Daily Papers

Chain-of-Thought (CoT) prompting improves LLM accuracy on complex tasks but often increases token usage and inference cost. Existing "Budget Forcing" methods reducing cost via fine-tuning with heuristic length penalties, suppress both essential reasoning and redundant filler. We recast efficient reasoning as a lossy compression problem under the Information Bottleneck (IB) principle, and identify a key theoretical gap when applying naive IB to transformers: attention violates the Markov property between prompt, reasoning trace, and response. To resolve this issue, we model CoT generation under the Conditional Information Bottleneck (CIB) principle, where the reasoning trace Z acts as a computational bridge that contains only the information about the response Y that is not directly accessible from the prompt X. This yields a general Reinforcement Learning objective: maximize task reward while compressing completions under a prior over reasoning traces, subsuming common heuristics (e.g., length penalties) as special cases (e.g., uniform priors). In contrast to naive token-counting-based approaches, we introduce a semantic prior that measures token cost by surprisal under a language model prior. Empirically, our CIB objective prunes cognitive bloat while preserving fluency and logic, improving accuracy at moderate compression and enabling aggressive compression with minimal accuracy drop.

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

Non-parallel many-to-many voice conversion remains an interesting but challenging speech processing task. Recently, AutoVC, a conditional autoencoder based method, achieved excellent conversion results by disentangling the speaker identity and the speech content using information-constraining bottlenecks. However, due to the pure autoencoder training method, it is difficult to evaluate the separation effect of content and speaker identity. In this paper, a novel voice conversion framework, named boldsymbol Text boldsymbol Guided boldsymbol AutoVC(TGAVC), is proposed to more effectively separate content and timbre from speech, where an expected content embedding produced based on the text transcriptions is designed to guide the extraction of voice content. In addition, the adversarial training is applied to eliminate the speaker identity information in the estimated content embedding extracted from speech. Under the guidance of the expected content embedding and the adversarial training, the content encoder is trained to extract speaker-independent content embedding from speech. Experiments on AIShell-3 dataset show that the proposed model outperforms AutoVC in terms of naturalness and similarity of converted speech.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

The Information Bottleneck (IB) principle has emerged as a promising approach for enhancing the generalization, robustness, and interpretability of deep neural networks, demonstrating efficacy across image segmentation, document clustering, and semantic communication. Among IB implementations, the IB Lagrangian method, employing Lagrangian multipliers, is widely adopted. While numerous methods for the optimizations of IB Lagrangian based on variational bounds and neural estimators are feasible, their performance is highly dependent on the quality of their design, which is inherently prone to errors. To address this limitation, we introduce Structured IB, a framework for investigating potential structured features. By incorporating auxiliary encoders to extract missing informative features, we generate more informative representations. Our experiments demonstrate superior prediction accuracy and task-relevant information preservation compared to the original IB Lagrangian method, even with reduced network size.

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

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.

Keyphrase extraction (KPE) is an important task in Natural Language Processing for many scenarios, which aims to extract keyphrases that are present in a given document. Many existing supervised methods treat KPE as sequential labeling, span-level classification, or generative tasks. However, these methods lack the ability to utilize keyphrase information, which may result in biased results. In this study, we propose Diff-KPE, which leverages the supervised Variational Information Bottleneck (VIB) to guide the text diffusion process for generating enhanced keyphrase representations. Diff-KPE first generates the desired keyphrase embeddings conditioned on the entire document and then injects the generated keyphrase embeddings into each phrase representation. A ranking network and VIB are then optimized together with rank loss and classification loss, respectively. This design of Diff-KPE allows us to rank each candidate phrase by utilizing both the information of keyphrases and the document. Experiments show that Diff-KPE outperforms existing KPE methods on a large open domain keyphrase extraction benchmark, OpenKP, and a scientific domain dataset, KP20K.

Frequent interactions between individuals are a fundamental challenge for pose estimation algorithms. Current pipelines either use an object detector together with a pose estimator (top-down approach), or localize all body parts first and then link them to predict the pose of individuals (bottom-up). Yet, when individuals closely interact, top-down methods are ill-defined due to overlapping individuals, and bottom-up methods often falsely infer connections to distant body parts. Thus, we propose a novel pipeline called bottom-up conditioned top-down pose estimation (BUCTD) that combines the strengths of bottom-up and top-down methods. Specifically, we propose to use a bottom-up model as the detector, which in addition to an estimated bounding box provides a pose proposal that is fed as condition to an attention-based top-down model. We demonstrate the performance and efficiency of our approach on animal and human pose estimation benchmarks. On CrowdPose and OCHuman, we outperform previous state-of-the-art models by a significant margin. We achieve 78.5 AP on CrowdPose and 47.2 AP on OCHuman, an improvement of 8.6% and 4.9% over the prior art, respectively. Furthermore, we show that our method has excellent performance on non-crowded datasets such as COCO, and strongly improves the performance on multi-animal benchmarks involving mice, fish and monkeys.

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.

We present JASCO, a temporally controlled text-to-music generation model utilizing both symbolic and audio-based conditions. JASCO can generate high-quality music samples conditioned on global text descriptions along with fine-grained local controls. JASCO is based on the Flow Matching modeling paradigm together with a novel conditioning method. This allows music generation controlled both locally (e.g., chords) and globally (text description). Specifically, we apply information bottleneck layers in conjunction with temporal blurring to extract relevant information with respect to specific controls. This allows the incorporation of both symbolic and audio-based conditions in the same text-to-music model. We experiment with various symbolic control signals (e.g., chords, melody), as well as with audio representations (e.g., separated drum tracks, full-mix). We evaluate JASCO considering both generation quality and condition adherence, using both objective metrics and human studies. Results suggest that JASCO is comparable to the evaluated baselines considering generation quality while allowing significantly better and more versatile controls over the generated music. Samples are available on our demo page https://pages.cs.huji.ac.il/adiyoss-lab/JASCO.

We consider the problem of predicting gene expressions from DNA sequences. A key challenge of this task is to find the regulatory elements that control gene expressions. Here, we introduce Seq2Exp, a Sequence to Expression network explicitly designed to discover and extract regulatory elements that drive target gene expression, enhancing the accuracy of the gene expression prediction. Our approach captures the causal relationship between epigenomic signals, DNA sequences and their associated regulatory elements. Specifically, we propose to decompose the epigenomic signals and the DNA sequence conditioned on the causal active regulatory elements, and apply an information bottleneck with the Beta distribution to combine their effects while filtering out non-causal components. Our experiments demonstrate that Seq2Exp outperforms existing baselines in gene expression prediction tasks and discovers influential regions compared to commonly used statistical methods for peak detection such as MACS3. The source code is released as part of the AIRS library (https://github.com/divelab/AIRS/).

Large Language Models (LLMs) have achieved strong complex reasoning capabilities through Chain-of-Thought (CoT) reasoning. However, their reasoning patterns remain too complicated to analyze. While Sparse Autoencoders (SAEs) have emerged as a powerful tool for interpretability, existing approaches predominantly operate at the token level, creating a granularity mismatch when capturing more critical step-level information, such as reasoning direction and semantic transitions. In this work, we propose step-level sparse autoencoder (SSAE), which serves as an analytical tool to disentangle different aspects of LLMs' reasoning steps into sparse features. Specifically, by precisely controlling the sparsity of a step feature conditioned on its context, we form an information bottleneck in step reconstruction, which splits incremental information from background information and disentangles it into several sparsely activated dimensions. Experiments on multiple base models and reasoning tasks show the effectiveness of the extracted features. By linear probing, we can easily predict surface-level information, such as generation length and first token distribution, as well as more complicated properties, such as the correctness and logicality of the step. These observations indicate that LLMs should already at least partly know about these properties during generation, which provides the foundation for the self-verification ability of LLMs. The code is available at https://github.com/Miaow-Lab/SSAE

We study how the choice of visual perspective affects learning and generalization in the context of physical manipulation from raw sensor observations. Compared with the more commonly used global third-person perspective, a hand-centric (eye-in-hand) perspective affords reduced observability, but we find that it consistently improves training efficiency and out-of-distribution generalization. These benefits hold across a variety of learning algorithms, experimental settings, and distribution shifts, and for both simulated and real robot apparatuses. However, this is only the case when hand-centric observability is sufficient; otherwise, including a third-person perspective is necessary for learning, but also harms out-of-distribution generalization. To mitigate this, we propose to regularize the third-person information stream via a variational information bottleneck. On six representative manipulation tasks with varying hand-centric observability adapted from the Meta-World benchmark, this results in a state-of-the-art reinforcement learning agent operating from both perspectives improving its out-of-distribution generalization on every task. While some practitioners have long put cameras in the hands of robots, our work systematically analyzes the benefits of doing so and provides simple and broadly applicable insights for improving end-to-end learned vision-based robotic manipulation.

Markov processes are widely used mathematical models for describing dynamic systems in various fields. However, accurately simulating large-scale systems at long time scales is computationally expensive due to the short time steps required for accurate integration. In this paper, we introduce an inference process that maps complex systems into a simplified representational space and models large jumps in time. To achieve this, we propose Time-lagged Information Bottleneck (T-IB), a principled objective rooted in information theory, which aims to capture relevant temporal features while discarding high-frequency information to simplify the simulation task and minimize the inference error. Our experiments demonstrate that T-IB learns information-optimal representations for accurately modeling the statistical properties and dynamics of the original process at a selected time lag, outperforming existing time-lagged dimensionality reduction methods.

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for prediction. In this paper, we apply information bottlenecks to analyze the attribution of each feature for prediction on a black-box model. We use BERT as the example and evaluate our approach both quantitatively and qualitatively. We show the effectiveness of our method in terms of attribution and the ability to provide insight into how information flows through layers. We demonstrate that our technique outperforms two competitive methods in degradation tests on four datasets. Code is available at https://github.com/bazingagin/IBA.

