Daily Papers

We decompose the evidence lower bound to show the existence of a term measuring the total correlation between latent variables. We use this to motivate our beta-TCVAE (Total Correlation Variational Autoencoder), a refinement of the state-of-the-art beta-VAE objective for learning disentangled representations, requiring no additional hyperparameters during training. We further propose a principled classifier-free measure of disentanglement called the mutual information gap (MIG). We perform extensive quantitative and qualitative experiments, in both restricted and non-restricted settings, and show a strong relation between total correlation and disentanglement, when the latent variables model is trained using our framework.

Controllable music generation with deep generative models has become increasingly reliant on disentanglement learning techniques. However, current disentanglement metrics, such as mutual information gap (MIG), are often inadequate and misleading when used for evaluating latent representations in the presence of interdependent semantic attributes often encountered in real-world music datasets. In this work, we propose a dependency-aware information metric as a drop-in replacement for MIG that accounts for the inherent relationship between semantic attributes.

Mutual Information (MI) is a fundamental metric for quantifying dependency between two random variables. When we can access only the samples, but not the underlying distribution functions, we can evaluate MI using sample-based estimators. Assessment of such MI estimators, however, has almost always relied on analytical datasets including Gaussian multivariates. Such datasets allow analytical calculations of the true MI values, but they are limited in that they do not reflect the complexities of real-world datasets. This study introduces a comprehensive benchmark suite for evaluating neural MI estimators on unstructured datasets, specifically focusing on images and texts. By leveraging same-class sampling for positive pairing and introducing a binary symmetric channel trick, we show that we can accurately manipulate true MI values of real-world datasets. Using the benchmark suite, we investigate seven challenging scenarios, shedding light on the reliability of neural MI estimators for unstructured datasets.

Mutual information (MI) is a fundamental measure of statistical dependence between two variables, yet accurate estimation from finite data remains notoriously difficult. No estimator is universally reliable, and common approaches fail in the high-dimensional, undersampled regimes typical of modern experiments. Recent machine learning-based estimators show promise, but their accuracy depends sensitively on dataset size, structure, and hyperparameters, with no accepted tests to detect failures. We close these gaps through a systematic evaluation of classical and neural MI estimators across standard benchmarks and new synthetic datasets tailored to challenging high-dimensional, undersampled regimes. We contribute: (i) a practical protocol for reliable MI estimation with explicit checks for statistical consistency; (ii) confidence intervals (error bars around estimates) that existing neural MI estimator do not provide; and (iii) a new class of probabilistic critics designed for high-dimensional, high-information settings. We demonstrate the effectiveness of our protocol with computational experiments, showing that it consistently matches or surpasses existing methods while uniquely quantifying its own reliability. We show that reliable MI estimation is sometimes achievable even in severely undersampled, high-dimensional datasets, provided they admit accurate low-dimensional representations. This broadens the scope of applicability of neural MI estimators and clarifies when such estimators can be trusted.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

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

Variational Autoencoders (VAEs) frequently suffer from posterior collapse, a failure mode in which the approximate posterior converges to the prior, rendering the latent code uninformative. Despite extensive research, a unified account of why collapse occurs has remained an open question. We identify and formalize two logically independent but coupled causes. Gradient imbalance occurs when the decoder's reconstruction signal vanishes faster than the KL regularization pressure as the posterior widens. Information gap occurs when the stochastic sampling step discards a substantial fraction of the encoder's computed representation, attenuating decoder sensitivity and making collapse inexpensive. Both causes share the same collapse trajectory, and we show that the information gap is algebraically equivalent to mismatch between the aggregate posterior and the prior, unifying two pathologies. Subsequently, we introduce λ-VAE, which resolves both causes through a single modification to the reparameterization step: the sampling noise is scaled by per-dimension exponent, while the KL penalty retains the original posterior variance. This asymmetry shifts the stable training attractor away from the degenerate collapsed state, driving all latent dimensions toward the same equilibrium -- a mechanism we term variance equalization. A closed-form optimal exponent per dimension follows from a net information gain objective, with a single hyperparameter controlling the reconstruction-generation tradeoff. We validate on standard benchmarks (Binary MNIST, Binary Omniglot, CIFAR-10, CelebA-64), showing consistent reductions in collapsed dimensions, information capacity gains of up to 2.8times nats, and reconstruction quality improvements of up to +0.33 BPD.

Estimating mutual information (MI) is a fundamental task in data science and machine learning. Existing estimators mainly rely on either highly flexible models (e.g., neural networks), which require large amounts of data, or overly simplified models (e.g., Gaussian copula), which fail to capture complex distributions. Drawing upon recent vector copula theory, we propose a principled interpolation between these two extremes to achieve a better trade-off between complexity and capacity. Experiments on state-of-the-art synthetic benchmarks and real-world data with diverse modalities demonstrate the advantages of the proposed estimator.

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 study community recovery in the sparse symmetric stochastic block model with q communities, average degree d and signal strength λ through statistical decision theory and Fisher information, and obtain three characterizations of the Kesten-Stigum threshold dλ^2=1 and of the information-computation gap below it. First, on each community-size profile the minimax risk of any class of rules closed under averaging and vertex relabeling equals its Bayes risk under the uniform prior; the posterior mean is the unique Bayes rule and is admissible, and the Bayes risk of degree-D polynomial rules is the trivial risk times 1-Corr_D^2. Combined with known low-degree and information-theoretic results, this gives the gap as a worst-case statement: for qge 5 there is a window below the threshold in which no low-degree rule beats the trivial risk asymptotically, while an exponential-time rule does on a set of labelings of probability 1-o(1). Second, the Fisher information about λ carried by cycle counts is a series with terms of order k(dλ^2)^k, convergent exactly when dλ^2<1; below the threshold the relative error of every unbiased cycle-based estimator of λ^k stays above an explicit constant, and every cycle-count test has success probability bounded below one. Third, the derivative of belief propagation at its uninformative fixed point multiplies a random perturbation by |λ|d per iteration, and one EM step taken there leaves λ unchanged. A signal-to-noise computation recovers the condition dλ^{1/χ}>1 of Chin et al. for q=n^χ communities and identifies personalized PageRank as a walk count with suboptimal weights. Experiments on networks with up to 3times 10^5 vertices confirm the threshold for q=2, the hard window for q=5, and the many-community scaling.

Diffusion models have demonstrated remarkable capabilities in generating high-quality samples and enhancing performance across diverse domains through Classifier-Free Guidance (CFG). However, the quality of generated samples is highly sensitive to the selection of the guidance weight. In this work, we identify a critical ``training-inference gap'' and we argue that it is the presence of this gap that undermines the performance of conditional generation and renders outputs highly sensitive to the guidance weight. We quantify this gap by measuring the accumulated error during the inference stage and establish a correlation between the selection of guidance weight and minimizing this gap. Furthermore, to mitigate this gap, we propose DiffIER, an optimization-based method for high-quality generation. We demonstrate that the accumulated error can be effectively reduced by an iterative error minimization at each step during inference. By introducing this novel plug-and-play optimization framework, we enable the optimization of errors at every single inference step and enhance generation quality. Empirical results demonstrate that our proposed method outperforms baseline approaches in conditional generation tasks. Furthermore, the method achieves consistent success in text-to-image generation, image super-resolution, and text-to-speech generation, underscoring its versatility and potential for broad applications in future research.

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

Loss Given Default (LGD) modeling faces a fundamental data quality constraint: 90% of available training data consists of proxy estimates based on pre-distress balance sheets rather than actual recovery outcomes from completed bankruptcy proceedings. We demonstrate that this mixture-contaminated training structure causes systematic failure of recursive partitioning methods, with Random Forest achieving negative r-squared (-0.664, worse than predicting the mean) on held-out test data. Information-theoretic approaches based on Shannon entropy and mutual information provide superior generalization, achieving r-squared of 0.191 and RMSE of 0.284 on 1,218 corporate bankruptcies (1980-2023). Analysis reveals that leverage-based features contain 1.510 bits of mutual information while size effects contribute only 0.086 bits, contradicting regulatory assumptions about scale-dependent recovery. These results establish practical guidance for financial institutions deploying LGD models under Basel III requirements when representative outcome data is unavailable at sufficient scale. The findings generalize to medical outcomes research, climate forecasting, and technology reliability-domains where extended observation periods create unavoidable mixture structure in training data.

The pursuit of a universal AI-generated image (AIGI) detector often relies on aggregating data from numerous generators to improve generalization. However, this paper identifies a paradoxical phenomenon we term the Benefit then Conflict dilemma, where detector performance stagnates and eventually degrades as source diversity expands. Our systematic analysis, diagnoses this failure by identifying two core issues: severe data-level heterogeneity, which causes the feature distributions of real and synthetic images to increasingly overlap, and a critical model-level bottleneck from fixed, pretrained encoders that cannot adapt to the rising complexity. To address these challenges, we propose Generator-Aware Prototype Learning (GAPL), a framework that constrain representation with a structured learning paradigm. GAPL learns a compact set of canonical forgery prototypes to create a unified, low-variance feature space, effectively countering data heterogeneity.To resolve the model bottleneck, it employs a two-stage training scheme with Low-Rank Adaptation, enhancing its discriminative power while preserving valuable pretrained knowledge. This approach establishes a more robust and generalizable decision boundary. Through extensive experiments, we demonstrate that GAPL achieves state-of-the-art performance, showing superior detection accuracy across a wide variety of GAN and diffusion-based generators. Code is available at https://github.com/UltraCapture/GAPL

We investigate the sets of joint probability distributions that maximize the average multi-information over a collection of margins. These functionals serve as proxies for maximizing the multi-information of a set of variables or the mutual information of two subsets of variables, at a lower computation and estimation complexity. We describe the maximizers and their relations to the maximizers of the multi-information and the mutual information.

Markov categories are a novel framework to describe and treat problems in probability and information theory. In this work we combine the categorical formalism with the traditional quantitative notions of entropy, mutual information, and data processing inequalities. We show that several quantitative aspects of information theory can be captured by an enriched version of Markov categories, where the spaces of morphisms are equipped with a divergence or even a metric. As it is customary in information theory, mutual information can be defined as a measure of how far a joint source is from displaying independence of its components. More strikingly, Markov categories give a notion of determinism for sources and channels, and we can define entropy exactly by measuring how far a source or channel is from being deterministic. This recovers Shannon and R\'enyi entropies, as well as the Gini-Simpson index used in ecology to quantify diversity, and it can be used to give a conceptual definition of generalized entropy.

Recent advances in maximizing mutual information (MI) between the source and target have demonstrated its effectiveness in text generation. However, previous works paid little attention to modeling the backward network of MI (i.e., dependency from the target to the source), which is crucial to the tightness of the variational information maximization lower bound. In this paper, we propose Adversarial Mutual Information (AMI): a text generation framework which is formed as a novel saddle point (min-max) optimization aiming to identify joint interactions between the source and target. Within this framework, the forward and backward networks are able to iteratively promote or demote each other's generated instances by comparing the real and synthetic data distributions. We also develop a latent noise sampling strategy that leverages random variations at the high-level semantic space to enhance the long term dependency in the generation process. Extensive experiments based on different text generation tasks demonstrate that the proposed AMI framework can significantly outperform several strong baselines, and we also show that AMI has potential to lead to a tighter lower bound of maximum mutual information for the variational information maximization problem.

Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.

Mutual information maximization has emerged as a powerful learning objective for unsupervised representation learning obtaining state-of-the-art performance in applications such as object recognition, speech recognition, and reinforcement learning. However, such approaches are fundamentally limited since a tight lower bound of mutual information requires sample size exponential in the mutual information. This limits the applicability of these approaches for prediction tasks with high mutual information, such as in video understanding or reinforcement learning. In these settings, such techniques are prone to overfit, both in theory and in practice, and capture only a few of the relevant factors of variation. This leads to incomplete representations that are not optimal for downstream tasks. In this work, we empirically demonstrate that mutual information-based representation learning approaches do fail to learn complete representations on a number of designed and real-world tasks. To mitigate these problems we introduce the Wasserstein dependency measure, which learns more complete representations by using the Wasserstein distance instead of the KL divergence in the mutual information estimator. We show that a practical approximation to this theoretically motivated solution, constructed using Lipschitz constraint techniques from the GAN literature, achieves substantially improved results on tasks where incomplete representations are a major challenge.

