has high entropy. We introduce requential coding, where a teacher model selects training samples drawn from the student's own distribution. The student's code records only these selections, which cost bits only where teacher and student disagree. The resulting code length is independent of parameter count and data entropy, and often orders of magnitude shorter than the prequential counterpart, with an advantage that grows with scale. This compression sheds light on phenomena inaccessible to prior compressors. Holding loss fixed, larger models and ensembles compress to much smaller sizes despite more parameters. Plugged into a PAC-Bayes bound, the requential code yields state-of-the-art generalization guarantees for billion-parameter LLMs, outperforming bounds built on aggressive post-training quantization even granted zero error. The bound tightens with scale in the compute-optimal regime, as models become increasingly compressible relative to dataset size. The same code predicts that models gradually overfit when trained for multiple epochs. It also isolates the learnable information in a dataset from its unpredictable, random content, revealing that lower-entropy text holds far more learnable structure than higher-entropy image data.

Reinforcement Learning with Verifiable Rewards (RLVR) has propelled Large Language Models in complex reasoning, yet its scalability is often hindered by a training bottleneck where performance plateaus as policy entropy collapses, signaling a loss of exploration. Previous methods typically address this by maintaining high policy entropy, yet the precise mechanisms that govern meaningful exploration have remained underexplored. Our analysis suggests that an unselective focus on entropy risks amplifying irrelevant tokens and destabilizing training. This paper investigates the exploration dynamics within RLVR and identifies a key issue: the gradual elimination of valuable low-probability exploratory tokens, which we term \textit{reasoning sparks}. We find that while abundant in pre-trained models, these sparks are systematically extinguished during RLVR due to over-penalization, leading to a degeneracy in exploration. To address this, we introduce Low-probability Regularization (Lp-Reg). Its core mechanism regularizes the policy towards a heuristic proxy distribution. This proxy is constructed by filtering out presumed noise tokens and re-normalizing the distribution over the remaining candidates. The result is a less-noisy proxy where the probability of reasoning sparks is amplified, which then serves as a soft regularization target to shield these valuable tokens from elimination via KL divergence. Experiments show that Lp-Reg enables stable on-policy training for around 1,000 steps, a regime where baseline entropy-control methods collapse. This sustained exploration leads to state-of-the-art performance, achieving a 60.17% average accuracy on five math benchmarks, an improvement of 2.66% over prior methods. Code is available at https://github.com/CarlanLark/Lp-Reg.

Policy optimization methods are popular reinforcement learning algorithms in practice. Recent works have built theoretical foundation for them by proving T regret bounds even when the losses are adversarial. Such bounds are tight in the worst case but often overly pessimistic. In this work, we show that in tabular Markov decision processes (MDPs), by properly designing the regularizer, the exploration bonus and the learning rates, one can achieve a more favorable polylog(T) regret when the losses are stochastic, without sacrificing the worst-case guarantee in the adversarial regime. To our knowledge, this is also the first time a gap-dependent polylog(T) regret bound is shown for policy optimization. Specifically, we achieve this by leveraging a Tsallis entropy or a Shannon entropy regularizer in the policy update. Then we show that under known transitions, we can further obtain a first-order regret bound in the adversarial regime by leveraging the log-barrier regularizer.

Trust Region Policy Optimization (TRPO) is a popular and empirically successful policy search algorithm in reinforcement learning (RL). It iteratively solved the surrogate problem which restricts consecutive policies to be close to each other. TRPO is an on-policy algorithm. On-policy methods bring many benefits, like the ability to gauge each resulting policy. However, they typically discard all the knowledge about the policies which existed before. In this work, we use a replay buffer to borrow from the off-policy learning setting to TRPO. Entropy regularization is usually used to improve policy optimization in reinforcement learning. It is thought to aid exploration and generalization by encouraging more random policy choices. We add an Entropy regularization term to advantage over π, accumulated over time steps, in TRPO. We call this update EnTRPO. Our experiments demonstrate EnTRPO achieves better performance for controlling a Cart-Pole system compared with the original TRPO