Retrieval-augmented generation integrates the capabilities of large language models with relevant information retrieved from an extensive corpus, yet encounters challenges when confronted with real-world noisy data. One recent solution is to train a filter module to find relevant content but only achieve suboptimal noise compression. In this paper, we propose to introduce the information bottleneck theory into retrieval-augmented generation. Our approach involves the filtration of noise by simultaneously maximizing the mutual information between compression and ground output, while minimizing the mutual information between compression and retrieved passage. In addition, we derive the formula of information bottleneck to facilitate its application in novel comprehensive evaluations, the selection of supervised fine-tuning data, and the construction of reinforcement learning rewards. Experimental results demonstrate that our approach achieves significant improvements across various question answering datasets, not only in terms of the correctness of answer generation but also in the conciseness with 2.5% compression rate.

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

The capacity of a neural network to absorb information is limited by its number of parameters. Conditional computation, where parts of the network are active on a per-example basis, has been proposed in theory as a way of dramatically increasing model capacity without a proportional increase in computation. In practice, however, there are significant algorithmic and performance challenges. In this work, we address these challenges and finally realize the promise of conditional computation, achieving greater than 1000x improvements in model capacity with only minor losses in computational efficiency on modern GPU clusters. We introduce a Sparsely-Gated Mixture-of-Experts layer (MoE), consisting of up to thousands of feed-forward sub-networks. A trainable gating network determines a sparse combination of these experts to use for each example. We apply the MoE to the tasks of language modeling and machine translation, where model capacity is critical for absorbing the vast quantities of knowledge available in the training corpora. We present model architectures in which a MoE with up to 137 billion parameters is applied convolutionally between stacked LSTM layers. On large language modeling and machine translation benchmarks, these models achieve significantly better results than state-of-the-art at lower computational cost.

The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods. The implementation is publicly available at https://github.com/Wenxuan52/InformationKoopman.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Conditional computing processes an input using only part of the neural network's computational units. Learning to execute parts of a deep convolutional network by routing individual samples has several advantages: Reducing the computational burden is an obvious advantage. Furthermore, if similar classes are routed to the same path, that part of the network learns to discriminate between finer differences and better classification accuracies can be attained with fewer parameters. Recently, several papers have exploited this idea to take a particular child of a node in a tree-shaped network or to skip parts of a network. In this work, we follow a Trellis-based approach for generating specific execution paths in a deep convolutional neural network. We have designed routing mechanisms that use differentiable information gain-based cost functions to determine which subset of features in a convolutional layer will be executed. We call our method Conditional Information Gain Trellis (CIGT). We show that our conditional execution mechanism achieves comparable or better model performance compared to unconditional baselines, using only a fraction of the computational resources.

Missing values are common in real-world time series, and multivariate time series forecasting with missing values (MTSF-M) has become a crucial area of research for ensuring reliable predictions. To address the challenge of missing data, current approaches have developed an imputation-then-prediction framework that uses imputation modules to fill in missing values, followed by forecasting on the imputed data. However, this framework overlooks a critical issue: there is no ground truth for the missing values, making the imputation process susceptible to errors that can degrade prediction accuracy. In this paper, we conduct a systematic empirical study and reveal that imputation without direct supervision can corrupt the underlying data distribution and actively degrade prediction accuracy. To address this, we propose a paradigm shift that moves away from imputation and directly predicts from the partially observed time series. We introduce Consistency-Regularized Information Bottleneck (CRIB), a novel framework built on the Information Bottleneck principle. CRIB combines a unified-variate attention mechanism with a consistency regularization scheme to learn robust representations that filter out noise introduced by missing values while preserving essential predictive signals. Comprehensive experiments on four real-world datasets demonstrate the effectiveness of CRIB, which predicts accurately even under high missing rates. Our code is available in https://github.com/Muyiiiii/CRIB.

Large Language Models (LLMs) exhibit a troubling duality, capable of both remarkable generalization and brittle, verbatim memorization of their training data. This unpredictability undermines their reliability in high-stakes applications. In this work, we propose a unified framework to understand, identify, and control these distinct reasoning modes. First, we introduce a theoretical model based on the Information Bottleneck (IB) principle, formalizing generalization as the learning of a compressed, task-relevant representation and memorization as a failure to compress. Building on this theory, we develop Dynamic Mode Steering (DMS), a novel inference-time algorithm which comprises two components: (1) a lightweight, causally-grounded linear probe that identifies the model's instantaneous reliance on memorization, and (2) a dynamic activation steering mechanism that nudges the model's computation towards pre-identified generalization circuits. We frame DMS as a form of adaptive, self-contrastive decoding. Experiments on reasoning and faithfulness tasks demonstrate that DMS significantly improves logical consistency and factual accuracy, thereby offering a principled approach to enhancing LLM reliability.

We propose Conditional Adapter (CoDA), a parameter-efficient transfer learning method that also improves inference efficiency. CoDA generalizes beyond standard adapter approaches to enable a new way of balancing speed and accuracy using conditional computation. Starting with an existing dense pretrained model, CoDA adds sparse activation together with a small number of new parameters and a light-weight training phase. Our experiments demonstrate that the CoDA approach provides an unexpectedly efficient way to transfer knowledge. Across a variety of language, vision, and speech tasks, CoDA achieves a 2x to 8x inference speed-up compared to the state-of-the-art Adapter approaches with moderate to no accuracy loss and the same parameter efficiency.

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.

Multimodal learning significantly benefits cancer survival prediction, especially the integration of pathological images and genomic data. Despite advantages of multimodal learning for cancer survival prediction, massive redundancy in multimodal data prevents it from extracting discriminative and compact information: (1) An extensive amount of intra-modal task-unrelated information blurs discriminability, especially for gigapixel whole slide images (WSIs) with many patches in pathology and thousands of pathways in genomic data, leading to an ``intra-modal redundancy" issue. (2) Duplicated information among modalities dominates the representation of multimodal data, which makes modality-specific information prone to being ignored, resulting in an ``inter-modal redundancy" issue. To address these, we propose a new framework, Prototypical Information Bottlenecking and Disentangling (PIBD), consisting of Prototypical Information Bottleneck (PIB) module for intra-modal redundancy and Prototypical Information Disentanglement (PID) module for inter-modal redundancy. Specifically, a variant of information bottleneck, PIB, is proposed to model prototypes approximating a bunch of instances for different risk levels, which can be used for selection of discriminative instances within modality. PID module decouples entangled multimodal data into compact distinct components: modality-common and modality-specific knowledge, under the guidance of the joint prototypical distribution. Extensive experiments on five cancer benchmark datasets demonstrated our superiority over other methods.

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 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.

Adversarial examples, generated by carefully crafted perturbation, have attracted considerable attention in research fields. Recent works have argued that the existence of the robust and non-robust features is a primary cause of the adversarial examples, and investigated their internal interactions in the feature space. In this paper, we propose a way of explicitly distilling feature representation into the robust and non-robust features, using Information Bottleneck. Specifically, we inject noise variation to each feature unit and evaluate the information flow in the feature representation to dichotomize feature units either robust or non-robust, based on the noise variation magnitude. Through comprehensive experiments, we demonstrate that the distilled features are highly correlated with adversarial prediction, and they have human-perceptible semantic information by themselves. Furthermore, we present an attack mechanism intensifying the gradient of non-robust features that is directly related to the model prediction, and validate its effectiveness of breaking model robustness.

This paper explores the relationship between the condition number of a neural network's weight tensor and the extent of information encoded by the associated processing unit, viewed through the lens of information theory. It argues that a high condition number, though not sufficient for effective knowledge encoding, may indicate that the unit has learned to selectively amplify and compress information. This intuition is formalized for linear units with Gaussian inputs, linking the condition number and the transformation's log-volume scaling factor to the characteristics of the output entropy and the geometric properties of the learned transformation. The analysis demonstrates that for a fixed weight norm, a concentrated distribution of singular values (high condition number) corresponds to reduced overall information transfer, indicating a specialized and efficient encoding strategy. Furthermore, the linear stage entropy bound provides an upper limit on post-activation information for contractive, element-wise nonlinearities, supporting the condition number as a scale-invariant proxy for encoding capacity in practical neural networks. An empirical case study applies these principles to guide selective fine-tuning of Large Language Models for both a new task and a new input modality. The experiments show that the proposed method, named KappaTune, effectively mitigates catastrophic forgetting. Unlike many existing catastrophic forgetting mitigation methods that rely on access to pre-training statistics, which are often unavailable, this selective fine-tuning approach offers a way to bypass this common requirement.

Despite widespread adoption, multimodal large language models (MLLMs) suffer performance degradation when encountering unfamiliar queries under distribution shifts. Existing methods to improve MLLM generalization typically require either more instruction data or larger advanced model architectures, both of which incur non-trivial human labor or computational costs. In this work, we take an alternative approach to enhance the robustness of MLLMs under distribution shifts, from a representation learning perspective. Inspired by the information bottleneck (IB) principle, we derive a variational lower bound of the IB for MLLMs and devise a practical implementation, Visual Instruction Bottleneck Tuning (Vittle). We then provide a theoretical justification of Vittle by revealing its connection to an information-theoretic robustness metric of MLLM. Empirical validation of three MLLMs on open-ended and closed-form question answering and object hallucination detection tasks over 45 datasets, including 30 shift scenarios, demonstrates that Vittle consistently improves the MLLM's robustness under shifts by pursuing the learning of a minimal sufficient representation.

A variety of Auto-Regressive Video Diffusion Models (ARVDM) have achieved remarkable successes in generating realistic long-form videos. However, theoretical analyses of these models remain scant. In this work, we develop theoretical underpinnings for these models and use our insights to improve the performance of existing models. We first develop Meta-ARVDM, a unified framework of ARVDMs that subsumes most existing methods. Using Meta-ARVDM, we analyze the KL-divergence between the videos generated by Meta-ARVDM and the true videos. Our analysis uncovers two important phenomena inherent to ARVDM -- error accumulation and memory bottleneck. By deriving an information-theoretic impossibility result, we show that the memory bottleneck phenomenon cannot be avoided. To mitigate the memory bottleneck, we design various network structures to explicitly use more past frames. We also achieve a significantly improved trade-off between the mitigation of the memory bottleneck and the inference efficiency by compressing the frames. Experimental results on DMLab and Minecraft validate the efficacy of our methods. Our experiments also demonstrate a Pareto-frontier between the error accumulation and memory bottleneck across different methods.