We introduce the Information-Estimation Metric (IEM), a novel form of distance function derived from an underlying continuous probability density over a domain of signals. The IEM is rooted in a fundamental relationship between information theory and estimation theory, which links the log-probability of a signal with the errors of an optimal denoiser, applied to noisy observations of the signal. In particular, the IEM between a pair of signals is obtained by comparing their denoising error vectors over a range of noise amplitudes. Geometrically, this amounts to comparing the score vector fields of the blurred density around the signals over a range of blur levels. We prove that the IEM is a valid global distance metric and derive a closed-form expression for its local second-order approximation, which yields a Riemannian metric. For Gaussian-distributed signals, the IEM coincides with the Mahalanobis distance. But for more complex distributions, it adapts, both locally and globally, to the geometry of the distribution. In practice, the IEM can be computed using a learned denoiser (analogous to generative diffusion models) and solving a one-dimensional integral. To demonstrate the value of our framework, we learn an IEM on the ImageNet database. Experiments show that this IEM is competitive with or outperforms state-of-the-art supervised image quality metrics in predicting human perceptual judgments.

Deep learning-based denoising models have been widely employed in vision tasks, functioning as filters to eliminate noise while retaining crucial semantic information. Additionally, they play a vital role in defending against adversarial perturbations that threaten downstream tasks. However, these models can be intrinsically susceptible to adversarial attacks due to their dependence on specific noise assumptions. Existing attacks on denoising models mainly aim at deteriorating visual clarity while neglecting semantic manipulation, rendering them either easily detectable or limited in effectiveness. In this paper, we propose Mutual Information-Guided Attack (MIGA), the first method designed to directly attack deep denoising models by strategically disrupting their ability to preserve semantic content via adversarial perturbations. By minimizing the mutual information between the original and denoised images, a measure of semantic similarity. MIGA forces the denoiser to produce perceptually clean yet semantically altered outputs. While these images appear visually plausible, they encode systematically distorted semantics, revealing a fundamental vulnerability in denoising models. These distortions persist in denoised outputs and can be quantitatively assessed through downstream task performance. We propose new evaluation metrics and systematically assess MIGA on four denoising models across five datasets, demonstrating its consistent effectiveness in disrupting semantic fidelity. Our findings suggest that denoising models are not always robust and can introduce security risks in real-world applications.

Large Language Models (LLMs) have demonstrated exceptional capabilities across diverse tasks. However, their deployment in long context scenarios remains hindered by computational inefficiency and information redundancy. Context compression methods address these challenges by significantly reducing input length and eliminating redundancy. We propose COMI, a coarse-to-fine adaptive context compression framework that jointly optimizes for semantic relevance and diversity under high compression rates. We introduce Marginal Information Gain (MIG), a metric defined as the relevance of a unit to the input query minus its semantic redundancy with other units, guiding the compression process to prioritize information that is both relevant and low redundant. The framework operates in two stages: (1) Coarse-Grained Group Reallocation, where the context is partitioned into groups and dynamically assigned compression rates based on inter-group MIG, ensuring compression budgets align with information value distribution; and (2) Fine-Grained Token Merging, where tokens within each group are fused via an intra-group MIG-based weighting mechanism, thereby preserving key semantics while avoiding the accumulation of redundancy. Extensive experiments across question-answering (e.g., NaturalQuestions, 2WikiMQA, HotpotQA and NarrativeQA), summarization (e.g., MultiNews) with various backbones (e.g., LLaMA-2-7B, Qwen2-7B) show that COMI outperforms existing baselines by a large margin, e.g., approximately 25-point Exact Match (EM) improvement under 32x compression constraint with Qwen2-7B on NaturalQuestions.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

Mutual information (MI) estimation is a central problem in machine learning and statistics; however, existing benchmarks typically evaluate estimators on simplified, low-dimensional distributions, leaving their performance on complex, realistic data largely unexplored. We address this gap with a comprehensive benchmarking framework grounded in a unified copula-theoretic perspective that subsumes existing benchmarks as special cases. Within this framework, we propose two complementary families of tests: a copula-first family that systematically varies ground-truth MI, dimensionality, and marginal complexity using synthetic and flow-based transformations; and a marginals-first family that couples real-world image data with controlled dependency structures, extending the classic same-class-pairing paradigm. We use this suite to extensively evaluate three classes of estimators: non-parametric, discriminative, and generative. Contrary to prevailing assumptions, our results indicate that there is no universal winner: each category can systematically outperform all other estimators under specific setups. By analyzing these cases, we identify fundamental estimation barriers and propose new tests that more effectively stress these specific limitations. We share the open source code at https://github.com/VanessB/mutinfo.

Denoising diffusion models enable conditional generation and density modeling of complex relationships like images and text. However, the nature of the learned relationships is opaque making it difficult to understand precisely what relationships between words and parts of an image are captured, or to predict the effect of an intervention. We illuminate the fine-grained relationships learned by diffusion models by noticing a precise relationship between diffusion and information decomposition. Exact expressions for mutual information and conditional mutual information can be written in terms of the denoising model. Furthermore, pointwise estimates can be easily estimated as well, allowing us to ask questions about the relationships between specific images and captions. Decomposing information even further to understand which variables in a high-dimensional space carry information is a long-standing problem. For diffusion models, we show that a natural non-negative decomposition of mutual information emerges, allowing us to quantify informative relationships between words and pixels in an image. We exploit these new relations to measure the compositional understanding of diffusion models, to do unsupervised localization of objects in images, and to measure effects when selectively editing images through prompt interventions.

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

Mutual learning is an ensemble training strategy to improve generalization by transferring individual knowledge to each other while simultaneously training multiple models. In this work, we propose an effective mutual learning method for deep metric learning, called Diversified Mutual Metric Learning, which enhances embedding models with diversified mutual learning. We transfer relational knowledge for deep metric learning by leveraging three kinds of diversities in mutual learning: (1) model diversity from different initializations of models, (2) temporal diversity from different frequencies of parameter update, and (3) view diversity from different augmentations of inputs. Our method is particularly adequate for inductive transfer learning at the lack of large-scale data, where the embedding model is initialized with a pretrained model and then fine-tuned on a target dataset. Extensive experiments show that our method significantly improves individual models as well as their ensemble. Finally, the proposed method with a conventional triplet loss achieves the state-of-the-art performance of Recall@1 on standard datasets: 69.9 on CUB-200-2011 and 89.1 on CARS-196.

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.

The Information Bottleneck (IB) principle offers an information-theoretic framework for analyzing the training process of deep neural networks (DNNs). Its essence lies in tracking the dynamics of two mutual information (MI) values: one between the hidden layer and the class label, and the other between the hidden layer and the DNN input. According to the hypothesis put forth by Shwartz-Ziv and Tishby (2017), the training process consists of two distinct phases: fitting and compression. The latter phase is believed to account for the good generalization performance exhibited by DNNs. Due to the challenging nature of estimating MI between high-dimensional random vectors, this hypothesis has only been verified for toy NNs or specific types of NNs, such as quantized NNs and dropout NNs. In this paper, we introduce a comprehensive framework for conducting IB analysis of general NNs. Our approach leverages the stochastic NN method proposed by Goldfeld et al. (2019) and incorporates a compression step to overcome the obstacles associated with high dimensionality. In other words, we estimate the MI between the compressed representations of high-dimensional random vectors. The proposed method is supported by both theoretical and practical justifications. Notably, we demonstrate the accuracy of our estimator through synthetic experiments featuring predefined MI values. Finally, we perform IB analysis on a close-to-real-scale convolutional DNN, which reveals new features of the MI dynamics.

Learning representations that transfer well to diverse downstream tasks remains a central challenge in representation learning. Existing paradigms -- contrastive learning, self-supervised masking, and denoising auto-encoders -- balance this challenge with different trade-offs. We introduce the {contrastive Mutual Information Machine} (cMIM), a probabilistic framework that extends the Mutual Information Machine (MIM) with a contrastive objective. While MIM maximizes mutual information between inputs and latents and promotes clustering of codes, it falls short on discriminative tasks. cMIM addresses this gap by imposing global discriminative structure while retaining MIM's generative fidelity. Our contributions are threefold. First, we propose cMIM, a contrastive extension of MIM that removes the need for positive data augmentation and is substantially less sensitive to batch size than InfoNCE. Second, we introduce {informative embeddings}, a general technique for extracting enriched features from encoder-decoder models that boosts discriminative performance without additional training and applies broadly beyond MIM. Third, we provide empirical evidence across vision and molecular benchmarks showing that cMIM outperforms MIM and InfoNCE on classification and regression tasks while preserving competitive reconstruction quality. These results position cMIM as a unified framework for representation learning, advancing the goal of models that serve both discriminative and generative applications effectively.

Estimating mutual information (MI) from samples is a central objective in a variety of scientific fields. Modern neural estimators are accurate in the large-data regime, but they fall short when data is scarce, and each must be fit anew for every distribution under study. Current estimators are moreover tied to specific data types. These constraints limit their adoption in many applications where per-distribution training is impractical and sample sizes are small. We present ALICE, a foundation model that removes per-distribution training, while achieving competitive estimation accuracy. Trained exclusively on a broad family of synthetic distributions, ALICE acts as an in-context estimator of rectified-flow velocity fields: conditioned on samples of an unseen distribution, it estimates that distribution's velocity field without any explicit training. MI is then obtained through a fixed identity that integrates the squared difference between the joint and conditional fields. We validate ALICE on a standard, challenging benchmark and apply it in three domains, biology, genetics, and neuroscience, whose data the model has never seen. For the first time, we show that a single model closes the gap with neural estimators trained separately for each distribution, while natively supporting different data dimensionality and sample cardinality, enabling zero-shot MI analysis across scientific domains.

Clinical routine and retrospective cohorts commonly include multi-parametric Magnetic Resonance Imaging; however, they are mostly acquired in different anisotropic 2D views due to signal-to-noise-ratio and scan-time constraints. Thus acquired views suffer from poor out-of-plane resolution and affect downstream volumetric image analysis that typically requires isotropic 3D scans. Combining different views of multi-contrast scans into high-resolution isotropic 3D scans is challenging due to the lack of a large training cohort, which calls for a subject-specific framework. This work proposes a novel solution to this problem leveraging Implicit Neural Representations (INR). Our proposed INR jointly learns two different contrasts of complementary views in a continuous spatial function and benefits from exchanging anatomical information between them. Trained within minutes on a single commodity GPU, our model provides realistic super-resolution across different pairs of contrasts in our experiments with three datasets. Using Mutual Information (MI) as a metric, we find that our model converges to an optimum MI amongst sequences, achieving anatomically faithful reconstruction. Code is available at: https://github.com/jqmcginnis/multi_contrast_inr/

Low-Rank Adaptation (LoRA) has become a popular solution for fine-tuning large language models (LLMs) in federated settings, dramatically reducing update costs by introducing trainable low-rank matrices. However, when integrated with frameworks like FedIT, LoRA introduces a critical vulnerability: clients submit A and B matrices separately, while only their product AB determines the model update, yet this composite is never directly verified. We propose Gradient Assembly Poisoning (GAP), a novel attack that exploits this blind spot by crafting individually benign A and B matrices whose product yields malicious updates. GAP operates without access to training data or inter-client coordination and remains undetected by standard anomaly detectors. We identify four systemic vulnerabilities in LoRA-based federated systems and validate GAP across LLaMA, ChatGLM, and GPT-2. GAP consistently induces degraded or biased outputs while preserving surface fluency, reducing BLEU by up to 14.5\%, increasing factual and grammatical errors by over 800\%, and maintaining 92.6\% long-form response length. These results reveal a new class of stealthy, persistent threats in distributed LoRA fine-tuning.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose Domain-specific Risk Minimization (DRM). During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

We propose a fully data-driven approach to designing mutual information (MI) estimators. Since any MI estimator is a function of the observed sample from two random variables, we parameterize this function with a neural network (MIST) and train it end-to-end to predict MI values. Training is performed on a large meta-dataset of 625,000 synthetic joint distributions with known ground-truth MI. To handle variable sample sizes and dimensions, we employ a two-dimensional attention scheme ensuring permutation invariance across input samples. To quantify uncertainty, we optimize a quantile regression loss, enabling the estimator to approximate the sampling distribution of MI rather than return a single point estimate. This research program departs from prior work by taking a fully empirical route, trading universal theoretical guarantees for flexibility and efficiency. Empirically, the learned estimators largely outperform classical baselines across sample sizes and dimensions, including on joint distributions unseen during training. The resulting quantile-based intervals are well-calibrated and more reliable than bootstrap-based confidence intervals, while inference is orders of magnitude faster than existing neural baselines. Beyond immediate empirical gains, this framework yields trainable, fully differentiable estimators that can be embedded into larger learning pipelines. Moreover, exploiting MI's invariance to invertible transformations, meta-datasets can be adapted to arbitrary data modalities via normalizing flows, enabling flexible training for diverse target meta-distributions.