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

Normalizing Flows (NFs) are widely used in deep generative models for their exact likelihood estimation and efficient sampling. However, they require substantial memory since the latent space matches the input dimension. Multi-scale architectures address this by progressively reducing latent dimensions while preserving reversibility. Existing multi-scale architectures use simple, static channel-wise splitting, limiting expressiveness. To improve this, we introduce a regularized, feature-dependent Shuffle operation and integrate it into vanilla multi-scale architecture. This operation adaptively generates channel-wise weights and shuffles latent variables before splitting them. We observe that such operation guides the variables to evolve in the direction of entropy increase, hence we refer to NFs with the Shuffle operation as Entropy-Informed Weighting Channel Normalizing Flow (EIW-Flow). Extensive experiments on CIFAR-10, CelebA, ImageNet, and LSUN demonstrate that EIW-Flow achieves state-of-the-art density estimation and competitive sample quality for deep generative modeling, with minimal computational overhead.

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

Sparse Autoencoders (SAEs) have shown promise in improving the interpretability of neural network activations, but can learn features that are not features of the input, limiting their effectiveness. We propose Mutual Feature Regularization (MFR), a regularization technique for improving feature learning by encouraging SAEs trained in parallel to learn similar features. We motivate MFR by showing that features learned by multiple SAEs are more likely to correlate with features of the input. By training on synthetic data with known features of the input, we show that MFR can help SAEs learn those features, as we can directly compare the features learned by the SAE with the input features for the synthetic data. We then scale MFR to SAEs that are trained to denoise electroencephalography (EEG) data and SAEs that are trained to reconstruct GPT-2 Small activations. We show that MFR can improve the reconstruction loss of SAEs by up to 21.21\% on GPT-2 Small, and 6.67\% on EEG data. Our results suggest that the similarity between features learned by different SAEs can be leveraged to improve SAE training, thereby enhancing performance and the usefulness of SAEs for model interpretability.

We introduce softpick, a rectified, not sum-to-one, drop-in replacement for softmax in transformer attention mechanisms that eliminates attention sink and massive activations. Our experiments with 340M parameter models demonstrate that softpick maintains performance parity with softmax on standard benchmarks while achieving 0% sink rate. The softpick transformer produces hidden states with significantly lower kurtosis (340 vs 33,510) and creates sparse attention maps (46.97% sparsity). Models using softpick consistently outperform softmax when quantized, with particularly pronounced advantages at lower bit precisions. Our analysis and discussion shows how softpick has the potential to open new possibilities for quantization, low-precision training, sparsity optimization, pruning, and interpretability. Our code is available at https://github.com/zaydzuhri/softpick-attention.

We argue that the estimation of mutual information between high dimensional continuous random variables can be achieved by gradient descent over neural networks. We present a Mutual Information Neural Estimator (MINE) that is linearly scalable in dimensionality as well as in sample size, trainable through back-prop, and strongly consistent. We present a handful of applications on which MINE can be used to minimize or maximize mutual information. We apply MINE to improve adversarially trained generative models. We also use MINE to implement Information Bottleneck, applying it to supervised classification; our results demonstrate substantial improvement in flexibility and performance in these settings.

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

Due to the difficulty of collecting exhaustive multi-label annotations, multi-label datasets often contain partial labels. We consider an extreme of this weakly supervised learning problem, called single positive multi-label learning (SPML), where each multi-label training image has only one positive label. Traditionally, all unannotated labels are assumed as negative labels in SPML, which introduces false negative labels and causes model training to be dominated by assumed negative labels. In this work, we choose to treat all unannotated labels from an alternative perspective, i.e. acknowledging they are unknown. Hence, we propose entropy-maximization (EM) loss to attain a special gradient regime for providing proper supervision signals. Moreover, we propose asymmetric pseudo-labeling (APL), which adopts asymmetric-tolerance strategies and a self-paced procedure, to cooperate with EM loss and then provide more precise supervision. Experiments show that our method significantly improves performance and achieves state-of-the-art results on all four benchmarks. Code is available at https://github.com/Correr-Zhou/SPML-AckTheUnknown.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions f = g circ h, one may equivalently penalize the average squared Frobenius norm of Jg and Jh. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.