Scaling the number of parameters and the size of training data has proven to be an effective strategy for improving large language model (LLM) performance. Yet, as these models grow increasingly powerful and widely deployed, the cost of inference has become a pressing concern. Despite its importance, the trade-off between model accuracy and inference efficiency remains underexplored. In this work, we examine how key architectural factors, hidden size, the allocation of parameters between MLP and attention (mlp-to-attention ratio), and grouped-query attention (GQA), influence both inference cost and accuracy. We introduce a conditional scaling law that augments the Chinchilla framework with architectural information, along with a search framework for identifying architectures that are simultaneously inference-efficient and accurate. To validate our approach, we train more than 200 models spanning 80M to 3B parameters and 8B to 100B training tokens, and fit the proposed conditional scaling law. Our results show that the conditional scaling law reliably predicts optimal architectural choices and that the resulting models outperform existing open-source baselines. Under the same training budget, optimized architectures achieve up to 2.1% higher accuracy and 42% greater inference throughput compared to LLaMA-3.2.

Chain-of-Thought (CoT) prompting helps Large Language Models (LLMs) tackle complex reasoning by eliciting explicit step-by-step rationales. However, CoT's verbosity increases latency and memory usage and may propagate early errors across long chains. We propose the Reasoning Capsule (R-Capsule), a framework that aims to combine the efficiency of latent reasoning with the transparency of explicit CoT. The core idea is to compress the high-level plan into a small set of learned latent tokens (a Reasoning Capsule) while keeping execution steps lightweight or explicit. This hybrid approach is inspired by the Information Bottleneck (IB) principle, where we encourage the capsule to be approximately minimal yet sufficient for the task. Minimality is encouraged via a low-capacity bottleneck, which helps improve efficiency. Sufficiency is encouraged via a dual objective: a primary task loss for answer accuracy and an auxiliary plan-reconstruction loss that encourages the capsule to faithfully represent the original textual plan. The reconstruction objective helps ground the latent space, thereby improving interpretability and reducing the use of uninformative shortcuts. Our framework strikes a balance between efficiency, accuracy, and interpretability, thereby reducing the visible token footprint of reasoning while maintaining or improving accuracy on complex benchmarks. Our codes are available at: https://anonymous.4open.science/r/Reasoning-Capsule-7BE0

Deep neural networks tend to exhibit a bias toward low-rank solutions during training, implicitly learning low-dimensional feature representations. This paper investigates how deep multilayer perceptrons (MLPs) encode these feature manifolds and connects this behavior to the Information Bottleneck (IB) theory. We introduce the concept of local rank as a measure of feature manifold dimensionality and demonstrate, both theoretically and empirically, that this rank decreases during the final phase of training. We argue that networks that reduce the rank of their learned representations also compress mutual information between inputs and intermediate layers. This work bridges the gap between feature manifold rank and information compression, offering new insights into the interplay between information bottlenecks and representation learning.

Despite their great success, there is still no comprehensive theoretical understanding of learning with Deep Neural Networks (DNNs) or their inner organization. Previous work proposed to analyze DNNs in the Information Plane; i.e., the plane of the Mutual Information values that each layer preserves on the input and output variables. They suggested that the goal of the network is to optimize the Information Bottleneck (IB) tradeoff between compression and prediction, successively, for each layer. In this work we follow up on this idea and demonstrate the effectiveness of the Information-Plane visualization of DNNs. Our main results are: (i) most of the training epochs in standard DL are spent on {\emph compression} of the input to efficient representation and not on fitting the training labels. (ii) The representation compression phase begins when the training errors becomes small and the Stochastic Gradient Decent (SGD) epochs change from a fast drift to smaller training error into a stochastic relaxation, or random diffusion, constrained by the training error value. (iii) The converged layers lie on or very close to the Information Bottleneck (IB) theoretical bound, and the maps from the input to any hidden layer and from this hidden layer to the output satisfy the IB self-consistent equations. This generalization through noise mechanism is unique to Deep Neural Networks and absent in one layer networks. (iv) The training time is dramatically reduced when adding more hidden layers. Thus the main advantage of the hidden layers is computational. This can be explained by the reduced relaxation time, as this it scales super-linearly (exponentially for simple diffusion) with the information compression from the previous layer.

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.

Transformer LLMs have been shown to exhibit strong reasoning ability that scales with inference-time compute, most prominently through token-space "thinking" chains of thought. A growing line of work pushes extra computation into the model's latent space, which we term Auxiliary Latent-Space Computation (ALSC). Existing ALSC methods largely fall into three buckets: (i) token-mediated latent rollouts, (ii) residual/activation steering, and (iii) memory (KV) compression. An underexplored alternative is memory consolidation/reconsolidation, two processes in the brain that are responsible for stabilising newly formed memory traces, and, upon recall, transiently rendering established traces plastic such they can integrate new contextual information before restabilising. In Transformer LLMs, this can be seen as analogous to performing in-place rewrites of new KV segments, and rewrites of recalled past segments. In this work, we give a theoretical justification as to why memory (re)consolidation via KV cache rewrites is beneficial for improved reasoning. We do this through the lens of Information Bottleneck (IB) theory, which posits that model generalisation emerges from an optimal balance between input information compression and retention of predictive information in latent representations. We then introduce the Bottlenecked Transformer, which augments a backbone LLM with a Cache Processor, an auxiliary Transformer that performs periodic, non-causal, in-place KV rewrites at newline-delimited reasoning step boundaries. The Processor consolidates recently written KV entries and reconsolidates a small, top-k attention-selected set of prior entries. We evaluate our Bottlenecked Transformer architecture on math reasoning benchmarks. Our model sees consistent performance gains over vanilla Transformers and pause-token augmented baselines, with gains of up to +6.6pp for selected tasks/backbones.

Conditional diffusion models are powerful generative models that can leverage various types of conditional information, such as class labels, segmentation masks, or text captions. However, in many real-world scenarios, conditional information may be noisy or unreliable due to human annotation errors or weak alignment. In this paper, we propose the Coherence-Aware Diffusion (CAD), a novel method that integrates coherence in conditional information into diffusion models, allowing them to learn from noisy annotations without discarding data. We assume that each data point has an associated coherence score that reflects the quality of the conditional information. We then condition the diffusion model on both the conditional information and the coherence score. In this way, the model learns to ignore or discount the conditioning when the coherence is low. We show that CAD is theoretically sound and empirically effective on various conditional generation tasks. Moreover, we show that leveraging coherence generates realistic and diverse samples that respect conditional information better than models trained on cleaned datasets where samples with low coherence have been discarded.

Standard factuality evaluations of LLMs treat all errors alike, obscuring whether failures arise from missing knowledge (empty shelves) or from limited access to encoded facts (lost keys). We propose a behavioral framework that profiles factual knowledge at the level of facts rather than questions, characterizing each fact by whether it is encoded, and then by how accessible it is: cannot be recalled, can be directly recalled, or can only be recalled with inference-time computation (thinking). To support such profiling, we introduce WikiProfile, a new benchmark constructed via an automated pipeline with a prompted LLM grounded in web search. Across 4 million responses from 13 LLMs, we find that encoding is nearly saturated in frontier models on our benchmark, with GPT-5 and Gemini-3 encoding 95--98% of facts. However, recall remains a major bottleneck: many errors previously attributed to missing knowledge instead stem from failures to access it. These failures are systematic and disproportionately affect long-tail facts and reverse questions. Finally, we show that thinking improves recall and can recover a substantial fraction of failures, indicating that future gains may rely less on scaling and more on methods that improve how models utilize what they already encode.

A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose Conformal Information Pursuit (C-IP), an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.

Conditional computation is a popular strategy to make Transformers more efficient. Existing methods often target individual modules (e.g., mixture-of-experts layers) or skip layers independently of one another. However, interpretability research has demonstrated that the middle layers of Transformers exhibit greater redundancy, and that early layers aggregate information into token positions. Guided by these insights, we propose a novel architecture that dynamically skips a variable number of layers from the middle outward. In particular, a learned gating mechanism determines whether to bypass a symmetric span of central blocks based on the input, and a gated attention mechanism prevents subsequent tokens from attending to skipped token positions. Residual norms are controlled with a 'sandwich' or 'perilayernorm' scheme and gate sparsity with an adaptive regularization loss. We had aimed to reduce compute requirements for 'simpler' tokens and potentially foster an emergent multi-level representational hierarchy but, at the scales investigated, our approach does not achieve improvements in the trade-off between validation cross-entropy and estimated FLOPs compared to dense baselines with fewer layers. We release our code at https://github.com/tim-lawson/skip-middle.

While Mixture-of-Experts (MoE) scales capacity via conditional computation, Transformers lack a native primitive for knowledge lookup, forcing them to inefficiently simulate retrieval through computation. To address this, we introduce conditional memory as a complementary sparsity axis, instantiated via Engram, a module that modernizes classic N-gram embedding for O(1) lookup. By formulating the Sparsity Allocation problem, we uncover a U-shaped scaling law that optimizes the trade-off between neural computation (MoE) and static memory (Engram). Guided by this law, we scale Engram to 27B parameters, achieving superior performance over a strictly iso-parameter and iso-FLOPs MoE baseline. Most notably, while the memory module is expected to aid knowledge retrieval (e.g., MMLU +3.4; CMMLU +4.0), we observe even larger gains in general reasoning (e.g., BBH +5.0; ARC-Challenge +3.7) and code/math domains~(HumanEval +3.0; MATH +2.4). Mechanistic analyses reveal that Engram relieves the backbone's early layers from static reconstruction, effectively deepening the network for complex reasoning. Furthermore, by delegating local dependencies to lookups, it frees up attention capacity for global context, substantially boosting long-context retrieval (e.g., Multi-Query NIAH: 84.2 to 97.0). Finally, Engram establishes infrastructure-aware efficiency: its deterministic addressing enables runtime prefetching from host memory, incurring negligible overhead. We envision conditional memory as an indispensable modeling primitive for next-generation sparse models.