Precise environmental perception is critical for the reliability of autonomous driving systems. While collaborative perception mitigates the limitations of single-agent perception through information sharing, it encounters a fundamental communication-performance trade-off. Existing communication-efficient approaches typically assume MB-level data transmission per collaboration, which may fail due to practical network constraints. To address these issues, we propose InfoCom, an information-aware framework establishing the pioneering theoretical foundation for communication-efficient collaborative perception via extended Information Bottleneck principles. Departing from mainstream feature manipulation, InfoCom introduces a novel information purification paradigm that theoretically optimizes the extraction of minimal sufficient task-critical information under Information Bottleneck constraints. Its core innovations include: i) An Information-Aware Encoding condensing features into minimal messages while preserving perception-relevant information; ii) A Sparse Mask Generation identifying spatial cues with negligible communication cost; and iii) A Multi-Scale Decoding that progressively recovers perceptual information through mask-guided mechanisms rather than simple feature reconstruction. Comprehensive experiments across multiple datasets demonstrate that InfoCom achieves near-lossless perception while reducing communication overhead from megabyte to kilobyte-scale, representing 440-fold and 90-fold reductions per agent compared to Where2comm and ERMVP, respectively.

Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first H-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set H used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit H-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.

Large language models are beginning to show steganographic capabilities. Such capabilities could allow misaligned models to evade oversight mechanisms. Yet principled methods to detect and quantify such behaviours are lacking. Classical definitions of steganography, and detection methods based on them, require a known reference distribution of non-steganographic signals. For the case of steganographic reasoning in LLMs, knowing such a reference distribution is not feasible; this renders these approaches inapplicable. We propose an alternative, decision-theoretic view of steganography. Our central insight is that steganography creates an asymmetry in usable information between agents who can and cannot decode the hidden content (present within a steganographic signal), and this otherwise latent asymmetry can be inferred from the agents' observable actions. To formalise this perspective, we introduce generalised V-information: a utilitarian framework for measuring the amount of usable information within some input. We use this to define the steganographic gap -- a measure that quantifies steganography by comparing the downstream utility of the steganographic signal to agents that can and cannot decode the hidden content. We empirically validate our formalism, and show that it can be used to detect, quantify, and mitigate steganographic reasoning in LLMs.

Representation learning on text-attributed graphs (TAGs) integrates structural connectivity with rich textual semantics, enabling applications in diverse domains. Current methods largely rely on contrastive learning to maximize cross-modal similarity, assuming tighter coupling between graph and text representations improves transfer performance. However, our empirical analysis reveals that both natural gap expansion and forced gap reduction result in performance degradation by disrupting pre-trained knowledge structures and impairing generalization. This arises from the geometric incompatibility between encoders, where graph encoders capture topological patterns, while text encoders capture semantic structures. Over-alignment compresses these distinct spaces into shared subspaces, causing structure collapse that diminishes both topological reasoning and semantic understanding. We propose LLM4GTA, a gap-aware alignment framework that preserves representation gaps as geometric necessities for maintaining modality-specific knowledge and improving transfer performance. LLM4GTA includes an adaptive gap preservation module to prevent over-alignment by monitoring similarity evolution and an intra-modal compensation mechanism that boosts discriminative power using auxiliary classifiers in graph space. Extensive experiments show significant improvements over existing methods in zero-shot and few-shot scenarios.

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is still on primary stage. In this paper, we move towards this goal from the perspective of generalization. To be specific, we first establish high probability bounds of generalization gap and gradients in transductive learning with consideration of stochastic optimization. After that, we provide high probability bounds of generalization gap for popular GNNs. The theoretical results reveal the architecture specific factors affecting the generalization gap. Experimental results on benchmark datasets show the consistency between theoretical results and empirical evidence. Our results provide new insights in understanding the generalization of GNNs.

Can our brain signals faithfully reflect the original visual stimuli, even including high-frequency details? Although human perceptual and cognitive capacities enable us to process and remember visual information, these abilities are constrained by several factors, such as limited attentional resources and the finite capacity of visual memory. When visual stimuli are processed by human visual system into brain signals, some information is inevitably lost, leading to a discrepancy known as the System GAP. Additionally, perceptual and cognitive dynamics, along with technical noise in signal acquisition, degrade the fidelity of brain signals relative to the visual stimuli, known as the Random GAP. When encoded brain representations are directly aligned with the corresponding pretrained image features, the System GAP and Random GAP between paired data challenge the model, requiring it to bridge these gaps. However, in the context of limited paired data, these gaps are difficult for the model to learn, leading to overfitting and poor generalization to new data. To address these GAPs, we propose a simple yet effective approach called the Uncertainty-aware Blur Prior (UBP). It estimates the uncertainty within the paired data, reflecting the mismatch between brain signals and visual stimuli. Based on this uncertainty, UBP dynamically blurs the high-frequency details of the original images, reducing the impact of the mismatch and improving alignment. Our method achieves a top-1 accuracy of 50.9\% and a top-5 accuracy of 79.7\% on the zero-shot brain-to-image retrieval task, surpassing previous state-of-the-art methods by margins of 13.7\% and 9.8\%, respectively. Code is available at https://github.com/HaitaoWuTJU/Uncertainty-aware-Blur-Prior{GitHub}.

We prove theoretically that generalization improves not only through data scaling but also by compressing internal representations. To operationalize this insight, we introduce the Information Bottleneck Language Modeling (IBLM) objective, which reframes language modeling as a constrained optimization problem: minimizing representation entropy subject to optimal prediction performance. Empirically, we observe an emergent memorization-compression cycle during LLM pretraining, evidenced by oscillation positive/negative gradient alignment between cross-entropy and Matrix-Based Entropy (MBE), a measure of representation entropy. This pattern closely mirrors the predictive-compressive trade-off prescribed by IBLM and also parallels the biological alternation between awake learning and sleep consolidation. Motivated by this observation, we propose Gated Phase Transition (GAPT), a training algorithm that adaptively switches between memorization and compression phases. When applied to GPT-2 pretraining on FineWeb dataset, GAPT reduces MBE by 50% and improves cross-entropy by 4.8%. GAPT improves OOD generalizatino by 35% in a pretraining task on arithmetic multiplication. In a setting designed to simulate catastrophic forgetting, GAPT reduces interference by compressing and separating representations, achieving a 97% improvement in separation - paralleling the functional role of sleep consolidation.

Dense retrieval powers retrieval-augmented generation, semantic search, and question answering, yet the theoretical basis for choosing between shared and dual query-document projections remains unclear. We introduce a bias-variance theory for low-rank bilinear scoring. Shared projections induce positive-semidefinite operators, whereas dual projections realize arbitrary low-rank operators. We derive their exact approximation gap and prove a local Gaussian boundary: dual has lower risk exactly when squared directional signal exceeds the estimation cost of its additional degrees of freedom. This boundary motivates the Cross-fitted Asymmetry Risk Selector (CARS), which estimates reproducible directional signal from training pairs; its Gaussian counterpart admits exact selection-power and regret formulas. Guided by the theory, we run retrieval experiments across multiple datasets and embedding models. The mean Dual-minus-Shared NDCG@10 advantage more than doubles as query rotation increases from 0 degrees to 90 degrees. In the rank-sample-size grids, Shared wins 13 of 16 cells at n=32, whereas Dual wins all 32 cells at n=1024 and n=2048. Consistent with this shift, all 168 comparable operator-risk curves move toward Dual as training data grow. Compared to the two fixed-geometry baselines, CARS reduces held-out regret by 49-96% and achieves 90.1% mean geometry-selection accuracy.

Conventional communication systems, including both separation-based coding and AI-driven joint source-channel coding (JSCC), are largely guided by Shannon's rate-distortion theory. However, relying on generic distortion metrics fails to capture complex human visual perception, often resulting in blurred or unrealistic reconstructions. In this paper, we propose Joint Source-Channel-Generation Coding (JSCGC), a novel paradigm that shifts the focus from deterministic reconstruction to probabilistic generation. JSCGC leverages a generative model at the receiver as a generator rather than a conventional decoder to parameterize the data distribution, enabling direct maximization of mutual information under channel constraints while controlling stochastic sampling to produce outputs residing on the authentic data manifold with high fidelity. We further derive a theoretical lower bound on the maximum semantic inconsistency with given transmitted mutual information, elucidating the fundamental limits of communication in controlling the generative process. Extensive experiments on image transmission demonstrate that JSCGC substantially improves perceptual quality and semantic fidelity, significantly outperforming conventional distortion-oriented JSCC methods.

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.

This work presents an information-theoretic perspective to group fairness trade-offs in federated learning (FL) with respect to sensitive attributes, such as gender, race, etc. Existing works often focus on either global fairness (overall disparity of the model across all clients) or local fairness (disparity of the model at each client), without always considering their trade-offs. There is a lack of understanding regarding the interplay between global and local fairness in FL, particularly under data heterogeneity, and if and when one implies the other. To address this gap, we leverage a body of work in information theory called partial information decomposition (PID), which first identifies three sources of unfairness in FL, namely, Unique Disparity, Redundant Disparity, and Masked Disparity. We demonstrate how these three disparities contribute to global and local fairness using canonical examples. This decomposition helps us derive fundamental limits on the trade-off between global and local fairness, highlighting where they agree or disagree. We introduce the Accuracy and Global-Local Fairness Optimality Problem (AGLFOP), a convex optimization that defines the theoretical limits of accuracy and fairness trade-offs, identifying the best possible performance any FL strategy can attain given a dataset and client distribution. We also present experimental results on synthetic datasets and the ADULT dataset to support our theoretical findings.

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.

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

Numerous deep learning algorithms have been inspired by and understood via the notion of information bottleneck, where unnecessary information is (often implicitly) minimized while task-relevant information is maximized. However, a rigorous argument for justifying why it is desirable to control information bottlenecks has been elusive. In this paper, we provide the first rigorous learning theory for justifying the benefit of information bottleneck in deep learning by mathematically relating information bottleneck to generalization errors. Our theory proves that controlling information bottleneck is one way to control generalization errors in deep learning, although it is not the only or necessary way. We investigate the merit of our new mathematical findings with experiments across a range of architectures and learning settings. In many cases, generalization errors are shown to correlate with the degree of information bottleneck: i.e., the amount of the unnecessary information at hidden layers. This paper provides a theoretical foundation for current and future methods through the lens of information bottleneck. Our new generalization bounds scale with the degree of information bottleneck, unlike the previous bounds that scale with the number of parameters, VC dimension, Rademacher complexity, stability or robustness. Our code is publicly available at: https://github.com/xu-ji/information-bottleneck

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

Discovering causal regularities and applying them to build functional systems--the discovery-to-application loop--is a hallmark of general intelligence, yet evaluating this capacity has been hindered by the vast complexity gap between scientific discovery and real-world engineering. We introduce SciCrafter, a Minecraft-based benchmark that operationalizes this loop through parameterized redstone circuit tasks. Agents must ignite lamps in specified patterns (e.g., simultaneously or in timed sequences); scaling target parameters substantially increases construction complexity and required knowledge, forcing genuine discovery rather than reliance on memorized solutions. Evaluating frontier models including GPT-5.2, Gemini-3-Pro, and Claude-Opus-4.5 under a general-purpose code agent scaffold, we find that all plateau at approximately 26% success rate. To diagnose these failures, we decompose the loop into four capacities--knowledge gap identification, experimental discovery, knowledge consolidation, and knowledge application--and design targeted interventions whose marginal contributions serve as proxies for corresponding gaps. Our analysis reveals that although the general knowledge application capability still remains as the biggest gap across all models, for frontier models the knowledge gap identification starts to become a major hurdle--indicating the bottleneck is shifting from solving problems right to raising the right problems for current AI. We release SciCrafter as a diagnostic probe for future research on AI systems that navigate the full discovery-to-application loop.