This study presents the development of a spatially adaptive weighting strategy for Total Variation regularization, aimed at addressing under-determined linear inverse problems. The method leverages the rapid computation of an accurate approximation of the true image (or its gradient magnitude) through a neural network. Our approach operates without requiring prior knowledge of the noise intensity in the data and avoids the iterative recomputation of weights. Additionally, the paper includes a theoretical analysis of the proposed method, establishing its validity as a regularization approach. This framework integrates advanced neural network capabilities within a regularization context, thereby making the results of the networks interpretable. The results are promising as they enable high-quality reconstructions from limited-view tomographic measurements.

Large language models have achieved remarkable success in recent years, primarily due to the implementation of self-attention mechanisms. However, traditional Softmax attention suffers from numerical instability and reduced performance as the length of inference tokens increases. This paper addresses these issues by decomposing the Softmax operation into a non-linear transformation and the l_1-norm. We identify the latter as essential for maintaining model performance. By replacing the non-linear transformation with the Softplus activation function and introducing a dynamic scale factor for different token lengths based on invariance entropy, we create a novel attention mechanism with performance better than conventional Softmax attention across various inference lengths. To further improve the length extrapolation ability of the proposed attention mechanism, we introduce a fine-tuning-free re-weighting mechanism that amplifies significant attention weights while diminishing weaker ones, enabling the model to concentrate more effectively on relevant tokens without requiring retraining. When combined with our proposed attention mechanism, this approach demonstrates significant promise in managing longer sequences, maintaining nearly constant validation loss even at 16times the training token length while ensuring numerical stability. Our code is available at: https://github.com/iminfine/freeatten.

Data augmentation is a popular tool for single source domain generalization, which expands the source domain by generating simulated ones, improving generalization on unseen target domains. In this work, we show that the performance of such augmentation-based methods in the target domains universally fluctuates during training, posing challenges in model selection under realistic scenarios. We argue that the fluctuation stems from the inability of the model to accumulate the knowledge learned from diverse augmentations, exacerbating feature distortion during training. Based on this observation, we propose a novel generalization method, coined Parameter-Space Ensemble with Entropy Regularization (PEER), that uses a proxy model to learn the augmented data on behalf of the main model. The main model is updated by averaging its parameters with the proxy model, progressively accumulating knowledge over the training steps. Maximizing the mutual information between the output representations of the two models guides the learning process of the proxy model, mitigating feature distortion during training. Experimental results demonstrate the effectiveness of PEER in reducing the OOD performance fluctuation and enhancing generalization across various datasets, including PACS, Digits, Office-Home, and VLCS. Notably, our method with simple random augmentation achieves state-of-the-art performance, surpassing prior approaches on sDG that utilize complex data augmentation strategies.

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

Conditional Generative Adversarial Networks are known to be difficult to train, especially when the conditions are continuous and high-dimensional. To partially alleviate this difficulty, we propose a simple generator regularization term on the GAN generator loss in the form of Lipschitz penalty. Thus, when the generator is fed with neighboring conditions in the continuous space, the regularization term will leverage the neighbor information and push the generator to generate samples that have similar conditional distributions for each neighboring condition. We analyze the effect of the proposed regularization term and demonstrate its robust performance on a range of synthetic and real-world tasks.

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate collaborative filtering research.We introduce a generative model with multinomial likelihood and use Bayesian inference for parameter estimation. Despite widespread use in language modeling and economics, the multinomial likelihood receives less attention in the recommender systems literature. We introduce a different regularization parameter for the learning objective, which proves to be crucial for achieving competitive performance. Remarkably, there is an efficient way to tune the parameter using annealing. The resulting model and learning algorithm has information-theoretic connections to maximum entropy discrimination and the information bottleneck principle. Empirically, we show that the proposed approach significantly outperforms several state-of-the-art baselines, including two recently-proposed neural network approaches, on several real-world datasets. We also provide extended experiments comparing the multinomial likelihood with other commonly used likelihood functions in the latent factor collaborative filtering literature and show favorable results. Finally, we identify the pros and cons of employing a principled Bayesian inference approach and characterize settings where it provides the most significant improvements.