Concept Bottleneck Models (CBMs) promote interpretability by grounding predictions in human-understandable concepts. However, existing CBMs typically fix their task predictor to a single linear or Boolean expression, limiting both predictive accuracy and adaptability to diverse user needs. We propose Mixture of Concept Bottleneck Experts (M-CBEs), a framework that generalizes existing CBMs along two dimensions: the number of experts and the functional form of each expert, exposing an underexplored region of the design space. We investigate this region by instantiating two novel models: Linear M-CBE, which learns a finite set of linear expressions, and Symbolic M-CBE, which leverages symbolic regression to discover expert functions from data under user-specified operator vocabularies. Empirical evaluation demonstrates that varying the mixture size and functional form provides a robust framework for navigating the accuracy-interpretability trade-off, adapting to different user and task needs.

The advent of large language models (LLMs) has revolutionized the field of natural language processing, yet they might be attacked to produce harmful content. Despite efforts to ethically align LLMs, these are often fragile and can be circumvented by jailbreaking attacks through optimized or manual adversarial prompts. To address this, we introduce the Information Bottleneck Protector (IBProtector), a defense mechanism grounded in the information bottleneck principle, and we modify the objective to avoid trivial solutions. The IBProtector selectively compresses and perturbs prompts, facilitated by a lightweight and trainable extractor, preserving only essential information for the target LLMs to respond with the expected answer. Moreover, we further consider a situation where the gradient is not visible to be compatible with any LLM. Our empirical evaluations show that IBProtector outperforms current defense methods in mitigating jailbreak attempts, without overly affecting response quality or inference speed. Its effectiveness and adaptability across various attack methods and target LLMs underscore the potential of IBProtector as a novel, transferable defense that bolsters the security of LLMs without requiring modifications to the underlying models.

Recent deep-learning-based approaches to single-image reflection removal have shown promising advances, primarily for two reasons: 1) the utilization of recognition-pretrained features as inputs, and 2) the design of dual-stream interaction networks. However, according to the Information Bottleneck principle, high-level semantic clues tend to be compressed or discarded during layer-by-layer propagation. Additionally, interactions in dual-stream networks follow a fixed pattern across different layers, limiting overall performance. To address these limitations, we propose a novel architecture called Reversible Decoupling Network (RDNet), which employs a reversible encoder to secure valuable information while flexibly decoupling transmission- and reflection-relevant features during the forward pass. Furthermore, we customize a transmission-rate-aware prompt generator to dynamically calibrate features, further boosting performance. Extensive experiments demonstrate the superiority of RDNet over existing SOTA methods on five widely-adopted benchmark datasets. Our code will be made publicly available.

We present Universal Conditional Logic (UCL), a mathematical framework for prompt optimization that transforms prompt engineering from heuristic practice into systematic optimization. Through systematic evaluation (N=305, 11 models, 4 iterations), we demonstrate significant token reduction (29.8%, t(10)=6.36, p < 0.001, Cohen's d = 2.01) with corresponding cost savings. UCL's structural overhead function O_s(A) explains version-specific performance differences through the Over-Specification Paradox: beyond threshold S* = 0.509, additional specification degrades performance quadratically. Core mechanisms -- indicator functions (I_i in {0,1}), structural overhead (O_s = gamma * sum(ln C_k)), early binding -- are validated. Notably, optimal UCL configuration varies by model architecture -- certain models (e.g., Llama 4 Scout) require version-specific adaptations (V4.1). This work establishes UCL as a calibratable framework for efficient LLM interaction, with model-family-specific optimization as a key research direction.

We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-N, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential for realizing the full potential of test-time scaling because, unlike training, where parameter scaling saturates, test-time accuracy continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.

Autoregressive Transformers rely on Key-Value (KV) caching to accelerate inference. However, the linear growth of the KV cache with context length leads to excessive memory consumption and bandwidth constraints. This bottleneck is particularly problematic in real-time applications -- such as chatbots and interactive assistants -- where low latency and high memory efficiency are critical. Existing methods drop distant tokens or compress states in a lossy manner, sacrificing accuracy by discarding vital context or introducing bias. We propose MorphKV, an inference-time technique that maintains a constant-sized KV cache while preserving accuracy. MorphKV balances long-range dependencies and local coherence during text generation. It eliminates early-token bias while retaining high-fidelity context by adaptively ranking tokens through correlation-aware selection. Unlike heuristic retention or lossy compression, MorphKV iteratively refines the KV cache via lightweight updates guided by attention patterns of recent tokens. This approach captures inter-token correlation with greater accuracy, crucial for tasks like content creation and code generation. Our studies on long-response tasks show 52.9% memory savings and 18.2% higher accuracy on average compared to state-of-the-art prior works, enabling efficient real-world deployment.

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

Reasoning-augmented search agents such as Search-R1, trained via reinforcement learning with verifiable rewards (RLVR), demonstrate remarkable capabilities in multi-step information retrieval from external knowledge sources. These agents address the limitations of their parametric memory by dynamically gathering relevant facts to address complex reasoning tasks. However, existing approaches suffer from a fundamental architectural limitation: they process search queries strictly sequentially, even when handling inherently parallelizable and logically independent comparisons. This sequential bottleneck significantly constrains computational efficiency, particularly for queries that require multiple entity comparisons. To address this critical limitation, we propose ParallelSearch, a novel reinforcement learning framework that empowers large language models (LLMs) to recognize parallelizable query structures and execute multiple search operations concurrently. Our approach introduces dedicated reward functions that incentivize the identification of independent query components while preserving answer accuracy through jointly considering correctness, query decomposition quality, and parallel execution benefits. Comprehensive experiments demonstrate that ParallelSearch outperforms state-of-the-art baselines by an average performance gain of 2.9% across seven question-answering benchmarks. Notably, on parallelizable questions, our method achieves a 12.7% performance improvement while requiring only 69.6% of the LLM calls compared to sequential approaches.

High-throughput drug screening -- using cell imaging or gene expression measurements as readouts of drug effect -- is a critical tool in biotechnology to assess and understand the relationship between the chemical structure and biological activity of a drug. Since large-scale screens have to be divided into multiple experiments, a key difficulty is dealing with batch effects, which can introduce systematic errors and non-biological associations in the data. We propose InfoCORE, an Information maximization approach for COnfounder REmoval, to effectively deal with batch effects and obtain refined molecular representations. InfoCORE establishes a variational lower bound on the conditional mutual information of the latent representations given a batch identifier. It adaptively reweighs samples to equalize their implied batch distribution. Extensive experiments on drug screening data reveal InfoCORE's superior performance in a multitude of tasks including molecular property prediction and molecule-phenotype retrieval. Additionally, we show results for how InfoCORE offers a versatile framework and resolves general distribution shifts and issues of data fairness by minimizing correlation with spurious features or removing sensitive attributes. The code is available at https://github.com/uhlerlab/InfoCORE.

Chart understanding requires models to effectively analyze and reason about numerical data, textual elements, and complex visual components. Our observations reveal that the perception capabilities of existing large vision-language models (LVLMs) constitute a critical bottleneck in this process. In this study, we delve into this perception bottleneck by decomposing it into two components: the vision encoder bottleneck, where the visual representation may fail to encapsulate the correct information, and the extraction bottleneck, where the language model struggles to extract the necessary information from the provided visual representations. Through comprehensive experiments, we find that (1) the information embedded within visual representations is substantially richer than what is typically captured by linear extractors, such as the widely used retrieval accuracy metric; (2) While instruction tuning effectively enhances the extraction capability of LVLMs, the vision encoder remains a critical bottleneck, demanding focused attention and improvement. Therefore, we further enhance the visual encoder to mitigate the vision encoder bottleneck under a contrastive learning framework. Empirical results demonstrate that our approach significantly mitigates the perception bottleneck and improves the ability of LVLMs to comprehend charts. Code is publicly available at https://github.com/hkust-nlp/Vision4Chart.

Agentic language model (LM) systems power modern applications like "Deep Research" and "Claude Code," and leverage multi-LM architectures to overcome context limitations. Beneath their apparent diversity lies a recurring pattern: smaller "compressor" LMs (that can even run locally) distill raw context into compact text that is then consumed by larger "predictor" LMs. Despite their popularity, the design of compressor-predictor systems remains largely ad hoc, with little guidance on how compressor and predictor choices shape downstream performance. In practice, attributing gains to compression versus prediction requires costly, task-specific pairwise sweeps. We argue that these agentic system design questions are, at root, information-theoretic. Viewing the compressor LM as a noisy channel, we introduce a simple estimator of mutual information between the context and its compression to quantify compression quality in a task-independent way. We show that mutual information strongly predicts downstream performance, independent of any specific task. Through an information-theoretic framework, we perform a comprehensive empirical analysis across five datasets and three model families. Results reveal that larger compressors not only are more accurate, but also more token-efficient, conveying more bits of information per token. A 7B Qwen-2.5 compressor, for instance, is 1.6times more accurate, 4.6times more concise, and conveys 5.5times more bits of mutual information per token than its 1.5B sibling. Across datasets, scaling compressors is substantially more effective than scaling predictors, enabling larger on-device compressors to pair with smaller cloud predictors. Applied to a Deep Research system, these principles enable local compressors as small as 3B parameters to recover 99% of frontier-LM accuracy at 26% of API costs.

Large Language Model (LLM)-based search agents have shown remarkable capabilities in solving complex tasks by dynamically decomposing problems and addressing them through interleaved reasoning and retrieval. However, this interleaved paradigm introduces substantial efficiency bottlenecks. First, we observe that both highly accurate and overly approximate retrieval methods degrade system efficiency: exact search incurs significant retrieval overhead, while coarse retrieval requires additional reasoning steps during generation. Second, we identify inefficiencies in system design, including improper scheduling and frequent retrieval stalls, which lead to cascading latency -- where even minor delays in retrieval amplify end-to-end inference time. To address these challenges, we introduce SearchAgent-X, a high-efficiency inference framework for LLM-based search agents. SearchAgent-X leverages high-recall approximate retrieval and incorporates two key techniques: priority-aware scheduling and non-stall retrieval. Extensive experiments demonstrate that SearchAgent-X consistently outperforms state-of-the-art systems such as vLLM and HNSW-based retrieval across diverse tasks, achieving up to 3.4times higher throughput and 5times lower latency, without compromising generation quality. SearchAgent-X is available at https://github.com/tiannuo-yang/SearchAgent-X.