Stock market prediction has remained an extremely challenging problem for many decades owing to its inherent high volatility and low information noisy ratio. Existing solutions based on machine learning or deep learning demonstrate superior performance by employing a single model trained on the entire stock dataset to generate predictions across all types of stocks. However, due to the significant variations in stock styles and market trends, a single end-to-end model struggles to fully capture the differences in these stylized stock features, leading to relatively inaccurate predictions for all types of stocks. In this paper, we present MIGA, a novel Mixture of Expert with Group Aggregation framework designed to generate specialized predictions for stocks with different styles by dynamically switching between distinct style experts. To promote collaboration among different experts in MIGA, we propose a novel inner group attention architecture, enabling experts within the same group to share information and thereby enhancing the overall performance of all experts. As a result, MIGA significantly outperforms other end-to-end models on three Chinese Stock Index benchmarks including CSI300, CSI500, and CSI1000. Notably, MIGA-Conv reaches 24 % excess annual return on CSI300 benchmark, surpassing the previous state-of-the-art model by 8% absolute. Furthermore, we conduct a comprehensive analysis of mixture of experts for stock market prediction, providing valuable insights for future research.

Embodied systems must make knowledge acquired during one encounter usable in another despite changes in viewpoint, motion, and illumination. Yet aggregate cross-video accuracy conflates failures of local perception with failures to preserve observation identity, establish correspondence, and compose evidence, obscuring whether local video understanding actually transfers. We introduce EgoGears, a complementary single- and multi-video benchmark designed to diagnose this transition. It contains 567 single-video and 1,487 multi-video questions derived from 126 human-collected egocentric recordings covering 39 outdoor routes. Repeated traversals across movement speeds and lighting conditions ground comparisons in shared physical environments; 531 questions require alignment across independent recordings. Single-video questions measure the local visual, spatial, and motion evidence available to a model, while multi-video questions test whether evidence remains bound to the correct observation and can be composed into consistent route relationships. We report 29 single-video and 31 multi-video MLLM configurations across six model families in the main leaderboard. Among the 20 configurations evaluated comparably on both splits, every model performs worse on multi-video questions, with a mean decrease of 22.5 percentage points, and the gap persists when answer format and scoring are held fixed. The gap is not explained simply by additional videos or recording boundaries. The central bottlenecks are observation--evidence binding and ordered route-state tracking. The code and benchmark are publicly available at https://github.com/lei-qi-233/EgoGears.

Recent studies have shown that robustness to adversarial attacks can be transferred across networks. In other words, we can make a weak model more robust with the help of a strong teacher model. We ask if instead of learning from a static teacher, can models "learn together" and "teach each other" to achieve better robustness? In this paper, we study how interactions among models affect robustness via knowledge distillation. We propose mutual adversarial training (MAT), in which multiple models are trained together and share the knowledge of adversarial examples to achieve improved robustness. MAT allows robust models to explore a larger space of adversarial samples, and find more robust feature spaces and decision boundaries. Through extensive experiments on CIFAR-10 and CIFAR-100, we demonstrate that MAT can effectively improve model robustness and outperform state-of-the-art methods under white-box attacks, bringing sim8% accuracy gain to vanilla adversarial training (AT) under PGD-100 attacks. In addition, we show that MAT can also mitigate the robustness trade-off among different perturbation types, bringing as much as 13.1% accuracy gain to AT baselines against the union of l_infty, l_2 and l_1 attacks. These results show the superiority of the proposed method and demonstrate that collaborative learning is an effective strategy for designing robust models.

Membership inference attacks (MIAs) pose a critical privacy threat to fine-tuned large language models (LLMs), especially when models are adapted to domain-specific tasks using sensitive data. While prior black-box MIA techniques rely on confidence scores or token likelihoods, these signals are often entangled with a sample's intrinsic properties - such as content difficulty or rarity - leading to poor generalization and low signal-to-noise ratios. In this paper, we propose ICP-MIA, a novel MIA framework grounded in the theory of training dynamics, particularly the phenomenon of diminishing returns during optimization. We introduce the Optimization Gap as a fundamental signal of membership: at convergence, member samples exhibit minimal remaining loss-reduction potential, while non-members retain significant potential for further optimization. To estimate this gap in a black-box setting, we propose In-Context Probing (ICP), a training-free method that simulates fine-tuning-like behavior via strategically constructed input contexts. We propose two probing strategies: reference-data-based (using semantically similar public samples) and self-perturbation (via masking or generation). Experiments on three tasks and multiple LLMs show that ICP-MIA significantly outperforms prior black-box MIAs, particularly at low false positive rates. We further analyze how reference data alignment, model type, PEFT configurations, and training schedules affect attack effectiveness. Our findings establish ICP-MIA as a practical and theoretically grounded framework for auditing privacy risks in deployed LLMs.

In the latest advancements in multimodal learning, effectively addressing the spatial and semantic losses of visual data after encoding remains a critical challenge. This is because the performance of large multimodal models is positively correlated with the coupling between visual encoders and large language models. Existing approaches often face issues such as vector gaps or semantic disparities, resulting in information loss during the propagation process. To address these issues, we propose MAGE (Multimodal Alignment and Generation Enhancement), a novel framework that bridges the semantic spaces of vision and text through an innovative alignment mechanism. By introducing the Intelligent Alignment Network (IAN), MAGE achieves dimensional and semantic alignment. To reduce the gap between synonymous heterogeneous data, we employ a training strategy that combines cross-entropy and mean squared error, significantly enhancing the alignment effect. Moreover, to enhance MAGE's "Any-to-Any" capability, we developed a fine-tuning dataset for multimodal tool-calling instructions to expand the model's output capability boundaries. Finally, our proposed multimodal large model architecture, MAGE, achieved significantly better performance compared to similar works across various evaluation benchmarks, including MME, MMBench, and SEED. Complete code and appendix are available at: https://github.com/GTCOM-NLP/MAGE.

Information-theoretic quantities play a crucial role in understanding non-linear relationships between random variables and are widely used across scientific disciplines. However, estimating these quantities remains an open problem, particularly in the case of high-dimensional discrete distributions. Current approaches typically rely on embedding discrete data into a continuous space and applying neural estimators originally designed for continuous distributions, a process that may not fully capture the discrete nature of the underlying data. We consider Continuous-Time Markov Chains (CTMCs), stochastic processes on discrete state-spaces which have gained popularity due to their generative modeling applications. In this work, we introduce INFO-SEDD, a novel method for estimating information-theoretic quantities of discrete data, including mutual information and entropy. Our approach requires the training of a single parametric model, offering significant computational and memory advantages. Additionally, it seamlessly integrates with pretrained networks, allowing for efficient reuse of pretrained generative models. To evaluate our approach, we construct a challenging synthetic benchmark. Our experiments demonstrate that INFO-SEDD is robust and outperforms neural competitors that rely on embedding techniques. Moreover, we validate our method on a real-world task: estimating the entropy of an Ising model. Overall, INFO-SEDD outperforms competing methods and shows scalability to high-dimensional scenarios, paving the way for new applications where estimating MI between discrete distribution is the focus. The promising results in this complex, high-dimensional scenario highlight INFO-SEDD as a powerful new estimator in the toolkit for information-theoretical analysis.

Large language model (LLM)-based multi-agent systems (MAS) have demonstrated exceptional capabilities in solving complex tasks, yet their effectiveness depends heavily on the underlying communication topology that coordinates agent interactions. Within these systems, successful problem-solving often necessitates task-specific group structures to divide and conquer subtasks. However, most existing approaches generate communication topologies in a node-centric manner, leaving group structures to emerge implicitly from local connectivity decisions rather than modeling them explicitly, often leading to suboptimal coordination and unnecessary communication overhead. To address this limitation, we propose GoAgent (Group-of-Agents), a communication topology generation method that explicitly treats collaborative groups as the atomic units of MAS construction. Specifically, GoAgent first enumerates task-relevant candidate groups through an LLM and then autoregressively selects and connects these groups as atomic units to construct the final communication graph, jointly capturing intra-group cohesion and inter-group coordination. To mitigate communication redundancy and noise propagation inherent in expanding topologies, we further introduce a conditional information bottleneck (CIB) objective that compresses inter-group communication, preserving task-relevant signals while filtering out redundant historical noise. Extensive experiments on six benchmarks demonstrate the state-of-the-art performance of GoAgent with 93.84% average accuracy while reducing token consumption by about 17%.

To improve how neural networks function it is crucial to understand their learning process. The information bottleneck theory of deep learning proposes that neural networks achieve good generalization by compressing their representations to disregard information that is not relevant to the task. However, empirical evidence for this theory is conflicting, as compression was only observed when networks used saturating activation functions. In contrast, networks with non-saturating activation functions achieved comparable levels of task performance but did not show compression. In this paper we developed more robust mutual information estimation techniques, that adapt to hidden activity of neural networks and produce more sensitive measurements of activations from all functions, especially unbounded functions. Using these adaptive estimation techniques, we explored compression in networks with a range of different activation functions. With two improved methods of estimation, firstly, we show that saturation of the activation function is not required for compression, and the amount of compression varies between different activation functions. We also find that there is a large amount of variation in compression between different network initializations. Secondary, we see that L2 regularization leads to significantly increased compression, while preventing overfitting. Finally, we show that only compression of the last layer is positively correlated with generalization.

In the era of large language models, creative writing quality lacks a computable theoretical anchor. The dominant approaches are rubric scoring -- decomposing holistic aesthetic judgment into sub-scores -- and RLHF preference signals -- replacing quality with group votes. Both bypass the statistical structure of the text itself. This paper provides an information-theoretic foundation to fill this gap. We propose 'calibrated surprise' as the information-theoretic essence of excellent creative writing. This judgment matches reading intuition and covers its opposite. This literary judgment admits a precise mathematical formulation. Under full-dimensional constraints Y, feasible writing choices are forced into an extremely narrow space. The rare survivors are, from the unconstrained perspective, exactly the least predictable choices. Both are measured precisely by Shannon mutual information I(X;Y) = H(X) - H(X|Y) -- 'calibrated' corresponds to H(X|Y) approaching 0; 'surprising' corresponds to H(X) going high. The subtraction structure of the formula naturally separates 'well-grounded surprise' from 'pure noise'. We use token-level logprobs from Qwen1.5-7B as an operational proxy for the ideal reader's probability distribution. Across 20 pairs (12 Chinese / 8 English) of high-quality vs. systematically degraded literary passages, 20/20 pairs support the core prediction: high-quality passages have systematically higher I(X;Y) than their degraded versions.

Human supervisors rely on coding agents' reports to assess progress, verify repairs, and decide when to intervene. But a supervisor cannot investigate a failure they were never told occurred. Failed attempts, workarounds, and unresolved risks may disappear from routine reports, leaving supervisors unaware of issues that warrant scrutiny. We conduct CTXGAP, a measurement study quantifying the gap in task-state recoverability between agents' accumulated user-facing reports and their full recorded execution contexts. Across 37 coding tasks and 4,799 valid probes, agents answer 93.6% of task-state questions on demand; full-context readers recover 92.7%, while report-only readers recover 52.0%, a 40.7-point gap. At the final checkpoints of 30 verified fixes, the gap remains 34.8 points. Human annotation identifies states mentioned without enough supporting detail as the largest category of unrecovered information, and model-assessed supervision-relevant states retain substantial gaps. Full terminal scrollback improves recovery to 73.6% but still trails full context. Under matched report lengths, context-informed rewrites improve recovery by about eight points, without a detectable targeted-over-natural advantage. Positive gaps persist across harnesses and independent DeepSeek execution and measurement. CTXGAP establishes report-based task-state recoverability as a complementary evaluation dimension.

Retrieval-Augmented Generation (RAG) mitigates hallucinations in Large Language Models (LLMs) by integrating external knowledge. However, conflicts between parametric knowledge and retrieved context pose challenges, particularly when retrieved information is unreliable or the model's internal knowledge is outdated. In such cases, LLMs struggle to determine whether to rely more on their own parameters or the conflicted context. To address this, we propose **CK-PLUG**, a plug-and-play method for controlling LLMs' reliance on parametric and contextual knowledge. We introduce a novel knowledge consistency metric, Confidence Gain, which detects knowledge conflicts by measuring entropy shifts in token probability distributions after context insertion. CK-PLUG then enables fine-grained control over knowledge preference by adjusting the probability distribution of tokens with negative confidence gain through a single tuning parameter. Experiments demonstrate CK-PLUG's ability to significantly regulate knowledge reliance in counterfactual RAG scenarios while maintaining generation fluency and knowledge accuracy. For instance, on Llama3-8B, memory recall (MR) of RAG response can be adjusted within a broad range (9.9%-71.9%), compared to the baseline of 42.1%. Moreover, CK-PLUG supports adaptive control based on the model's confidence in both internal and external knowledge, achieving consistent performance improvements across various general RAG tasks. Our code is available at: https://github.com/byronBBL/CK-PLUG{this https URL}.