In this paper, we study the problem of learning image classification models in the presence of label noise. We revisit a simple compression regularization named Nested Dropout. We find that Nested Dropout, though originally proposed to perform fast information retrieval and adaptive data compression, can properly regularize a neural network to combat label noise. Moreover, owing to its simplicity, it can be easily combined with Co-teaching to further boost the performance. Our final model remains simple yet effective: it achieves comparable or even better performance than the state-of-the-art approaches on two real-world datasets with label noise which are Clothing1M and ANIMAL-10N. On Clothing1M, our approach obtains 74.9% accuracy which is slightly better than that of DivideMix. On ANIMAL-10N, we achieve 84.1% accuracy while the best public result by PLC is 83.4%. We hope that our simple approach can be served as a strong baseline for learning with label noise. Our implementation is available at https://github.com/yingyichen-cyy/Nested-Co-teaching.

Large Language Models (LLMs) typically rely on Supervised Fine-Tuning (SFT) to specialize in downstream tasks, with the Cross Entropy (CE) loss being the de facto choice. However, CE maximizes the likelihood of observed data without accounting for alternative possibilities. As such, CE usually leads to reduced diversity in the model's outputs, which hinders further development that requires sampling to explore better responses. To address this limitation, this paper introduces a new game-theoretic formulation for SFT. In this framework, an auxiliary variable is introduced to regulate the learning process. We prove that the proposed game-theoretic approach connects to the problem of reverse KL minimization with entropy regularization. This regularization prevents over-memorization of training data and promotes output diversity. To implement this framework, we develop GEM, a new training algorithm that is computationally efficient as CE by leveraging some unique properties of LLMs. Empirical studies of pre-trained models from 3B to 70B parameters show that GEM achieves comparable downstream performance to CE while significantly enhancing output diversity. This increased diversity translates to performance gains in test-time compute scaling for chat and code generation tasks. Moreover, we observe that preserving output diversity has the added benefit of mitigating forgetting, as maintaining diverse outputs encourages models to retain pre-trained knowledge throughout the training process.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

In this paper, we propose to use the general L^2-based Sobolev norms, i.e., H^s norms where sin R, to measure the data discrepancy due to noise in image processing tasks that are formulated as optimization problems. As opposed to a popular trend of developing regularization methods, we emphasize that an implicit regularization effect can be achieved through the class of Sobolev norms as the data-fitting term. Specifically, we analyze that the implicit regularization comes from the weights that the H^s norm imposes on different frequency contents of an underlying image. We further analyze the underlying noise assumption of using the Sobolev norm as the data-fitting term from a Bayesian perspective, build the connections with the Sobolev gradient-based methods and discuss the preconditioning effects on the convergence rate of the gradient descent algorithm, leading to a better understanding of functional spaces/metrics and the optimization process involved in image processing. Numerical results in full waveform inversion, image denoising and deblurring demonstrate the implicit regularization effects.

Domain Generalization (DG) is a critical area that focuses on developing models capable of performing well on data from unseen distributions, which is essential for real-world applications. Existing approaches primarily concentrate on learning domain-invariant features, which assume that a model robust to variations in the source domains will generalize well to unseen target domains. However, these approaches neglect a deeper analysis at the parameter level, which makes the model hard to explicitly differentiate between parameters sensitive to domain shifts and those robust, potentially hindering its overall ability to generalize. In order to address these limitations, we first build a covariance-based parameter sensitivity analysis framework to quantify the sensitivity of each parameter in a model to domain shifts. By computing the covariance of parameter gradients across multiple source domains, we can identify parameters that are more susceptible to domain variations, which serves as our theoretical foundation. Based on this, we propose Domain-Sensitive Parameter Regularization (DSP-Reg), a principled framework that guides model optimization by a soft regularization technique that encourages the model to rely more on domain-invariant parameters while suppressing those that are domain-specific. This approach provides a more granular control over the model's learning process, leading to improved robustness and generalization to unseen domains. Extensive experiments on benchmarks, such as PACS, VLCS, OfficeHome, and DomainNet, demonstrate that DSP-Reg outperforms state-of-the-art approaches, achieving an average accuracy of 66.7\% and surpassing all baselines.