To build an artificial neural network like the biological intelligence system, recent works have unified numerous tasks into a generalist model, which can process various tasks with shared parameters and do not have any task-specific modules. While generalist models achieve promising results on various benchmarks, they have performance degradation on some tasks compared with task-specialized models. In this work, we find that interference among different tasks and modalities is the main factor to this phenomenon. To mitigate such interference, we introduce the Conditional Mixture-of-Experts (Conditional MoEs) to generalist models. Routing strategies under different levels of conditions are proposed to take both the training/inference cost and generalization ability into account. By incorporating the proposed Conditional MoEs, the recently proposed generalist model Uni-Perceiver can effectively mitigate the interference across tasks and modalities, and achieves state-of-the-art results on a series of downstream tasks via prompt tuning on 1% of downstream data. Moreover, the introduction of Conditional MoEs still holds the generalization ability of generalist models to conduct zero-shot inference on new tasks, e.g., video-text retrieval and video caption. Code and pre-trained generalist models shall be released.

In contrastive learning, the choice of ``view'' controls the information that the representation captures and influences the performance of the model. However, leading graph contrastive learning methods generally produce views via random corruption or learning, which could lead to the loss of essential information and alteration of semantic information. An anchor view that maintains the essential information of input graphs for contrastive learning has been hardly investigated. In this paper, based on the theory of graph information bottleneck, we deduce the definition of this anchor view; put differently, the anchor view with essential information of input graph is supposed to have the minimal structural uncertainty. Furthermore, guided by structural entropy, we implement the anchor view, termed SEGA, for graph contrastive learning. We extensively validate the proposed anchor view on various benchmarks regarding graph classification under unsupervised, semi-supervised, and transfer learning and achieve significant performance boosts compared to the state-of-the-art methods.

Humans organize knowledge into compact categories through semantic compression by mapping diverse instances to abstract representations while preserving meaning (e.g., robin and blue jay are both birds; most birds can fly). These concepts reflect a trade-off between expressive fidelity and representational simplicity. Large Language Models (LLMs) demonstrate remarkable linguistic abilities, yet whether their internal representations strike a human-like trade-off between compression and semantic fidelity is unclear. We introduce a novel information-theoretic framework, drawing from Rate-Distortion Theory and the Information Bottleneck principle, to quantitatively compare these strategies. Analyzing token embeddings from a diverse suite of LLMs against seminal human categorization benchmarks, we uncover key divergences. While LLMs form broad conceptual categories that align with human judgment, they struggle to capture the fine-grained semantic distinctions crucial for human understanding. More fundamentally, LLMs demonstrate a strong bias towards aggressive statistical compression, whereas human conceptual systems appear to prioritize adaptive nuance and contextual richness, even if this results in lower compressional efficiency by our measures. These findings illuminate critical differences between current AI and human cognitive architectures, guiding pathways toward LLMs with more human-aligned conceptual representations.

In recent years, Vision Transformer-based approaches for low-level vision tasks have achieved widespread success. Unlike CNN-based models, Transformers are more adept at capturing long-range dependencies, enabling the reconstruction of images utilizing non-local information. In the domain of super-resolution, Swin-transformer-based models have become mainstream due to their capability of global spatial information modeling and their shifting-window attention mechanism that facilitates the interchange of information between different windows. Many researchers have enhanced model performance by expanding the receptive fields or designing meticulous networks, yielding commendable results. However, we observed that it is a general phenomenon for the feature map intensity to be abruptly suppressed to small values towards the network's end. This implies an information bottleneck and a diminishment of spatial information, implicitly limiting the model's potential. To address this, we propose the Dense-residual-connected Transformer (DRCT), aimed at mitigating the loss of spatial information and stabilizing the information flow through dense-residual connections between layers, thereby unleashing the model's potential and saving the model away from information bottleneck. Experiment results indicate that our approach surpasses state-of-the-art methods on benchmark datasets and performs commendably at the NTIRE-2024 Image Super-Resolution (x4) Challenge. Our source code is available at https://github.com/ming053l/DRCT

Concept Bottleneck Models (CBM) are inherently interpretable models that factor model decisions into human-readable concepts. They allow people to easily understand why a model is failing, a critical feature for high-stakes applications. CBMs require manually specified concepts and often under-perform their black box counterparts, preventing their broad adoption. We address these shortcomings and are first to show how to construct high-performance CBMs without manual specification of similar accuracy to black box models. Our approach, Language Guided Bottlenecks (LaBo), leverages a language model, GPT-3, to define a large space of possible bottlenecks. Given a problem domain, LaBo uses GPT-3 to produce factual sentences about categories to form candidate concepts. LaBo efficiently searches possible bottlenecks through a novel submodular utility that promotes the selection of discriminative and diverse information. Ultimately, GPT-3's sentential concepts can be aligned to images using CLIP, to form a bottleneck layer. Experiments demonstrate that LaBo is a highly effective prior for concepts important to visual recognition. In the evaluation with 11 diverse datasets, LaBo bottlenecks excel at few-shot classification: they are 11.7% more accurate than black box linear probes at 1 shot and comparable with more data. Overall, LaBo demonstrates that inherently interpretable models can be widely applied at similar, or better, performance than black box approaches.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.

Concept Bottleneck Models (CBMs) enhance the interpretability of neural networks by basing predictions on human-understandable concepts. However, current CBMs typically rely on concept sets extracted from large language models or extensive image corpora, limiting their effectiveness in data-sparse scenarios. We propose Data-efficient CBMs (DCBMs), which reduce the need for large sample sizes during concept generation while preserving interpretability. DCBMs define concepts as image regions detected by segmentation or detection foundation models, allowing each image to generate multiple concepts across different granularities. This removes reliance on textual descriptions and large-scale pre-training, making DCBMs applicable for fine-grained classification and out-of-distribution tasks. Attribution analysis using Grad-CAM demonstrates that DCBMs deliver visual concepts that can be localized in test images. By leveraging dataset-specific concepts instead of predefined ones, DCBMs enhance adaptability to new domains.

Many computational factors limit broader deployment of large language models. In this paper, we focus on a memory bottleneck imposed by the key-value (KV) cache, a computational shortcut that requires storing previous KV pairs during decoding. While existing KV cache methods approach this problem by pruning or evicting large swaths of relatively less important KV pairs to dramatically reduce the memory footprint of the cache, they can have limited success in tasks that require recollecting a majority of previous tokens. To alleviate this issue, we propose LESS, a simple integration of a (nearly free) constant sized cache with eviction-based cache methods, such that all tokens can be queried at later decoding steps. Its ability to retain information throughout time shows merit on a variety of tasks where we demonstrate LESS can help reduce the performance gap from caching everything, sometimes even matching it, all while being efficient.

Models for low-latency, streaming applications could benefit from the knowledge capacity of larger models, but edge devices cannot run these models due to resource constraints. A possible solution is to transfer hints during inference from a large model running remotely to a small model running on-device. However, this incurs a communication delay that breaks real-time requirements and does not guarantee that both models will operate on the same data at the same time. We propose knowledge boosting, a novel technique that allows a large model to operate on time-delayed input during inference, while still boosting small model performance. Using a streaming neural network that processes 8 ms chunks, we evaluate different speech separation and enhancement tasks with communication delays of up to six chunks or 48 ms. Our results show larger gains where the performance gap between the small and large models is wide, demonstrating a promising method for large-small model collaboration for low-latency applications. Code, dataset, and audio samples available at https://knowledgeboosting.cs.washington.edu/.

While most autoregressive LLMs are constrained to one-by-one decoding, diffusion LLMs (dLLMs) have attracted growing interest for their potential to dramatically accelerate inference through parallel decoding. Despite this promise, the conditional independence assumption in dLLMs causes parallel decoding to ignore token dependencies, inevitably degrading generation quality when these dependencies are strong. However, existing works largely overlook these inherent challenges, and evaluations on standard benchmarks (e.g., math and coding) are not sufficient to capture the quality degradation caused by parallel decoding. To address this gap, we first provide an information-theoretic analysis of parallel decoding. We then conduct case studies on analytically tractable synthetic list operations from both data distribution and decoding strategy perspectives, offering quantitative insights that highlight the fundamental limitations of parallel decoding. Building on these insights, we propose ParallelBench, the first benchmark specifically designed for dLLMs, featuring realistic tasks that are trivial for humans and autoregressive LLMs yet exceptionally challenging for dLLMs under parallel decoding. Using ParallelBench, we systematically analyze both dLLMs and autoregressive LLMs, revealing that: (i) dLLMs under parallel decoding can suffer dramatic quality degradation in real-world scenarios, and (ii) current parallel decoding strategies struggle to adapt their degree of parallelism based on task difficulty, thus failing to achieve meaningful speedup without compromising quality. Our findings underscore the pressing need for innovative decoding methods that can overcome the current speed-quality trade-off. We release our benchmark to help accelerate the development of truly efficient dLLMs.

Practical large language model (LLM) services may involve a long system prompt, which specifies the instructions, examples, and knowledge documents of the task and is reused across numerous requests. However, the long system prompt causes throughput/latency bottlenecks as the cost of generating the next token grows w.r.t. the sequence length. This paper aims to improve the efficiency of LLM services that involve long system prompts. Our key observation is that handling these system prompts requires heavily redundant memory accesses in existing causal attention computation algorithms. Specifically, for batched requests, the cached hidden states (i.e., key-value pairs) of system prompts are transferred from off-chip DRAM to on-chip SRAM multiple times, each corresponding to an individual request. To eliminate such a redundancy, we propose RelayAttention, an attention algorithm that allows reading these hidden states from DRAM exactly once for a batch of input tokens. RelayAttention is a free lunch: it maintains the generation quality while requiring no model retraining, as it is based on a mathematical reformulation of causal attention.