RL training of multi-turn LLM agents is inherently unstable, and reasoning quality directly determines task performance. Entropy is widely used to track reasoning stability. However, entropy only measures diversity within the same input, and cannot tell whether reasoning actually responds to different inputs. In RAGEN-2, we find that even with stable entropy, models can rely on fixed templates that look diverse but are input-agnostic. We call this template collapse, a failure mode invisible to entropy and all existing metrics. To diagnose this failure, we decompose reasoning quality into within-input diversity (Entropy) and cross-input distinguishability (Mutual Information, MI), and introduce a family of mutual information proxies for online diagnosis. Across diverse tasks, mutual information correlates with final performance much more strongly than entropy, making it a more reliable proxy for reasoning quality. We further explain template collapse with a signal-to-noise ratio (SNR) mechanism. Low reward variance weakens task gradients, letting regularization terms dominate and erase cross-input reasoning differences. To address this, we propose SNR-Aware Filtering to select high-signal prompts per iteration using reward variance as a lightweight proxy. Across planning, math reasoning, web navigation, and code execution, the method consistently improves both input dependence and task performance.

Multimodal learning has recently gained significant popularity, demonstrating impressive performance across various zero-shot classification tasks and a range of perceptive and generative applications. Models such as Contrastive Language-Image Pretraining (CLIP) are designed to bridge different modalities, such as images and text, by learning a shared representation space through contrastive learning. Despite their success, the working mechanisms underlying multimodal learning are not yet well understood. Notably, these models often exhibit a modality gap, where different modalities occupy distinct regions within the shared representation space. In this work, we conduct an in-depth analysis of the emergence of modality gap by characterizing the gradient flow learning dynamics. Specifically, we identify the critical roles of mismatched data pairs and a learnable temperature parameter in causing and perpetuating the modality gap during training. Furthermore, our theoretical insights are validated through experiments on practical CLIP models. These findings provide principled guidance for mitigating the modality gap, including strategies such as appropriate temperature scheduling and modality swapping. Additionally, we demonstrate that closing the modality gap leads to improved performance on tasks such as image-text retrieval.

Fine-tuning LLMs to inject new knowledge faces a critical challenge: LLMs can quickly memorize new facts, yet fail to use them for downstream reasoning tasks. We formalize this failure as the \textbf{Knowing--Using Gap}, characterized by an accuracy gap and a temporal lag between memorization and generalization. To understand this phenomenon, we fine-tune LLMs with unseen knowledge and monitor the spatial permeation dynamics of the knowledge internally using a novel intervention technique called self-patching. Self-patching identifies activation locations where relocating representations substantially improves failed generalization cases. These results are consistent with a knowledge-circuit misalignment hypothesis: memorized representations can exist internally but may not be routed to computation-effective layers. To demonstrate the practicality of this diagnostic finding, we design a simple heuristic strategy which recovers 58--75\% of the oracle headroom in generalization failure. Experiments are done cross-domain for the robustness of this finding.

Soft prompt tuning achieves superior performances across a wide range of few-shot tasks. However, the performances of prompt tuning can be highly sensitive to the initialization of the prompts. We also empirically observe that conventional prompt tuning methods cannot encode and learn sufficient task-relevant information from prompt tokens. In this work, we develop an information-theoretic framework that formulates soft prompt tuning as maximizing mutual information between prompts and other model parameters (or encoded representations). This novel view helps us to develop a more efficient, accurate and robust soft prompt tuning method InfoPrompt. With this framework, we develop two novel mutual information based loss functions, to (i) discover proper prompt initialization for the downstream tasks and learn sufficient task-relevant information from prompt tokens and (ii) encourage the output representation from the pretrained language model to be more aware of the task-relevant information captured in the learnt prompt. Extensive experiments validate that InfoPrompt can significantly accelerate the convergence of the prompt tuning and outperform traditional prompt tuning methods. Finally, we provide a formal theoretical result for showing to show that gradient descent type algorithm can be used to train our mutual information loss.

A service system may use the same categories to assign standard allocations and to check whether each service is fulfilled. Finer categories can match individual needs more closely, but they divide the observations available for monitoring. We study this conflict for a fixed menu from which participants select by declaring a category, with fulfilment assessed from each category's aggregate outcomes during a fixed period. We relate allocation loss to variation in preferred allocations within categories and identify conditions under which aggregate observations preserve the verification performance of individual records. For nested refinements under stated utility and observation assumptions, an allocation-loss tolerance and a per-category detection target define a feasibility band. Categories must be fine enough to provide suitable allocations but sufficiently populated to support verification. A source-dependent lower bound on declaration entropy and a minimum contributor requirement give necessary information and population constraints. For an explicit finite population with quadratic utility and binary service outcomes, we prove the exact feasible range across all categorical designs and exhibit designs attaining the information lower bound at specified tolerances. The results provide conditions for choosing categories jointly for allocation and verification.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

Masked Diffusion Models (MDMs) offer greater flexibility in decoding order than autoregressive models but require careful planning to achieve high-quality generation. Existing samplers typically adopt greedy heuristics, prioritizing positions with the highest local certainty to decode at each step. Through failure case analysis, we identify a fundamental limitation of this approach: it neglects the downstream impact of current decoding choices on subsequent steps and fails to minimize cumulative uncertainty. In particular, these methods do not fully exploit the non-causal nature of MDMs, which enables evaluating how a decoding decision reshapes token probabilities/uncertainty across all remaining masked positions. To bridge this gap, we propose the Info-Gain Sampler, a principled decoding framework that balances immediate uncertainty with information gain over future masked tokens. Extensive evaluations across diverse architectures and tasks (reasoning, coding, creative writing, and image generation) demonstrate that Info-Gain Sampler consistently outperforms existing samplers for MDMs. For instance, it achieves a 3.6% improvement in average accuracy on reasoning tasks and a 63.1% win-rate in creative writing. Notably, on reasoning tasks it reduces cumulative uncertainty from 78.4 to 48.6, outperforming the best baseline by a large margin. The code will be available at https://github.com/yks23/Information-Gain-Sampler.

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes -- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid_+, Fid_-, and Fid_Delta. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

Collaborative perception empowers each agent to improve its perceptual ability through the exchange of perceptual messages with other agents. It inherently results in a fundamental trade-off between perception ability and communication cost. To address this bottleneck issue, our core idea is to optimize the collaborative messages from two key aspects: representation and selection. The proposed codebook-based message representation enables the transmission of integer codes, rather than high-dimensional feature maps. The proposed information-filling-driven message selection optimizes local messages to collectively fill each agent's information demand, preventing information overflow among multiple agents. By integrating these two designs, we propose CodeFilling, a novel communication-efficient collaborative perception system, which significantly advances the perception-communication trade-off and is inclusive to both homogeneous and heterogeneous collaboration settings. We evaluate CodeFilling in both a real-world dataset, DAIR-V2X, and a new simulation dataset, OPV2VH+. Results show that CodeFilling outperforms previous SOTA Where2comm on DAIR-V2X/OPV2VH+ with 1,333/1,206 times lower communication volume. Our code is available at https://github.com/PhyllisH/CodeFilling.

Large language models (LLMs) are increasingly deployed in multi-agent settings where communication must balance informativeness and secrecy. In such settings, an agent may need to signal information to collaborators while preventing an adversary from inferring sensitive details. However, existing LLM benchmarks primarily evaluate capabilities such as reasoning, factual knowledge, or instruction following, and do not directly measure strategic communication under asymmetric information. We introduce SNEAK (Secret-aware Natural language Evaluation for Adversarial Knowledge), a benchmark for evaluating selective information sharing in language models. In SNEAK, a model is given a semantic category, a candidate set of words, and a secret word, and must generate a message that indicates knowledge of the secret without revealing it too clearly. We evaluate generated messages using two simulated agents with different information states: an ally, who knows the secret and must identify the intended message, and a chameleon, who does not know the secret and attempts to infer it from the message. This yields two complementary metrics: utility, measuring how well the message communicates to collaborators, and leakage, measuring how much information it reveals to an adversary. Using this framework, we analyze the trade-off between informativeness and secrecy in modern language models and show that strategic communication under asymmetric information remains a challenging capability for current systems. Notably, human participants outperform all evaluated models by a large margin, achieving up to four times higher scores.

The opacity of massive pretraining corpora in Large Language Models (LLMs) raises significant privacy and copyright concerns, making pretraining data detection a critical challenge. Existing state-of-the-art methods typically rely on token likelihoods, yet they often overlook the gap between the target token and the model's top-1 prediction, as well as local correlations between adjacent tokens. In this work, we propose Gap-K%, a novel pretraining data detection method grounded in the optimization dynamics of LLM pretraining. By analyzing the next-token prediction objective, we observe that discrepancies between the model's top-1 prediction and the target token induce strong gradient signals, which are explicitly penalized during training. Motivated by this, Gap-K% leverages the log probability gap between the top-1 predicted token and the target token, incorporating a sliding window strategy to capture local correlations and mitigate token-level fluctuations. Extensive experiments on the WikiMIA and MIMIR benchmarks demonstrate that Gap-K% achieves state-of-the-art performance, consistently outperforming prior baselines across various model sizes and input lengths.

The problems of detecting and recovering planted structures/subgraphs in Erdős-Rényi random graphs, have received significant attention over the past three decades, leading to many exciting results and mathematical techniques. However, prior work has largely focused on specific ad hoc planted structures and inferential settings, while a general theory has remained elusive. In this paper, we bridge this gap by investigating the detection of an arbitrary planted subgraph Γ= Γ_n in an Erdős-Rényi random graph G(n, q_n), where the edge probability within Γ is p_n. We examine both the statistical and computational aspects of this problem and establish the following results. In the dense regime, where the edge probabilities p_n and q_n are fixed, we tightly characterize the information-theoretic and computational thresholds for detecting Γ, and provide conditions under which a computational-statistical gap arises. Most notably, these thresholds depend on Γ only through its number of edges, maximum degree, and maximum subgraph density. Our lower and upper bounds are general and apply to any value of p_n and q_n as functions of n. Accordingly, we also analyze the sparse regime where q_n = Θ(n^{-α}) and p_n-q_n =Θ(q_n), with αin[0,2], as well as the critical regime where p_n=1-o(1) and q_n = Θ(n^{-α}), both of which have been widely studied, for specific choices of Γ. For these regimes, we show that our bounds are tight for all planted subgraphs investigated in the literature thus farand many more. Finally, we identify conditions under which detection undergoes sharp phase transition, where the boundaries at which algorithms succeed or fail shift abruptly as a function of q_n.

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.

We carry out an information-theoretical analysis of a two-layer neural network trained from input-output pairs generated by a teacher network with matching architecture, in overparametrized regimes. Our results come in the form of bounds relating i) the mutual information between training data and network weights, or ii) the Bayes-optimal generalization error, to the same quantities but for a simpler (generalized) linear model for which explicit expressions are rigorously known. Our bounds, which are expressed in terms of the number of training samples, input dimension and number of hidden units, thus yield fundamental performance limits for any neural network (and actually any learning procedure) trained from limited data generated according to our two-layer teacher neural network model. The proof relies on rigorous tools from spin glasses and is guided by ``Gaussian equivalence principles'' lying at the core of numerous recent analyses of neural networks. With respect to the existing literature, which is either non-rigorous or restricted to the case of the learning of the readout weights only, our results are information-theoretic (i.e. are not specific to any learning algorithm) and, importantly, cover a setting where all the network parameters are trained.