The mechanisms behind the success of multi-view self-supervised learning (MVSSL) are not yet fully understood. Contrastive MVSSL methods have been studied through the lens of InfoNCE, a lower bound of the Mutual Information (MI). However, the relation between other MVSSL methods and MI remains unclear. We consider a different lower bound on the MI consisting of an entropy and a reconstruction term (ER), and analyze the main MVSSL families through its lens. Through this ER bound, we show that clustering-based methods such as DeepCluster and SwAV maximize the MI. We also re-interpret the mechanisms of distillation-based approaches such as BYOL and DINO, showing that they explicitly maximize the reconstruction term and implicitly encourage a stable entropy, and we confirm this empirically. We show that replacing the objectives of common MVSSL methods with this ER bound achieves competitive performance, while making them stable when training with smaller batch sizes or smaller exponential moving average (EMA) coefficients. Github repo: https://github.com/apple/ml-entropy-reconstruction.

We report the effects of replacing the scaled dot-product (within softmax) attention with the negative-log of Euclidean distance. This form of attention simplifies to inverse distance weighting interpolation. Used in simple one hidden layer networks and trained with vanilla cross-entropy loss on classification problems, it tends to produce a key matrix containing prototypes and a value matrix with corresponding logits. We also show that the resulting interpretable networks can be augmented with manually-constructed prototypes to perform low-impact handling of special cases.

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

Physics-Informed Neural Networks (PINNs) have emerged recently as a promising application of deep neural networks to the numerical solution of nonlinear partial differential equations (PDEs). However, it has been recognized that adaptive procedures are needed to force the neural network to fit accurately the stubborn spots in the solution of "stiff" PDEs. In this paper, we propose a fundamentally new way to train PINNs adaptively, where the adaptation weights are fully trainable and applied to each training point individually, so the neural network learns autonomously which regions of the solution are difficult and is forced to focus on them. The self-adaptation weights specify a soft multiplicative soft attention mask, which is reminiscent of similar mechanisms used in computer vision. The basic idea behind these SA-PINNs is to make the weights increase as the corresponding losses increase, which is accomplished by training the network to simultaneously minimize the losses and maximize the weights. In addition, we show how to build a continuous map of self-adaptive weights using Gaussian Process regression, which allows the use of stochastic gradient descent in problems where conventional gradient descent is not enough to produce accurate solutions. Finally, we derive the Neural Tangent Kernel matrix for SA-PINNs and use it to obtain a heuristic understanding of the effect of the self-adaptive weights on the dynamics of training in the limiting case of infinitely-wide PINNs, which suggests that SA-PINNs work by producing a smooth equalization of the eigenvalues of the NTK matrix corresponding to the different loss terms. In numerical experiments with several linear and nonlinear benchmark problems, the SA-PINN outperformed other state-of-the-art PINN algorithm in L2 error, while using a smaller number of training epochs.

We present FerKD, a novel efficient knowledge distillation framework that incorporates partial soft-hard label adaptation coupled with a region-calibration mechanism. Our approach stems from the observation and intuition that standard data augmentations, such as RandomResizedCrop, tend to transform inputs into diverse conditions: easy positives, hard positives, or hard negatives. In traditional distillation frameworks, these transformed samples are utilized equally through their predictive probabilities derived from pretrained teacher models. However, merely relying on prediction values from a pretrained teacher, a common practice in prior studies, neglects the reliability of these soft label predictions. To address this, we propose a new scheme that calibrates the less-confident regions to be the context using softened hard groundtruth labels. Our approach involves the processes of hard regions mining + calibration. We demonstrate empirically that this method can dramatically improve the convergence speed and final accuracy. Additionally, we find that a consistent mixing strategy can stabilize the distributions of soft supervision, taking advantage of the soft labels. As a result, we introduce a stabilized SelfMix augmentation that weakens the variation of the mixed images and corresponding soft labels through mixing similar regions within the same image. FerKD is an intuitive and well-designed learning system that eliminates several heuristics and hyperparameters in former FKD solution. More importantly, it achieves remarkable improvement on ImageNet-1K and downstream tasks. For instance, FerKD achieves 81.2% on ImageNet-1K with ResNet-50, outperforming FKD and FunMatch by remarkable margins. Leveraging better pre-trained weights and larger architectures, our finetuned ViT-G14 even achieves 89.9%. Our code is available at https://github.com/szq0214/FKD/tree/main/FerKD.