The dominant paradigm for Audio-Text Retrieval (ATR) relies on mini-batch-based contrastive learning. This process, however, is inherently limited by what we formalize as the Gradient Locality Bottleneck (GLB), which structurally prevents models from leveraging out-of-batch knowledge and thus impairs fine-grained and long-tail learning. While external knowledge-enhanced methods can alleviate the GLB, we identify a critical, unaddressed side effect: the Representation-Drift Mismatch (RDM), where a static knowledge base becomes progressively misaligned with the evolving model, turning guidance into noise. To address this dual challenge, we propose the Adaptive Self-improving Knowledge (ASK) framework, a model-agnostic, plug-and-play solution. ASK breaks the GLB via multi-grained knowledge injection, systematically mitigates RDM through dynamic knowledge refinement, and introduces a novel adaptive reliability weighting scheme to ensure consistent knowledge contributes to optimization. Experimental results on two benchmark datasets with superior, state-of-the-art performance justify the efficacy of our proposed ASK framework.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

Autoregressive decoding is bottlenecked by its sequential nature. Speculative decoding has become a standard way to accelerate inference by using a fast draft model to predict upcoming tokens from a slower target model, and then verifying them in parallel with a single target model forward pass. However, speculative decoding itself relies on a sequential dependence between speculation and verification. We introduce speculative speculative decoding (SSD) to parallelize these operations. While a verification is ongoing, the draft model predicts likely verification outcomes and prepares speculations pre-emptively for them. If the actual verification outcome is then in the predicted set, a speculation can be returned immediately, eliminating drafting overhead entirely. We identify three key challenges presented by speculative speculative decoding, and suggest principled methods to solve each. The result is Saguaro, an optimized SSD algorithm. Our implementation is up to 2x faster than optimized speculative decoding baselines and up to 5x faster than autoregressive decoding with open source inference engines.

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).

Augmenting a language model (LM) with k-nearest neighbors (kNN) retrieval on its training data alone can decrease its perplexity, though the underlying reasons for this remains elusive. In this work, we first rule out one previously posited possibility -- the "softmax bottleneck." We further identify the MLP hurdle phenomenon, where the final MLP layer in LMs may impede LM optimization early on. We explore memorization and generalization in language models with two new datasets, where advanced model like GPT-3.5-turbo find generalizing to irrelevant information in the training data challenging. However, incorporating kNN retrieval to vanilla GPT-2 117M can consistently improve performance in this setting.

Large Language models (LLMs) have become a research hotspot. To accelerate the inference of LLMs, storing computed caches in memory has become the standard technique. However, as the inference length increases, growing KV caches might lead to out-of-memory issues. Many existing methods address this issue through KV cache compression, primarily by preserving key tokens throughout all layers to reduce information loss. Most of them allocate a uniform budget size for each layer to retain. However, we observe that the minimum budget sizes needed to retain essential information vary across layers and models based on the perspectives of attention and hidden state output. Building on this observation, this paper proposes a simple yet effective KV cache compression method that leverages layer uncertainty to allocate budget size for each layer. Experimental results show that the proposed method can reduce memory usage of the KV caches to only sim20\% when compared to Full KV inference while achieving nearly lossless performance.

We present a neural framework for learning conditional optimal transport (OT) maps between probability distributions. Our approach introduces a conditioning mechanism capable of processing both categorical and continuous conditioning variables simultaneously. At the core of our method lies a hypernetwork that generates transport layer parameters based on these inputs, creating adaptive mappings that outperform simpler conditioning methods. Comprehensive ablation studies demonstrate the superior performance of our method over baseline configurations. Furthermore, we showcase an application to global sensitivity analysis, offering high performance in computing OT-based sensitivity indices. This work advances the state-of-the-art in conditional optimal transport, enabling broader application of optimal transport principles to complex, high-dimensional domains such as generative modeling and black-box model explainability.

While frontier large language models (LLMs) continue to push capability boundaries, their deployment remains confined to GPU-powered cloud infrastructure. We challenge this paradigm with SmallThinker, a family of LLMs natively designed - not adapted - for the unique constraints of local devices: weak computational power, limited memory, and slow storage. Unlike traditional approaches that mainly compress existing models built for clouds, we architect SmallThinker from the ground up to thrive within these limitations. Our innovation lies in a deployment-aware architecture that transforms constraints into design principles. First, We introduce a two-level sparse structure combining fine-grained Mixture-of-Experts (MoE) with sparse feed-forward networks, drastically reducing computational demands without sacrificing model capacity. Second, to conquer the I/O bottleneck of slow storage, we design a pre-attention router that enables our co-designed inference engine to prefetch expert parameters from storage while computing attention, effectively hiding storage latency that would otherwise cripple on-device inference. Third, for memory efficiency, we utilize NoPE-RoPE hybrid sparse attention mechanism to slash KV cache requirements. We release SmallThinker-4B-A0.6B and SmallThinker-21B-A3B, which achieve state-of-the-art performance scores and even outperform larger LLMs. Remarkably, our co-designed system mostly eliminates the need for expensive GPU hardware: with Q4_0 quantization, both models exceed 20 tokens/s on ordinary consumer CPUs, while consuming only 1GB and 8GB of memory respectively. SmallThinker is publicly available at hf.co/PowerInfer/SmallThinker-4BA0.6B-Instruct and hf.co/PowerInfer/SmallThinker-21BA3B-Instruct.

Recent advances in Reinforcement Learning with Verifiable Rewards (RLVR) for Large Language Model (LLM) reasoning have been hindered by a persistent challenge: exploration collapse. The semantic homogeneity of random rollouts often traps models in narrow, over-optimized behaviors. While existing methods leverage policy entropy to encourage exploration, they face inherent limitations. Global entropy regularization is susceptible to reward hacking, which can induce meaningless verbosity, whereas local token-selective updates struggle with the strong inductive bias of pre-trained models. To address this, we propose Latent Policy Optimization via Iterative Information Bottleneck (IIB-LPO), a novel approach that shifts exploration from statistical perturbation of token distributions to topological branching of reasoning trajectories. IIB-LPO triggers latent branching at high-entropy states to diversify reasoning paths and employs the Information Bottleneck principle both as a trajectory filter and a self-reward mechanism, ensuring concise and informative exploration. Empirical results across four mathematical reasoning benchmarks demonstrate that IIB-LPO achieves state-of-the-art performance, surpassing prior methods by margins of up to 5.3% in accuracy and 7.4% in diversity metrics.

The last layer of neural language models (LMs) projects output features of dimension D to logits in dimension V, the size of the vocabulary, where usually D ll V. This mismatch is known to raise risks of limited expressivity in neural LMs, creating a so-called softmax bottleneck. We show the softmax bottleneck is not only an expressivity bottleneck but also an optimization bottleneck. Backpropagating V-dimensional gradients through a rank-D linear layer induces unavoidable compression, which alters the training feedback provided to the vast majority of the parameters. We present a theoretical analysis of this phenomenon and measure empirically that 95-99% of the gradient norm is suppressed by the output layer, resulting in vastly suboptimal update directions. We conduct controlled pretraining experiments showing that the gradient bottleneck makes trivial patterns unlearnable, and drastically affects the training dynamics of LLMs. We argue that this inherent flaw contributes to training inefficiencies at scale independently of the model architecture, and raises the need for new LM head designs.

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.

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage data-centric techniques to extract effective representations, their performance remains compromised by structural redundancy that induces semantic shifts. To address this dilemma, we propose RedOUT, an unsupervised framework that integrates structural entropy into test-time OOD detection for graph classification. Concretely, we introduce the Redundancy-aware Graph Information Bottleneck (ReGIB) and decompose the objective into essential information and irrelevant redundancy. By minimizing structural entropy, the decoupled redundancy is reduced, and theoretically grounded upper and lower bounds are proposed for optimization. Extensive experiments on real-world datasets demonstrate the superior performance of RedOUT on OOD detection. Specifically, our method achieves an average improvement of 6.7%, significantly surpassing the best competitor by 17.3% on the ClinTox/LIPO dataset pair.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

Recent years have witnessed the rapid advancements of large language models (LLMs) and their expanding applications, leading to soaring demands for computational resources. The widespread adoption of test-time scaling further aggravates the tension between model capability and resource consumption, highlighting the importance of inference efficiency. However, a unified metric that accurately reflects an LLM's efficiency across different model sizes and architectures remains absent. Motivated by the correlation between compression and intelligence, we introduce information capacity, a measure of model efficiency based on text compression performance relative to computational complexity. Larger models can predict the next token more accurately, achieving greater compression gains but at higher computational costs. Empirical evaluations on mainstream open-source models show that models of varying sizes within a series exhibit consistent information capacity. This metric enables a fair efficiency comparison across model series and accurate performance prediction within a model series. A distinctive feature of information capacity is that it incorporates tokenizer efficiency, which affects both input and output token counts but is often neglected in LLM evaluations. We assess the information capacity of 49 models on 5 heterogeneous datasets and observe consistent results on the influences of tokenizer efficiency, pretraining data, and the mixture-of-experts architecture.

The Mixture of Experts (MoE) is an effective architecture for scaling large language models by leveraging sparse expert activation, optimizing the trade-off between performance and efficiency. However, under expert parallelism, MoE suffers from inference inefficiencies due to imbalanced token-to-expert assignment, where some experts are overloaded while others remain underutilized. This imbalance leads to poor resource utilization and increased latency, as the most burdened expert dictates the overall delay, a phenomenon we define as the \textit{Straggler Effect}. To mitigate this, we propose Capacity-Aware Inference, including two key techniques: (1) \textit{Capacity-Aware Token Drop}, which discards overloaded tokens to regulate the maximum latency of MoE, and (2) \textit{Capacity-Aware Token Reroute}, which reallocates overflowed tokens to underutilized experts, balancing the token distribution. These techniques collectively optimize both high-load and low-load expert utilization, leading to a more efficient MoE inference pipeline. Extensive experiments demonstrate the effectiveness of our methods, showing significant improvements in inference efficiency, e.g., 0.2\% average performance increase and a 1.94times inference speedup on Mixtral-8times7B-Instruct.