The Uniform Information Density (UID) hypothesis suggests that effective communication maintains a stable flow of information. In this work, we revisit this principle in the context of large language model (LLM) reasoning traces, asking whether step-level uniformity reflects reasoning quality. To this end, we propose an entropy-based stepwise information density metric and introduce two complementary measures of uniformity, local and global uniformity scores. Across the experiments on six different reasoning benchmarks, we find that step-level uniformity not only provides a strong theoretical lens but also yields practical performance benefits; for example, selecting reasoning traces with more uniform information density at the step-level improves accuracy by 10-32\% relative gains over baselines at AIME2025. Our analysis further reveals that correct reasoning traces tend to avoid sharp information density spikes, while incorrect traces exhibit irregular information bursts. These results demonstrate that UID-inspired information density measures outperform alternative internal signals as predictors of reasoning quality. Results highlight the uniformity of the information density as a robust diagnostic and selection criterion for building more reliable and accurate reasoning systems.

Generative adversial network (GAN) is a type of generative model that maps a high-dimensional noise to samples in target distribution. However, the dimension of noise required in GAN is not well understood. Previous approaches view GAN as a mapping from a continuous distribution to another continous distribution. In this paper, we propose to view GAN as a discrete sampler instead. From this perspective, we build a connection between the minimum noise required and the bits to losslessly compress the images. Furthermore, to understand the behaviour of GAN when noise dimension is limited, we propose divergence-entropy trade-off. This trade-off depicts the best divergence we can achieve when noise is limited. And as rate distortion trade-off, it can be numerically solved when source distribution is known. Finally, we verifies our theory with experiments on image generation.

The efficacy of diffusion models in generating a spectrum of data modalities, including images, text, and videos, has spurred inquiries into their utility in molecular generation, yielding significant advancements in the field. However, the molecular generation process with diffusion models involves multiple autoregressive steps over a finite time horizon, leading to exposure bias issues inherently. To address the exposure bias issue, we propose a training framework named GapDiff. The core idea of GapDiff is to utilize model-predicted conformations as ground truth probabilistically during training, aiming to mitigate the data distributional disparity between training and inference, thereby enhancing the affinity of generated molecules. We conduct experiments using a 3D molecular generation model on the CrossDocked2020 dataset, and the vina energy and diversity demonstrate the potency of our framework with superior affinity. GapDiff is available at https://github.com/HUGHNew/gapdiff.

While large-scale text-to-image generative models have achieved unprecedented visual performance, their inherent reliance on multi-step iterative solvers incurs severe inference latency. Few-step distillation targeting the Classifier-Free Guidance (CFG) trajectory has emerged as the prevalent dual-dimensional compression paradigm. However, existing frameworks remain subjugated by a coarse-grained blind injection paradigm that perpetually enforces a globally static guidance strength while indiscriminately sampling the supervisor timestep. This state-agnostic design completely disregards the intrinsic nature of image generation as a dynamic evolutionary process characterized by progressive entropy reduction, which not only restricts the performance boundary of few-step compression but also precipitates severe CFG over-conditioning artifacts. To transcend these limitations, we re-examine the distillation procedure through the theoretical lens of Information Theory, formally modeling it as a dynamic mutual information game constrained by the Information Bottleneck (IB) principle. Specifically, we dismantle traditional blind assumptions via a dual-track adaptive framework. To determine the injection target, we propose an instance-aware selection mechanism that transmutes the intractable KL divergence constraint into a zero-overhead closed-form solution predicated on the local vector field norm. To regulate the injection strength, we introduce an entropy-aware schedule that dynamically decays alongside the SNR, applying maximal thrust for initial structural anchoring before smoothly reverting to the natural manifold to refine micro-details. Extensive empirical evaluations corroborate that our framework fundamentally eradicates over-conditioning artifacts, shattering the performance ceiling to achieve SOTA generative fidelity under extremely stringent 2-step configurations.

Role-playing models (RPMs) are widely used in real-world applications but underperform when deployed in the wild. This degradation can be attributed to distribution shifts, including user, character, and dialogue compositional shifts. Existing methods like LLM-as-a-judge fall short in providing a fine-grained diagnosis of how these shifts affect RPM generalization, and thus there lack formal frameworks to characterize RPM generalization behaviors. To bridge these gaps, we introduce an information-theoretic metric, named reasoning-based effective mutual information difference (R-EMID), to measure RPM performance degradation in an interpretable way. We also derive an upper bound on R-EMID to predict the worst-case generalization performance of RPMs and theoretically reveal how various shifts contribute to the RPM performance degradation. Moreover, we propose a co-evolving reinforcement learning framework to adaptively model the connection among user, character, and dialogue context and thus enhance the estimation of dialogue response generation probability, which is critical for calculating R-EMID. Finally, we evaluate the generalization performance of various RPMs using R-EMID, finding that user shift poses the highest risk among all shifts and reinforcement learning is the most effective approach for enhancing RPM generalization.

We introduce GACELA, a generative adversarial network (GAN) designed to restore missing musical audio data with a duration ranging between hundreds of milliseconds to a few seconds, i.e., to perform long-gap audio inpainting. While previous work either addressed shorter gaps or relied on exemplars by copying available information from other signal parts, GACELA addresses the inpainting of long gaps in two aspects. First, it considers various time scales of audio information by relying on five parallel discriminators with increasing resolution of receptive fields. Second, it is conditioned not only on the available information surrounding the gap, i.e., the context, but also on the latent variable of the conditional GAN. This addresses the inherent multi-modality of audio inpainting at such long gaps and provides the option of user-defined inpainting. GACELA was tested in listening tests on music signals of varying complexity and gap durations ranging from 375~ms to 1500~ms. While our subjects were often able to detect the inpaintings, the severity of the artifacts decreased from unacceptable to mildly disturbing. GACELA represents a framework capable to integrate future improvements such as processing of more auditory-related features or more explicit musical features.

Speech brain-computer interfaces (speech BCIs) translate neural activity into language, offering a path towards restoring speech for people with paralysis and, more broadly, enabling new forms of natural human-computer interaction. Despite this promise, the field lacks a common measure of progress because systems use different datasets, recording methods, types of speech, and vocabularies, so their reported scores are rarely comparable. Underlying this measurement problem are two unresolved questions: (i) what distribution of words should a speech BCI enable a user to communicate, and (ii) how much information from this distribution can a system convey. We address both by deriving open-vocabulary mutual information (OVMI), an information-theoretic quantity that measures the information conveyed by a decoder relative to a reference distribution over the words a user may wish to communicate. This allows capabilities measured under different conditions, such as distinct vocabularies, to be evaluated on a common communication scale. We show that ordinarily reported accuracy, word error rate (WER), and other metrics computed only over the words a system supports can overstate how much of a user's intended speech the system can communicate. We then use OVMI to compare existing systems, expose trade-offs between how much of the user's language a system supports and how accurately it decodes those words, show that these comparisons depend on what the user is expected to communicate, and demonstrate that selecting a vocabulary to maximise OVMI yields up to 16.3% relative improvement in accuracy across three speech domains. OVMI therefore provides the speech BCI community with a principled way to compare heterogeneous systems, improve vocabulary design, and measure progress in the field.

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 increasingly evaluated in interactive environments to test their social intelligence. However, existing benchmarks often assume idealized communication between agents, limiting our ability to diagnose whether LLMs can maintain and repair interactions in more realistic, imperfect settings. To close this gap, we present SocialVeil, a social learning environment that can simulate social interaction under cognitive-difference-induced communication barriers. Grounded in a systematic literature review of communication challenges in human interaction, SocialVeil introduces three representative types of such disruption, semantic vagueness, sociocultural mismatch, and emotional interference. We also introduce two barrier-aware evaluation metrics, unresolved confusion and mutual understanding, to evaluate interaction quality under impaired communication. Experiments across 720 scenarios and four frontier LLMs show that barriers consistently impair performance, with mutual understanding reduced by over 45\% on average, and confusion elevated by nearly 50\%. Human evaluations validate the fidelity of these simulated barriers (ICCapprox0.78, Pearson rapprox0.80). We further demonstrate that adaptation strategies (Repair Instruction and Interactive learning) only have a modest effect far from barrier-free performance. This work takes a step toward bringing social interaction environments closer to real-world communication, opening opportunities for exploring the social intelligence of LLM agents.

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.

Quantum low-density parity-check (qLDPC) codes have a canonical mixed state---the normalized projector onto the code space---that lies at the intersection of quantum error correction and quantum many-body physics, yet the stability of its information-theoretic structure under local noise remains poorly understood. Recent progress on mixed-state phases of matter has identified the spatial decay of conditional mutual information (CMI) I(A:C|B) as a key diagnostic of such stability, analogous to the role of the spectral gap for quantum ground states. We prove that, for the normalized code-projector state of a Z_d qLDPC stabilizer code under local Pauli noise, the CMI across a buffer B separating A from C decays exponentially with the width of B in two complementary noise regimes independent of system size. At weak noise, this holds for full-system tripartitions, where correlations between the two sides require an error cluster to cross the buffer, an exponentially unlikely event. At strong noise, exponential decay holds whenever the buffer supports no logical operator, since correlations can persist only along rare chains of buffer qudits that remain informative. Under an additional space-uniformity assumption, we establish the robustness of Levin--Wen topological entropy. On finite-dimensional lattices of size n, the weak-noise bound further implies a constant-layer quasi-local Petz recovery channel of range O(poly(log n)/varepsilon) that recovers the noiseless state within trace-distance error varepsilon. Both CMI bounds apply to general qLDPC interaction graphs, including geometries where such constant-depth quasi-local recovery need not exist. Thus, the exponential decay of the noise-induced CMI provides a general criterion for mixed-state phase stability.

We introduce the problem of active causal structure learning with advice. In the typical well-studied setting, the learning algorithm is given the essential graph for the observational distribution and is asked to recover the underlying causal directed acyclic graph (DAG) G^* while minimizing the number of interventions made. In our setting, we are additionally given side information about G^* as advice, e.g. a DAG G purported to be G^*. We ask whether the learning algorithm can benefit from the advice when it is close to being correct, while still having worst-case guarantees even when the advice is arbitrarily bad. Our work is in the same space as the growing body of research on algorithms with predictions. When the advice is a DAG G, we design an adaptive search algorithm to recover G^* whose intervention cost is at most O(max{1, log psi}) times the cost for verifying G^*; here, psi is a distance measure between G and G^* that is upper bounded by the number of variables n, and is exactly 0 when G=G^*. Our approximation factor matches the state-of-the-art for the advice-less setting.

When are multi-agent LLM systems merely a collection of individual agents versus an integrated collective with higher-order structure? We introduce an information-theoretic framework to test -- in a purely data-driven way -- whether multi-agent systems show signs of higher-order structure. This information decomposition lets us measure whether dynamical emergence is present in multi-agent LLM systems, localize it, and distinguish spurious temporal coupling from performance-relevant cross-agent synergy. We implement a practical criterion and an emergence capacity criterion operationalized as partial information decomposition of time-delayed mutual information (TDMI). We apply our framework to experiments using a simple guessing game without direct agent communication and minimal group-level feedback with three randomized interventions. Groups in the control condition exhibit strong temporal synergy but little coordinated alignment across agents. Assigning a persona to each agent introduces stable identity-linked differentiation. Combining personas with an instruction to ``think about what other agents might do'' shows identity-linked differentiation and goal-directed complementarity across agents. Taken together, our framework establishes that multi-agent LLM systems can be steered with prompt design from mere aggregates to higher-order collectives. Our results are robust across emergence measures and entropy estimators, and not explained by coordination-free baselines or temporal dynamics alone. Without attributing human-like cognition to the agents, the patterns of interaction we observe mirror well-established principles of collective intelligence in human groups: effective performance requires both alignment on shared objectives and complementary contributions across members.

We investigate how teacher-student capacity relationships modulate knowledge distillation (KD) effectiveness in ResNet-based image classification on CIFAR-10. Across three teacher-student pairs -- R50->R18, R34->R18, and R50->R34 -- we compare Logit-KD and Feature-KD under controlled, reproducible conditions (3 seeds, mean+/-std reported throughout). We report three main findings. First, student capacity is a key moderating factor in distillation gain: R34 students benefit substantially more from KD than R18 students even when teacher-student accuracy gaps are comparable, with the strongest gain of +0.30pp observed for R50->R34 Feature-KD versus +0.18pp for R34->R18 Feature-KD and +0.00pp for R34->R18 Logit-KD. Second, implementation correctness critically affects Feature-KD: a gradient clipping bug that excluded projection layers suppressed Feature-KD performance and produced misleading comparisons with Logit-KD. After correction, Feature-KD matches or outperforms Logit-KD in two of three pairs, reaching 95.55% on R50->R34 against a baseline of 95.25%. Third, input-resolution-aware architecture is a prerequisite for effective distillation: correcting the ResNet stem for 32x32 inputs raises teacher accuracy by over 5pp -- an order of magnitude larger than any KD gain. All code and results are available at github.com/umutonuryasar/kd-capacity-gap.