We present a SemiEmpirical Theory of Learning (SETOL) that explains the remarkable performance of State-Of-The-Art (SOTA) Neural Networks (NNs). We provide a formal explanation of the origin of the fundamental quantities in the phenomenological theory of Heavy-Tailed Self-Regularization (HTSR): the heavy-tailed power-law layer quality metrics, alpha and alpha-hat. In prior work, these metrics have been shown to predict trends in the test accuracies of pretrained SOTA NN models, importantly, without needing access to either testing or training data. Our SETOL uses techniques from statistical mechanics as well as advanced methods from random matrix theory and quantum chemistry. The derivation suggests new mathematical preconditions for ideal learning, including a new metric, ERG, which is equivalent to applying a single step of the Wilson Exact Renormalization Group. We test the assumptions and predictions of SETOL on a simple 3-layer multilayer perceptron (MLP), demonstrating excellent agreement with the key theoretical assumptions. For SOTA NN models, we show how to estimate the individual layer qualities of a trained NN by simply computing the empirical spectral density (ESD) of the layer weight matrices and plugging this ESD into our SETOL formulas. Notably, we examine the performance of the HTSR alpha and the SETOL ERG layer quality metrics, and find that they align remarkably well, both on our MLP and on SOTA NNs.

We consider the problem of accurate quantization for language models, where both the weights and activations are uniformly quantized to 4 bits per parameter, the lowest bitwidth format natively supported by GPU hardware. In this context, the key challenge is activation quantization: it is known that language models contain outlier channels whose values on average are orders of magnitude higher than than other channels, which prevents accurate low-bitwidth quantization with known techniques. We systematically study this phenomena and find that these outlier channels emerge early in training, and that they occur more frequently in layers with residual streams. We then propose a simple strategy which regularizes a layer's inputs via quantization-aware training (QAT) and its outputs via activation kurtosis regularization. We show that regularizing both the inputs and outputs is crucial for preventing a model's "migrating" the difficulty in input quantization to the weights, which makes post-training quantization (PTQ) of weights more difficult. When combined with weight PTQ, we show that our approach can obtain a W4A4 model that performs competitively to the standard-precision W16A16 baseline.

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively. Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range. Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage, and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, +3.38%, and +2.40% Recall@50 accuracy over a strong baseline, respectively.

Image super-resolution (SR) has witnessed extensive neural network designs from CNN to transformer architectures. However, prevailing SR models suffer from prohibitive memory footprint and intensive computations, which limits further deployment on edge devices. This work investigates the potential of network pruning for super-resolution to take advantage of off-the-shelf network designs and reduce the underlying computational overhead. Two main challenges remain in applying pruning methods for SR. First, the widely-used filter pruning technique reflects limited granularity and restricted adaptability to diverse network structures. Second, existing pruning methods generally operate upon a pre-trained network for the sparse structure determination, hard to get rid of dense model training in the traditional SR paradigm. To address these challenges, we adopt unstructured pruning with sparse models directly trained from scratch. Specifically, we propose a novel Iterative Soft Shrinkage-Percentage (ISS-P) method by optimizing the sparse structure of a randomly initialized network at each iteration and tweaking unimportant weights with a small amount proportional to the magnitude scale on-the-fly. We observe that the proposed ISS-P can dynamically learn sparse structures adapting to the optimization process and preserve the sparse model's trainability by yielding a more regularized gradient throughput. Experiments on benchmark datasets demonstrate the effectiveness of the proposed ISS-P over diverse network architectures. Code is available at https://github.com/Jiamian-Wang/Iterative-Soft-Shrinkage-SR

Low-rank factorization is widely used to compress neural networks, but modern models are often not naturally amenable to aggressive factorization without significant accuracy loss. Existing training-time low-rank regularizers can improve compressibility, but they often require SVDs of large weight matrices, modify the model architecture (introducing additional trainable parameters), or rely on stateful cached quantities. To address these limitations, we introduce SLORR, a simple, stateless, and architecture-preserving framework for in-training low-rank regularization, instantiated with two main variants based on the Hoyer sparsity metric and the nuclear norm. SLORR directly regularizes the original weight matrices using GPU-friendly approximations for the forward and backward passes of the regularizers, for which we provide approximation guarantees. We first evaluate SLORR on ImageNet-1K across short-horizon continued training of ResNet-50, ViT-B/16, and ViT-L/16, and pretraining of ResNet-18, where SLORR induces compressibility while introducing less than 8% training overhead. We further evaluate SLORR-Hoyer in LLM pretraining at 135M and 560M scales: SLORR-trained compressed models preserve performance substantially better than unregularized models while adding less than 1% average training overhead.