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair (x, y) with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.

Large Language Models (LLMs) are increasingly being deployed on edge devices for long-context settings, creating a growing need for fast and efficient long-context inference. In these scenarios, the Key-Value (KV) cache is the primary bottleneck in terms of both GPU memory and latency, as the full KV cache must be loaded for each decoding step. While speculative decoding is a widely accepted technique to accelerate autoregressive decoding, existing methods often struggle to achieve significant speedups due to inefficient KV cache optimization strategies and result in low acceptance rates. To address these challenges, we propose a novel self-speculative decoding framework, QuantSpec, where the draft model shares the architecture of the target model but employs a hierarchical 4-bit quantized KV cache and 4-bit quantized weights for acceleration. QuantSpec maintains high acceptance rates (>90%) and reliably provides consistent end-to-end speedups upto sim2.5times, outperforming other self-speculative decoding methods that use sparse KV cache for long-context LLM inference. QuantSpec also reduces the memory requirements by sim 1.3times compared to these alternatives.

The recent rise of Large Reasoning Models (LRMs) has significantly improved multi-step reasoning performance, but often at the cost of generating excessively long reasoning chains. This paper revisits the efficiency of such reasoning processes through an information-theoretic lens, revealing a fundamental trade-off between reasoning length and semantic efficiency. We propose two metrics, InfoBias and InfoGain, to quantify divergence from ideal reasoning paths and stepwise information contribution, respectively. Empirical analyses show that longer reasoning chains tend to exhibit higher information bias and diminishing information gain, especially for incorrect answers. Motivated by these findings, we introduce an entropy-based Adaptive Think strategy that dynamically halts reasoning once confidence is sufficiently high, improving efficiency while maintaining competitive accuracy. Compared to the Vanilla Think approach (default mode), our strategy yields a 1.10% improvement in average accuracy and a 50.80% reduction in token usage on QwQ-32B across six benchmark tasks spanning diverse reasoning types and difficulty levels, demonstrating superior efficiency and reasoning performance. These results underscore the promise of entropy-based methods for enhancing both accuracy and cost-effiiciency in large language model deployment.

This paper investigates a novel lossy compression framework operating under logarithmic loss, designed to handle situations where the reconstruction distribution diverges from the source distribution. This framework is especially relevant for applications that require joint compression and retrieval, and in scenarios involving distributional shifts due to processing. We show that the proposed formulation extends the classical minimum entropy coupling framework by integrating a bottleneck, allowing for a controlled degree of stochasticity in the coupling. We explore the decomposition of the Minimum Entropy Coupling with Bottleneck (MEC-B) into two distinct optimization problems: Entropy-Bounded Information Maximization (EBIM) for the encoder, and Minimum Entropy Coupling (MEC) for the decoder. Through extensive analysis, we provide a greedy algorithm for EBIM with guaranteed performance, and characterize the optimal solution near functional mappings, yielding significant theoretical insights into the structural complexity of this problem. Furthermore, we illustrate the practical application of MEC-B through experiments in Markov Coding Games (MCGs) under rate limits. These games simulate a communication scenario within a Markov Decision Process, where an agent must transmit a compressed message from a sender to a receiver through its actions. Our experiments highlight the trade-offs between MDP rewards and receiver accuracy across various compression rates, showcasing the efficacy of our method compared to conventional compression baseline.

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

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.

The R-Learner is a powerful, theoretically-grounded framework for estimating heterogeneous treatment effects, prized for its robustness to nuisance model errors. However, its application to network data, where causal heterogeneity is often graph-dependent, presents a critical challenge to its core assumption of a well-specified final-stage model. In this paper, we conduct a large-scale empirical study to systematically dissect the R-Learner framework on graphs. We provide the first rigorous evidence that the primary driver of performance is the inductive bias of the final-stage CATE estimator, an effect that dominates the choice of nuisance models. Our central finding is the quantification of a catastrophic "representation bottleneck": we prove with overwhelming statistical significance (p < 0.001) that R-Learners with a graph-blind final stage fail completely (MSE > 4.0), even when paired with powerful GNN nuisance models. Conversely, our proposed end-to-end Graph R-Learner succeeds and significantly outperforms a strong, non-DML GNN T-Learner baseline. Furthermore, we identify and provide a mechanistic explanation for a subtle, topology-dependent "nuisance bottleneck," linking it to GNN over-squashing via a targeted "Hub-Periphery Trade-off" analysis. Our findings are validated across diverse synthetic and semi-synthetic benchmarks. We release our code as a reproducible benchmark to facilitate future research on this critical "final-stage bottleneck."

The efficiency of large vision-language models (LVLMs) is constrained by the computational bottleneck of the attention mechanism during the prefill phase and the memory bottleneck of fetching the key-value (KV) cache in the decoding phase, particularly in scenarios involving high-resolution images or videos. Visual content often exhibits substantial redundancy, resulting in highly sparse attention maps within LVLMs. This sparsity can be leveraged to accelerate attention computation or compress the KV cache through various approaches. However, most studies focus on addressing only one of these bottlenecks and do not adequately support dynamic adjustment of sparsity concerning distinct layers or tasks. In this paper, we present ZipVL, an efficient inference framework designed for LVLMs that resolves both computation and memory bottlenecks through a dynamic ratio allocation strategy of important tokens. This ratio is adaptively determined based on the layer-specific distribution of attention scores, rather than fixed hyper-parameters, thereby improving efficiency for less complex tasks while maintaining high performance for more challenging ones. Then we select important tokens based on their normalized attention scores and perform attention mechanism solely on those important tokens to accelerate the prefill phase. To mitigate the memory bottleneck in the decoding phase, we employ mixed-precision quantization to the KV cache, where high-bit quantization is used for caches of important tokens, while low-bit quantization is applied to those of less importance. Our experiments demonstrate that ZipVL can accelerate the prefill phase by 2.6times and reduce GPU memory usage by 50.0%, with a minimal accuracy reduction of only 0.2% on Video-MME benchmark over LongVA-7B model, effectively enhancing the generation efficiency of LVLMs.

Information retrieval in Large Language Models (LLMs) is increasingly recognized as intertwined with generation capabilities rather than mere lookup. While longer contexts are often assumed to improve retrieval, the effects of intra-context interference remain understudied. To address this, we adapt the proactive interference (PI) paradigm from cognitive science, where earlier information disrupts recall of newer updates. In humans, susceptibility to such interference is inversely linked to working memory capacity. We introduce PI-LLM, an evaluation that sequentially streams semantically related key-value updates and queries only the final values. Although these final values are clearly positioned just before the query, LLM retrieval accuracy declines log-linearly toward zero as interference accumulates; errors arise from retrieving previously overwritten values. Attempts to mitigate interference via prompt engineering (e.g., instructing models to ignore earlier input) yield limited success. These findings reveal a fundamental constraint on LLMs' ability to disentangle interference and flexibly manipulate information, suggesting a working memory bottleneck beyond mere context access. This calls for approaches that strengthen models' ability to suppress irrelevant content during retrieval.

Accelerated magnetic resonance (MR) imaging attempts to reduce acquisition time by collecting data below the Nyquist rate. As an ill-posed inverse problem, many plausible solutions exist, yet the majority of deep learning approaches generate only a single solution. We instead focus on sampling from the posterior distribution, which provides more comprehensive information for downstream inference tasks. To do this, we design a novel conditional normalizing flow (CNF) that infers the signal component in the measurement operator's nullspace, which is later combined with measured data to form complete images. Using fastMRI brain and knee data, we demonstrate fast inference and accuracy that surpasses recent posterior sampling techniques for MRI. Code is available at https://github.com/jwen307/mri_cnf/

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.

Concept bottleneck models (CBMs) are a class of interpretable neural network models that predict the target response of a given input based on its high-level concepts. Unlike the standard end-to-end models, CBMs enable domain experts to intervene on the predicted concepts and rectify any mistakes at test time, so that more accurate task predictions can be made at the end. While such intervenability provides a powerful avenue of control, many aspects of the intervention procedure remain rather unexplored. In this work, we develop various ways of selecting intervening concepts to improve the intervention effectiveness and conduct an array of in-depth analyses as to how they evolve under different circumstances. Specifically, we find that an informed intervention strategy can reduce the task error more than ten times compared to the current baseline under the same amount of intervention counts in realistic settings, and yet, this can vary quite significantly when taking into account different intervention granularity. We verify our findings through comprehensive evaluations, not only on the standard real datasets, but also on synthetic datasets that we generate based on a set of different causal graphs. We further discover some major pitfalls of the current practices which, without a proper addressing, raise concerns on reliability and fairness of the intervention procedure.

Image-text retrieval (ITR) is a task to retrieve the relevant images/texts, given the query from another modality. The conventional dense retrieval paradigm relies on encoding images and texts into dense representations using dual-stream encoders, however, it faces challenges with low retrieval speed in large-scale retrieval scenarios. In this work, we propose the lexicon-weighting paradigm, where sparse representations in vocabulary space are learned for images and texts to take advantage of the bag-of-words models and efficient inverted indexes, resulting in significantly reduced retrieval latency. A crucial gap arises from the continuous nature of image data, and the requirement for a sparse vocabulary space representation. To bridge this gap, we introduce a novel pre-training framework, Lexicon-Bottlenecked Language-Image Pre-Training (LexLIP), that learns importance-aware lexicon representations. This framework features lexicon-bottlenecked modules between the dual-stream encoders and weakened text decoders, allowing for constructing continuous bag-of-words bottlenecks to learn lexicon-importance distributions. Upon pre-training with same-scale data, our LexLIP achieves state-of-the-art performance on two benchmark ITR datasets, MSCOCO and Flickr30k. Furthermore, in large-scale retrieval scenarios, LexLIP outperforms CLIP with a 5.5 ~ 221.3X faster retrieval speed and 13.2 ~ 48.8X less index storage memory.