The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce SOmegaI, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of SOmegaI in the context of a real-world use case.

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

Deceptive web content, widely instantiated across the internet and commonly known as social-engineering attacks, manipulates autonomous web agents into submitting users' personally identifiable information (PII) to attacker-controlled endpoints. In this paper, we show that social-engineering attacks are highly effective at extracting critical-tier PII from frontier web agents, posing a severe risk to deployed agentic systems. To quantify this risk, we introduce \textsc{Scammer4U}, a pre-registered benchmark of 91 attacker-controlled environments and 10 benign-twin baselines, spanning 8 attack vectors and 16 site categories on an 8-axis factorial taxonomy that isolates the causal contribution of individual attack design factors. Across frontier agents, we find that critical-tier PII leakage reaches 54--93\% under no privacy guidance, compared to 0\% on benign-twin baselines, confirming that leakage is attack-attributable rather than incidental form-filling. Escalating prompt-level mitigation yields sharply model-dependent reductions across the four families and remains insufficient to reliably prevent critical PII submission at the pooled level. Most critically, we identify a detection--action gap: agents whose reasoning an independent LLM judge confirms has flagged the site as suspicious still submit critical PII in 35.9\% of sessions, versus 66.1\% when no suspicion is verbalized, a 30.2\% gap robust across all four model families. Our findings reveal that defenses conditioned on the agent's own recognition of an attack are gating on the wrong signal, motivating output-level interception of outbound submissions that operates independently of the agent's reasoning loop.

While Retrieval-Augmented Generation (RAG) mitigates hallucination and knowledge staleness in Large Language Models (LLMs), existing frameworks often falter on complex, multi-hop queries that require synthesizing information from disparate sources. Current advanced RAG methods, employing iterative or adaptive strategies, lack a robust mechanism to systematically identify and fill evidence gaps, often propagating noise or failing to gather a comprehensive context. We introduce FAIR-RAG, a novel agentic framework that transforms the standard RAG pipeline into a dynamic, evidence-driven reasoning process. At its core is an Iterative Refinement Cycle governed by a module we term Structured Evidence Assessment (SEA). The SEA acts as an analytical gating mechanism: it deconstructs the initial query into a checklist of required findings and audits the aggregated evidence to identify confirmed facts and, critically, explicit informational gaps. These gaps provide a precise signal to an Adaptive Query Refinement agent, which generates new, targeted sub-queries to retrieve missing information. This cycle repeats until the evidence is verified as sufficient, ensuring a comprehensive context for a final, strictly faithful generation. We conducted experiments on challenging multi-hop QA benchmarks, including HotpotQA, 2WikiMultiHopQA, and MusiQue. In a unified experimental setup, FAIR-RAG significantly outperforms strong baselines. On HotpotQA, it achieves an F1-score of 0.453 -- an absolute improvement of 8.3 points over the strongest iterative baseline -- establishing a new state-of-the-art for this class of methods on these benchmarks. Our work demonstrates that a structured, evidence-driven refinement process with explicit gap analysis is crucial for unlocking reliable and accurate reasoning in advanced RAG systems for complex, knowledge-intensive tasks.

In image-to-image translation, each patch in the output should reflect the content of the corresponding patch in the input, independent of domain. We propose a straightforward method for doing so -- maximizing mutual information between the two, using a framework based on contrastive learning. The method encourages two elements (corresponding patches) to map to a similar point in a learned feature space, relative to other elements (other patches) in the dataset, referred to as negatives. We explore several critical design choices for making contrastive learning effective in the image synthesis setting. Notably, we use a multilayer, patch-based approach, rather than operate on entire images. Furthermore, we draw negatives from within the input image itself, rather than from the rest of the dataset. We demonstrate that our framework enables one-sided translation in the unpaired image-to-image translation setting, while improving quality and reducing training time. In addition, our method can even be extended to the training setting where each "domain" is only a single image.

Learning representations that are useful for unknown downstream tasks is a fundamental challenge in representation learning. Prominent approaches in this domain include contrastive learning, self-supervised masking, and denoising auto-encoders. In this paper, we introduce a novel method, termed contrastive Mutual Information Machine (cMIM), which aims to enhance the utility of learned representations for downstream tasks. cMIM integrates a new contrastive learning loss with the Mutual Information Machine (MIM) learning framework, a probabilistic auto-encoder that maximizes the mutual information between inputs and latent representations while clustering the latent codes. Despite MIM's potential, initial experiments indicated that the representations learned by MIM were less effective for discriminative downstream tasks compared to state-of-the-art (SOTA) models. The proposed cMIM method directly addresses this limitation. The main contributions of this work are twofold: (1) We propose a novel contrastive extension to MIM for learning discriminative representations which eliminates the need for data augmentation and is robust to variations in the number of negative examples (i.e., batch size). (2) We introduce a generic method for extracting informative embeddings from encoder-decoder models, which significantly improves performance in discriminative downstream tasks without requiring additional training. This method is applicable to any pre-trained encoder-decoder model. By presenting cMIM, we aim to offer a unified generative model that is effective for both generative and discriminative tasks. Our results demonstrate that the learned representations are valuable for downstream tasks while maintaining the generative capabilities of MIM.

Responses generated by neural conversational models tend to lack informativeness and diversity. We present Adversarial Information Maximization (AIM), an adversarial learning strategy that addresses these two related but distinct problems. To foster response diversity, we leverage adversarial training that allows distributional matching of synthetic and real responses. To improve informativeness, our framework explicitly optimizes a variational lower bound on pairwise mutual information between query and response. Empirical results from automatic and human evaluations demonstrate that our methods significantly boost informativeness and diversity.

The efficient coding hypothesis proposes that the response properties of sensory systems are adapted to the statistics of their inputs such that they capture maximal information about the environment, subject to biological constraints. While elegant, information theoretic properties are notoriously difficult to measure in practical settings or to employ as objective functions in optimization. This difficulty has necessitated that computational models designed to test the hypothesis employ several different information metrics ranging from approximations and lower bounds to proxy measures like reconstruction error. Recent theoretical advances have characterized a novel and ecologically relevant efficiency metric, the manifold capacity, which is the number of object categories that may be represented in a linearly separable fashion. However, calculating manifold capacity is a computationally intensive iterative procedure that until now has precluded its use as an objective. Here we outline the simplifying assumptions that allow manifold capacity to be optimized directly, yielding Maximum Manifold Capacity Representations (MMCR). The resulting method is closely related to and inspired by advances in the field of self supervised learning (SSL), and we demonstrate that MMCRs are competitive with state of the art results on standard SSL benchmarks. Empirical analyses reveal differences between MMCRs and representations learned by other SSL frameworks, and suggest a mechanism by which manifold compression gives rise to class separability. Finally we evaluate a set of SSL methods on a suite of neural predictivity benchmarks, and find MMCRs are higly competitive as models of the ventral stream.

A fundamental bottleneck in human-AI collaboration is the "intention expression gap," the difficulty for humans to effectively convey complex, high-dimensional thoughts to AI. This challenge often traps users in inefficient trial-and-error loops and is exacerbated by the diverse expertise levels of users. We reframe this problem from passive instruction following to a Socratic collaboration paradigm, proposing an agent that actively probes for information to resolve its uncertainty about user intent. we name the proposed agent Nous, trained to acquire proficiency in this inquiry policy. The core mechanism of Nous is a training framework grounded in the first principles of information theory. Within this framework, we define the information gain from dialogue as an intrinsic reward signal, which is fundamentally equivalent to the reduction of Shannon entropy over a structured task space. This reward design enables us to avoid reliance on costly human preference annotations or external reward models. To validate our framework, we develop an automated simulation pipeline to generate a large-scale, preference-based dataset for the challenging task of scientific diagram generation. Comprehensive experiments, including ablations, subjective and objective evaluations, and tests across user expertise levels, demonstrate the effectiveness of our proposed framework. Nous achieves leading efficiency and output quality, while remaining robust to varying user expertise. Moreover, its design is domain-agnostic, and we show evidence of generalization beyond diagram generation. Experimental results prove that our work offers a principled, scalable, and adaptive paradigm for resolving uncertainty about user intent in complex human-AI collaboration.

As large language model (LLM) agents evolve from isolated tool users into coordinated teams, reinforcement learning (RL) must optimize not only individual actions but also how work is spawned, delegated, communicated, aggregated, and stopped. This paper studies RL for LLM-based multi-agent systems through orchestration traces: temporal interaction graphs whose events include sub-agent spawning, delegation, communication, tool use, return, aggregation, and stopping decisions. Using this lens, we identify three technical axes. First, reward design spans eight families, including orchestration rewards for parallelism speedup, split correctness, and aggregation quality. Second, reward and credit signals attach to eight credit- or signal-bearing units from token to team; explicit counterfactual message-level credit remains especially sparse in our curated pool. Third, orchestration learning decomposes into five sub-decisions: when to spawn, whom to delegate to, how to communicate, how to aggregate, and when to stop. In our curated pool as of May 4, 2026, we found no explicit RL training method for the stopping decision. We connect academic methods to public industrial evidence from Kimi Agent Swarm, OpenAI Codex, and Anthropic Claude Code. The resulting scale gap is a gap between publicly reported deployment envelopes and open academic evaluation regimes, not independent verification of industrial training traces. We release the artifact at https://github.com/xxzcc/awesome-llm-mas-rl, including an 84-entry tagged paper pool, a 32-record exclusion log, scripted corpus statistics, and a minimal JSON schema for replayable orchestration traces.

Block drafters propose several tokens in one forward pass, before earlier target tokens are realised. Their rejection mixes two losses: missing within-block path information and imperfect modelling of observable information. Accepted length cannot distinguish them. We separate the two with an information floor, the minimum expected rejection at a specified conditioning order; rejection above this floor is the model gap. Estimating both from target rollouts across four domains, four open-weight targets, and a frontier API target yields three findings. First, the all-parallel floor reaches 0.286 at the final slot on Qwen3-4B, limiting even the best proposal to 71% per-slot acceptance. Second, one realised token removes 86--100% of this floor, a locality also recovered by an independent mutual-information analysis. Third, current drafters remain far above their floors: the final-slot model gap accounts for 43--64% of DFlash rejection and 85--92% of DSpark's oracle-conditioned rejection. These findings separate the value of short-range conditioning from proposal quality. Guided by this distinction, we replace a context-independent predecessor correction with a prefix-attention head that reads committed context conditional on the predecessor. With supporting backbone components, the resulting Qwen3-4B drafter improves mean serving accepted length by 3.83% over the released DSpark checkpoint across nine tasks, without increasing the conditioning order.

A growing gap separates inference context lengths from RL post-training: inference systems are approaching million-token contexts, while post-training workloads often remain at 256K tokens or below and rely on length generalization at deployment. The gap is especially important for AI agents, whose observations, tool outputs, documents, and prior decisions accumulate over long trajectories. LongStraw is an architecture-aware execution stack for million-token RL post-training under a fixed GPU budget, instantiated with Group Relative Policy Optimization (GRPO). It evaluates the shared prompt without autograd, retains only model-specific state needed by later tokens, and replays short response branches one at a time, reducing the live training graph at the cost of additional replay time. We implement it for the hybrid recurrent and full-attention Qwen3.6-27B and the compressed-attention mixture-of-experts GLM-5.2. On eight H20 GPUs, LongStraw completes grouped Qwen scoring and response backward at 2.1M positions for groups of 2 and 8; increasing the group size adds only 0.21 GB of peak allocated memory, while a separate stress test reaches 4.46M positions. On 32 H20 GPUs, we validate the end-to-end LongStraw execution path for a 2.1M-token prompt across all 78 layers of GLM-5.2. These experiments establish execution capacity rather than complete training correctness because the captured prompt state is detached and some distributed forward and gradient composition paths remain incomplete.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. These models exhibit intriguing properties, such as the existence of the maximum likelihood estimator with merely two observations for M-matrices lauritzen2019maximum,slawski2015estimation and even one observation for diagonally dominant M-matrices truell2021maximum. We propose an adaptive multiple-stage estimation method that refines the estimate by solving a weighted ell_1-regularized problem at each stage. Furthermore, we develop a unified framework based on the gradient projection method to solve the regularized problem, incorporating distinct projections to handle the constraints of M-matrices and diagonally dominant M-matrices. A theoretical analysis of the estimation error is provided. Our method outperforms state-of-the-art methods in precision matrix estimation and graph edge identification, as evidenced by synthetic and financial time-series data sets.