Backpropagation, which uses the chain rule, is the de-facto standard algorithm for optimizing neural networks nowadays. Recently, Hinton (2022) proposed the forward-forward algorithm, a promising alternative that optimizes neural nets layer-by-layer, without propagating gradients throughout the network. Although such an approach has several advantages over back-propagation and shows promising results, the fact that each layer is being trained independently limits the optimization process. Specifically, it prevents the network's layers from collaborating to learn complex and rich features. In this work, we study layer collaboration in the forward-forward algorithm. We show that the current version of the forward-forward algorithm is suboptimal when considering information flow in the network, resulting in a lack of collaboration between layers of the network. We propose an improved version that supports layer collaboration to better utilize the network structure, while not requiring any additional assumptions or computations. We empirically demonstrate the efficacy of the proposed version when considering both information flow and objective metrics. Additionally, we provide a theoretical motivation for the proposed method, inspired by functional entropy theory.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Language models (LMs) are often adapted through supervised fine-tuning (SFT) to specialize their capabilities for downstream tasks. However, in typical scenarios where the fine-tuning data is limited, e.g., compared to pre-training, SFT can lead LMs to overfit, causing them to rely on spurious patterns within the target task or to compromise other broadly useful capabilities as a side effect of narrow specialization. In this paper, we propose Learning-from-the-Undesirable (LfU), a simple yet effective regularization scheme for SFT to mitigate overfitting issues when fine-tuning LMs with limited data. Specifically, we aim to regularize the fine-tuning process to favor solutions that are resilient to "undesirable" model updates, e.g., gradient ascent steps that steer the model toward undesirable behaviors. To this end, we propose a novel form of consistency regularization that directly aligns internal representations of the model with those after an undesirable update. By leveraging representation-level data augmentation through undesirable updates, LfU effectively promotes generalization under limited data. Our experiments on diverse LM downstream tasks show that LfU serves as an effective prior that enhances adaptability while preserving pretrained knowledge. For example, our LM from LfU achieves a 16.8% average improvement on math tasks compared to vanilla SFT on the same dataset, where the latter even leads to degraded performance on those tasks. Furthermore, LfU exhibits improved robustness to prompt variations, e.g., yielding a 92.1% lower standard deviation in output performances compared to SFT, highlighting its versatile effects.

Multiple Instance Learning (MIL) has demonstrated effectiveness in analyzing whole slide images (WSIs), yet it often encounters overfitting challenges in real-world applications, particularly in the form of attention over-concentration. While existing methods to alleviate this issue introduce complex modules or processing steps, such as multiple-stage training and teacher-student distillation, this paper proposes a simple yet effective regularization: Attention Entropy Maximization (AEM). Motivated by our investigation revealing a positive correlation between attention entropy and model performance, AEM incorporates a negative entropy loss for attention values into the standard MIL framework, penalizing overly concentrated attention and encouraging the model to consider a broader range of informative regions in WSIs, potentially improving its generalization capabilities. Compared to existing overfitting mitigation methods, our AEM approach offers advantages of simplicity, efficiency, and versatility. It requires no additional modules or processing steps, involves only one hyperparameter, and demonstrates compatibility with MIL frameworks and techniques. These advantages make AEM particularly attractive for practical applications. We evaluate AEM on three benchmark datasets, demonstrating consistent performance improvements over existing methods. Furthermore, AEM shows high versatility, integrating effectively with four feature extractors, two advanced MIL frameworks, three attention mechanisms, and Subsampling augmentation technique. The source code is available at https://github.com/dazhangyu123/AEM.