Cultural awareness capabilities has emerged as a critical capability for Multimodal Large Language Models (MLLMs). However, current benchmarks lack progressed difficulty in their task design and are deficient in cross-lingual tasks. Moreover, current benchmarks often use real-world images. Each real-world image typically contains one culture, making these benchmarks relatively easy for MLLMs. Based on this, we propose C^3B (Comics Cross-Cultural Benchmark), a novel multicultural, multitask and multilingual cultural awareness capabilities benchmark. C^3B comprises over 2000 images and over 18000 QA pairs, constructed on three tasks with progressed difficulties, from basic visual recognition to higher-level cultural conflict understanding, and finally to cultural content generation. We conducted evaluations on 11 open-source MLLMs, revealing a significant performance gap between MLLMs and human performance. The gap demonstrates that C^3B poses substantial challenges for current MLLMs, encouraging future research to advance the cultural awareness capabilities of MLLMs.

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and cannot integrate new data points. To address these drawbacks, we propose InfoOT, an information-theoretic extension of optimal transport that maximizes the mutual information between domains while minimizing geometric distances. The resulting objective can still be formulated as a (generalized) optimal transport problem, and can be efficiently solved by projected gradient descent. This formulation yields a new projection method that is robust to outliers and generalizes to unseen samples. Empirically, InfoOT improves the quality of alignments across benchmarks in domain adaptation, cross-domain retrieval, and single-cell alignment.

Explaining an inferred fact under rule evaluation can require identifying the inclusion-minimal input sets that suffice for the inference and the deletions that make the fact disappear. For a fixed union of conjunctive queries, every minimal support is bounded by the query body. For recursive rules, the same answer may depend on large supports, and the number of minimal supports may be exponential in the input. We study the gap through deletion-based explanation, using inclusion-minimal endogenous input facts that entail the atom together with fixed background facts. We organize these supports as a hypergraph and prove that it determines actual causes, counterfactual causes, responsibility, and deletion robustness. The resulting view separates nonrecursive queries from recursive Datalog at the level of minimal input explanations. For positive-length reachability, minimal supports are exactly simple directed paths, and deletion robustness is the minimum directed edge cut. We also prove invariance under fixed-goal equivalent positive Datalog programs and an NP-hardness calibration for the robustness threshold problem.

Time-dependent data-generating distributions have proven to be difficult for gradient-based training of neural networks, as the greedy updates result in catastrophic forgetting of previously learned knowledge. Despite the progress in the field of continual learning to overcome this forgetting, we show that a set of common state-of-the-art methods still suffers from substantial forgetting upon starting to learn new tasks, except that this forgetting is temporary and followed by a phase of performance recovery. We refer to this intriguing but potentially problematic phenomenon as the stability gap. The stability gap had likely remained under the radar due to standard practice in the field of evaluating continual learning models only after each task. Instead, we establish a framework for continual evaluation that uses per-iteration evaluation and we define a new set of metrics to quantify worst-case performance. Empirically we show that experience replay, constraint-based replay, knowledge-distillation, and parameter regularization methods are all prone to the stability gap; and that the stability gap can be observed in class-, task-, and domain-incremental learning benchmarks. Additionally, a controlled experiment shows that the stability gap increases when tasks are more dissimilar. Finally, by disentangling gradients into plasticity and stability components, we propose a conceptual explanation for the stability gap.

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

It is believed that in knowledge distillation (KD), the role of the teacher is to provide an estimate for the unknown Bayes conditional probability distribution (BCPD) to be used in the student training process. Conventionally, this estimate is obtained by training the teacher using maximum log-likelihood (MLL) method. To improve this estimate for KD, in this paper we introduce the concept of conditional mutual information (CMI) into the estimation of BCPD and propose a novel estimator called the maximum CMI (MCMI) method. Specifically, in MCMI estimation, both the log-likelihood and CMI of the teacher are simultaneously maximized when the teacher is trained. Through Eigen-CAM, it is further shown that maximizing the teacher's CMI value allows the teacher to capture more contextual information in an image cluster. Via conducting a thorough set of experiments, we show that by employing a teacher trained via MCMI estimation rather than one trained via MLL estimation in various state-of-the-art KD frameworks, the student's classification accuracy consistently increases, with the gain of up to 3.32\%. This suggests that the teacher's BCPD estimate provided by MCMI method is more accurate than that provided by MLL method. In addition, we show that such improvements in the student's accuracy are more drastic in zero-shot and few-shot settings. Notably, the student's accuracy increases with the gain of up to 5.72\% when 5\% of the training samples are available to the student (few-shot), and increases from 0\% to as high as 84\% for an omitted class (zero-shot). The code is available at https://github.com/iclr2024mcmi/ICLRMCMI.

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

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

We develop a multi-rate distributed unscented Kalman filter for nonlinear networks without a fusion center. Local continuous-discrete UKFs run on a common base grid, update at their own sampling instants, and exchange estimates within one-hop neighborhoods. Under a windowed collective-detectability condition, diffusion of information matrices gives uniformly bounded quotient covariances although no individual node need be observable. When the collectively invisible subspace is trivial and the statistical-linearization discrepancies satisfy an explicit coherence bound, the information weighted fused mean yields exponentially bounded mean-square errors without a contraction-mixing condition. This contrasts with the arithmetic diffusiojn mean, which requires one. A distributed H_{infty} variant uses a fixed attenuation penalty. A finite-prefix feasibility check and the one-hop detectability Gramian yield a uniform regularized-information margin - an explicit local-contraction-mixing condition then yields mean-square error boundedness. The developed methods are tested on a stochastic nonlinear benchmark and a three-inertia network in which every node misses at least one mode. Information diffusion is more accurate than five-round covariance-averaging consensus at one fifth of its communication. It remains stable under 3:2 multi-rate sampling, where the covariance-averaging consensus and the diffusion mean both diverge, and it keeps the quotient covariances bounded.

While diffusion models excel at generating high-quality samples, their latent variables typically lack semantic meaning and are not suitable for representation learning. Here, we propose InfoDiffusion, an algorithm that augments diffusion models with low-dimensional latent variables that capture high-level factors of variation in the data. InfoDiffusion relies on a learning objective regularized with the mutual information between observed and hidden variables, which improves latent space quality and prevents the latents from being ignored by expressive diffusion-based decoders. Empirically, we find that InfoDiffusion learns disentangled and human-interpretable latent representations that are competitive with state-of-the-art generative and contrastive methods, while retaining the high sample quality of diffusion models. Our method enables manipulating the attributes of generated images and has the potential to assist tasks that require exploring a learned latent space to generate quality samples, e.g., generative design.

Objective assessment of source-separation systems still mismatches subjective human perception, especially when leakage and self-distortion interact. We introduce the Perceptual Separation (PS) and Perceptual Match (PM), the first pair of measures that functionally isolate these two factors. Our intrusive method begins with generating a bank of fundamental distortions for each reference waveform signal in the mixture. Distortions, references, and their respective system outputs from all sources are then independently encoded by a pre-trained self-supervised learning model. These representations are aggregated and projected onto a manifold via diffusion maps, which aligns Euclidean distances on the manifold with dissimilarities of the encoded waveforms. On this manifold, the PM measures the Mahalanobis distance from each output to its attributed cluster that consists of its reference and distortions embeddings, capturing self-distortion. The PS accounts for the Mahalanobis distance of the output to the attributed and to the closest non-attributed clusters, quantifying leakage. Both measures are differentiable and granular, operating at a resolution as low as 50 frames per second. We further derive, for both measures, deterministic error radius and non-asymptotic, high-probability confidence intervals (CIs). Experiments on English, Spanish, and music mixtures show that the PS and PM nearly always achieve the highest linear correlation coefficients with human mean-opinion scores than 14 competitors, reaching as high as 86.36% for speech and 87.21% for music. We observe, at worst, an error radius of 1.39% and a probabilistic 95% CI of 12.21% for these coefficients, which improves reliable and informed evaluation. Using mutual information, the measures complement each other most as their values decrease, suggesting they are jointly more informative as system performance degrades.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

The Frechet Inception Distance (FID) is the de facto arbiter of image generation, yet most papers report just a single number from a single trained model using a single sampling seed. How reproducible is that number if we retrain the model, or merely resample from it? In this paper, we treat FID as a random variable on a two-axis panel of training and generation seeds, and measure its variance directly on several hundred SiT networks trained on class-conditional ImageNet 256x256. We report surprising findings: (a) Retraining the model using the same recipe with a different seed moves FID 3.2x more (in Inception feature space) than redrawing samples from a fixed network. (b) That gap is driven by three factors: random initialisation, data ordering, and the per-step Gaussian noise of the flow-matching loss. (c) Increasing compute or model size barely tightens the spread, holding the FID coefficient of variation (CoV) inside a 1-2% band. (d) Per-cell classifier-free-guidance tuning halves the spread but reshuffles which seeds work best, and a lucky training seed reaches the same FID with up to 2x less compute than an unlucky one. Based on these findings, we recommend a new FID evaluation protocol: evaluate under per-cell optimal guidance, treat any FID gap below the empirically measured ~1.3% CoV as inconclusive, and report an error bar over several training seeds rather than a single FID number.

Sequence-to-sequence neural network models for generation of conversational responses tend to generate safe, commonplace responses (e.g., "I don't know") regardless of the input. We suggest that the traditional objective function, i.e., the likelihood of output (response) given input (message) is unsuited to response generation tasks. Instead we propose using Maximum Mutual Information (MMI) as the objective function in neural models. Experimental results demonstrate that the proposed MMI models produce more diverse, interesting, and appropriate responses, yielding substantive gains in BLEU scores on two conversational datasets and in human evaluations.

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation mechanism. In particular, when the data distribution shows a significant shift, most GNNs would fail to produce reliable predictions and may even make decisions randomly. One of the most promising solutions to improve the model generalization is to pick out causal invariant parts in the input graph. Nonetheless, we observe a significant distribution gap between the causal parts learned by existing methods and the ground truth, leading to undesirable performance. In response to the above issues, this paper presents GPro, a model that learns graph causal invariance with progressive inference. Specifically, the complicated graph causal invariant learning is decomposed into multiple intermediate inference steps from easy to hard, and the perception of GPro is continuously strengthened through a progressive inference process to extract causal features that are stable to distribution shifts. We also enlarge the training distribution by creating counterfactual samples to enhance the capability of the GPro in capturing the causal invariant parts. Extensive experiments demonstrate that our proposed GPro outperforms the state-of-the-art methods by 4.91% on average. For datasets with more severe distribution shifts, the performance improvement can be up to 6.86%.

This paper presents a method to explain how the information of each input variable is gradually discarded during the forward propagation in a deep neural network (DNN), which provides new perspectives to explain DNNs. We define two types of entropy-based metrics, i.e. (1) the discarding of pixel-wise information used in the forward propagation, and (2) the uncertainty of the input reconstruction, to measure input information contained by a specific layer from two perspectives. Unlike previous attribution metrics, the proposed metrics ensure the fairness of comparisons between different layers of different DNNs. We can use these metrics to analyze the efficiency of information processing in DNNs, which exhibits strong connections to the performance of DNNs. We analyze information discarding in a pixel-wise manner, which is different from the information bottleneck theory measuring feature information w.r.t. the sample distribution. Experiments have shown the effectiveness of our metrics in analyzing classic DNNs and explaining existing deep-learning techniques.

Machine unlearning aims to make a model forget specific data, yet unlearned LLMs often fail to stay unlearned: brief fine-tuning can revive removed knowledge. Existing robustness predictors rely on global weight-space displacement, but distance alone can be misleading when random or destructive updates collapse performance. We argue that relearning robustness depends on update structure: robust unlearning should affect forget-critical weights while sparing retain-critical ones. We introduce the Forget-Retain Alignment Gap (FRAG), a training-free predictor that scores an update's forget-retain alignment without running a relearning attack, and separates selective from dense updates more reliably than global distance. Building on the forget-critical, retain-sparing principle, Forget-Retain Pruning (FRP) improves relearning robustness. Our results suggest that weight selectivity better explains robustness than distance alone. Code is available at https://github.com/Yi1-Chen/FRAG.