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

We introduce novel variants of momentum by incorporating the variance of the stochastic loss function. The variance characterizes the confidence or uncertainty of the local features of the averaged loss surface across the i.i.d. subsets of the training data defined by the mini-batches. We show two applications of the gradient of the variance of the loss function. First, as a bias to the conventional momentum update to encourage conformity of the local features of the loss function (e.g. local minima) across mini-batches to improve generalization and the cumulative training progress made per epoch. Second, as an alternative direction for "exploration" in the parameter space, especially, for non-convex objectives, that exploits both the optimistic and pessimistic views of the loss function in the face of uncertainty. We also introduce a novel data-driven stochastic regularization technique through the parameter update rule that is model-agnostic and compatible with arbitrary architectures. We further establish connections to probability distributions over loss functions and the REINFORCE policy gradient update with baseline in RL. Finally, we incorporate the new variants of momentum proposed into Adam, and empirically show that our methods improve the rate of convergence of training based on our experiments on the MNIST and CIFAR-10 datasets.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

Large language models (LLMs) are commonly aligned with human preferences using reinforcement learning from human feedback (RLHF). In this method, LLM policies are generally optimized through reward maximization with Kullback-Leibler (KL) divergence regularization of the reference policy. However, KL and its f-divergence variants only compare token probabilities at identical indices, failing to capture semantic similarity. We propose Wasserstein Policy Regularization (WPR), a semantic-aware regularization for the RLHF framework based on the entropy-regularized Wasserstein distance, which incorporates the geometry of the token space. The dual formulation of the distance expresses the regularization as penalty terms applied to the reward via optimal dual variables, which yield a tractable objective compatible with standard RL algorithms. Empirically, our method outperforms KL- and f-divergence-based baselines, demonstrating the benefits of semantic-aware policy distances for alignment. Our code is available at https://github.com/aailab-kaist/WPR.

Deep neural networks are often seen as different from other model classes by defying conventional notions of generalization. Popular examples of anomalous generalization behaviour include benign overfitting, double descent, and the success of overparametrization. We argue that these phenomena are not distinct to neural networks, or particularly mysterious. Moreover, this generalization behaviour can be intuitively understood, and rigorously characterized, using long-standing generalization frameworks such as PAC-Bayes and countable hypothesis bounds. We present soft inductive biases as a key unifying principle in explaining these phenomena: rather than restricting the hypothesis space to avoid overfitting, embrace a flexible hypothesis space, with a soft preference for simpler solutions that are consistent with the data. This principle can be encoded in many model classes, and thus deep learning is not as mysterious or different from other model classes as it might seem. However, we also highlight how deep learning is relatively distinct in other ways, such as its ability for representation learning, phenomena such as mode connectivity, and its relative universality.

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation t by striking a trade-off between a compression term I(x;t) and a prediction term I(y;t), where I(cdot;cdot) refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck.

Large language models (LLMs) may memorize sensitive or copyrighted content, raising privacy and legal concerns. Due to the high cost of retraining from scratch, researchers attempt to employ machine unlearning to remove specific content from LLMs while preserving the overall performance. In this paper, we discuss several issues in machine unlearning for LLMs and provide our insights on possible approaches. To address the issue of inadequate evaluation of model outputs after unlearning, we introduce three additional metrics to evaluate token diversity, sentence semantics, and factual correctness. We then categorize unlearning methods into untargeted and targeted, and discuss their issues respectively. Specifically, the behavior that untargeted unlearning attempts to approximate is unpredictable and may involve hallucinations, and existing regularization is insufficient for targeted unlearning. To alleviate these issues, we propose using the objective of maximizing entropy (ME) for untargeted unlearning and incorporate answer preservation (AP) loss as regularization for targeted unlearning. Experimental results across three scenarios, i.e., fictitious unlearning, continual unlearning, and real-world unlearning, demonstrate the effectiveness of our approaches. The code is available at https://github.com/sail-sg/closer-look-LLM-unlearning.

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive with the state of the art, our method significantly reduces time and memory complexity for self-supervised training, making it implementable for very large embedding dimensions on existing devices and more easily adjustable than previous methods to settings with limited resources. Our work follows the major paradigm where the model learns to be invariant to some predefined image transformations (cropping, blurring, color jittering, etc.), while avoiding a degenerate solution by regularizing the embedding distribution. Our particular contribution is to propose a loss family promoting the embedding distribution to be close to the uniform distribution on the hypersphere, with respect to the maximum mean discrepancy pseudometric. We demonstrate that this family encompasses several regularizers of former methods, including uniformity-based and information-maximization methods, which are variants of our flexible regularization loss with different kernels. Beyond its practical consequences for state-of-the-art self-supervised learning with limited resources, the proposed generic regularization approach opens perspectives to leverage more widely the literature on kernel methods in order to improve self-supervised learning methods.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.