We propose a novel architecture and method of explainable classification with Concept Bottleneck Models (CBMs). While SOTA approaches to Image Classification task work as a black box, there is a growing demand for models that would provide interpreted results. Such a models often learn to predict the distribution over class labels using additional description of this target instances, called concepts. However, existing Bottleneck methods have a number of limitations: their accuracy is lower than that of a standard model and CBMs require an additional set of concepts to leverage. We provide a framework for creating Concept Bottleneck Model from pre-trained multi-modal encoder and new CLIP-like architectures. By introducing a new type of layers known as Concept Bottleneck Layers, we outline three methods for training them: with ell_1-loss, contrastive loss and loss function based on Gumbel-Softmax distribution (Sparse-CBM), while final FC layer is still trained with Cross-Entropy. We show a significant increase in accuracy using sparse hidden layers in CLIP-based bottleneck models. Which means that sparse representation of concepts activation vector is meaningful in Concept Bottleneck Models. Moreover, with our Concept Matrix Search algorithm we can improve CLIP predictions on complex datasets without any additional training or fine-tuning. The code is available at: https://github.com/Andron00e/SparseCBM.

Time Series Imputation (TSI), which aims to recover missing values in temporal data, remains a fundamental challenge due to the complex and often high-rate missingness in real-world scenarios. Existing models typically optimize the point-wise reconstruction loss, focusing on recovering numerical values (local information). However, we observe that under high missing rates, these models still perform well in the training phase yet produce poor imputations and distorted latent representation distributions (global information) in the inference phase. This reveals a critical optimization dilemma: current objectives lack global guidance, leading models to overfit local noise and fail to capture global information of the data. To address this issue, we propose a new training paradigm, Glocal Information Bottleneck (Glocal-IB). Glocal-IB is model-agnostic and extends the standard IB framework by introducing a Global Alignment loss, derived from a tractable mutual information approximation. This loss aligns the latent representations of masked inputs with those of their originally observed counterparts. It helps the model retain global structure and local details while suppressing noise caused by missing values, giving rise to better generalization under high missingness. Extensive experiments on nine datasets confirm that Glocal-IB leads to consistently improved performance and aligned latent representations under missingness. Our code implementation is available in https://github.com/Muyiiiii/NeurIPS-25-Glocal-IB.

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.

Long-context inference in large language models is bottlenecked by Key--Value (KV) cache loading during the decoding stage, where the sequential nature of generation requires repeatedly transferring the KV cache from off-chip High-Bandwidth Memory (HBM) to on-chip Static Random-Access Memory (SRAM) at each step. While Multi-Head Latent Attention (MLA) significantly reduces the total KV cache size, it suffers from a sharding bottleneck during distributed decoding via Tensor Parallelism (TP). Since its single latent head cannot be partitioned, each device is forced to redundantly load the complete KV cache for every token, consuming excessive memory traffic and diminishing TP benefits like weight sharding. In this work, we propose Multi-Head Low-Rank Attention (MLRA), which enables partitionable latent states for efficient 4-way TP decoding. Extensive experiments show that MLRA achieves state-of-the-art perplexity and downstream task performance, while also delivering a 2.8times decoding speedup over MLA. Code is available at https://github.com/SongtaoLiu0823/MLRA. Pretrained weights, along with the training and evaluation data, are available at https://huggingface.co/Soughing/MLRA.

Recent advancements in large language models (LLMs) and their multimodal variants have led to remarkable progress across various domains, demonstrating impressive capabilities and unprecedented potential. In the era of ubiquitous connectivity, leveraging communication networks to distribute intelligence is a transformative concept, envisioning AI-powered services accessible at the network edge. However, pushing large models from the cloud to resource-constrained environments faces critical challenges. Model inference on low-end devices leads to excessive latency and performance bottlenecks, while raw data transmission over limited bandwidth networks causes high communication overhead. This article presents AI Flow, a framework that streamlines the inference process by jointly leveraging the heterogeneous resources available across devices, edge nodes, and cloud servers, making intelligence flow across networks. To facilitate cooperation among multiple computational nodes, the proposed framework explores a paradigm shift in the design of communication network systems from transmitting information flow to intelligence flow, where the goal of communications is task-oriented and folded into the inference process. Experimental results demonstrate the effectiveness of the proposed framework through an image captioning use case, showcasing the ability to reduce response latency while maintaining high-quality captions. This article serves as a position paper for identifying the motivation, challenges, and principles of AI Flow.

The availability of unprecedented unsupervised training data, along with neural scaling laws, has resulted in an unprecedented surge in model size and compute requirements for serving/training LLMs. However, the main performance bottleneck is increasingly shifting to memory bandwidth. Over the past 20 years, peak server hardware FLOPS has been scaling at 3.0x/2yrs, outpacing the growth of DRAM and interconnect bandwidth, which have only scaled at 1.6 and 1.4 times every 2 years, respectively. This disparity has made memory, rather than compute, the primary bottleneck in AI applications, particularly in serving. Here, we analyze encoder and decoder Transformer models and show how memory bandwidth can become the dominant bottleneck for decoder models. We argue for a redesign in model architecture, training, and deployment strategies to overcome this memory limitation.

Large language models exhibit surprising sensitivity to the structure of the prompt, but the mechanisms underlying this sensitivity remain poorly understood. In this work, we conduct an in-depth investigation on a striking case: in multiple-choice question answering, placing context before the questions and options (CQO) outperforms the reverse order (QOC) by over 14%p, consistently over a wide range of models and datasets. Through systematic architectural analysis, we identify causal attention as the core mechanism: in QOC prompts, the causal mask prevents option tokens from attending to context, creating an information bottleneck where context becomes invisible to options.

Dot-product attention mechanism plays a crucial role in modern deep architectures (e.g., Transformer) for sequence modeling, however, na\"ive exact computation of this model incurs quadratic time and memory complexities in sequence length, hindering the training of long-sequence models. Critical bottlenecks are due to the computation of partition functions in the denominator of softmax function as well as the multiplication of the softmax matrix with the matrix of values. Our key observation is that the former can be reduced to a variant of the kernel density estimation (KDE) problem, and an efficient KDE solver can be further utilized to accelerate the latter via subsampling-based fast matrix products. Our proposed KDEformer can approximate the attention in sub-quadratic time with provable spectral norm bounds, while all prior results merely provide entry-wise error bounds. Empirically, we verify that KDEformer outperforms other attention approximations in terms of accuracy, memory, and runtime on various pre-trained models. On BigGAN image generation, we achieve better generative scores than the exact computation with over 4times speedup. For ImageNet classification with T2T-ViT, KDEformer shows over 18times speedup while the accuracy drop is less than 0.5%.

Deep learning techniques have dominated the literature on aspect-based sentiment analysis (ABSA), yielding state-of-the-art results. However, these deep models generally suffer from spurious correlation problems between input features and output labels, which creates significant barriers to robustness and generalization capability. In this paper, we propose a novel Contrastive Variational Information Bottleneck framework (called CVIB) to reduce spurious correlations for ABSA. The proposed CVIB framework is composed of an original network and a self-pruned network, and these two networks are optimized simultaneously via contrastive learning. Concretely, we employ the Variational Information Bottleneck (VIB) principle to learn an informative and compressed network (self-pruned network) from the original network, which discards the superfluous patterns or spurious correlations between input features and prediction labels. Then, self-pruning contrastive learning is devised to pull together semantically similar positive pairs and push away dissimilar pairs, where the representations of the anchor learned by the original and self-pruned networks respectively are regarded as a positive pair while the representations of two different sentences within a mini-batch are treated as a negative pair. To verify the effectiveness of our CVIB method, we conduct extensive experiments on five benchmark ABSA datasets and the experimental results show that our approach achieves better performance than the strong competitors in terms of overall prediction performance, robustness, and generalization.

Retrieval Augmented Generation faces a trade-off: concatenating documents in a long prompt enables multi-document reasoning but creates prefill bottlenecks, while encoding document KV caches separately offers speed but breaks cross-document interaction. We propose Parallel Context-of-Experts Decoding (Pced), a training-free framework that shifts evidence aggregation from the attention mechanism to the decoding. Pced treats retrieved documents as isolated "experts", synchronizing their predictions via a novel retrieval-aware contrastive decoding rule that weighs expert logits against the model prior. This approach recovers cross-document reasoning capabilities without constructing a shared attention across documents.

In large language models like the Generative Pre-trained Transformer, the Mixture of Experts paradigm has emerged as a powerful technique for enhancing model expressiveness and accuracy. However, deploying GPT MoE models for parallel inference on distributed systems presents significant challenges, primarily due to the extensive Alltoall communication required for expert routing and aggregation. This communication bottleneck exacerbates the already complex computational landscape, hindering the efficient utilization of high-performance computing resources. In this paper, we propose a lightweight optimization technique called ExFlow, to largely accelerate the inference of these MoE models. We take a new perspective on alleviating the communication overhead by exploiting the inter-layer expert affinity. Unlike previous methods, our solution can be directly applied to pre-trained MoE models without any fine-tuning or accuracy degradation. By proposing a context-coherent expert parallelism on distributed systems, our design only uses one Alltoall communication to deliver the same functionality while previous methods all require two Alltoalls. By carefully examining the conditional probability in tokens' routing across multiple layers, we proved that pre-trained GPT MoE models implicitly exhibit a strong inter-layer expert affinity. We then design an efficient integer programming model to capture such features and show that by properly placing the experts on corresponding GPUs, we can reduce up to 67% cross-GPU routing latency. Our solution beats the cutting-edge MoE implementations with experts from 8 to 64, with up to 2.2x improvement in inference throughput. We further provide a detailed study of how the model implicitly acquires this expert affinity at the very early training stage and how this affinity evolves and stabilizes during training.

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

Vision Transformers (ViTs) lack the hierarchical inductive biases inherent to Convolutional Neural Networks (CNNs), theoretically allowing them to maintain high-dimensional representations throughout all layers. However, recent observations suggest ViTs often spontaneously manifest a "U-shaped" entropy profile-compressing information in middle layers before expanding it for the final classification. In this work, we demonstrate that this "Inductive Bottleneck" is not an architectural artifact, but a data-dependent adaptation. By analyzing the layer-wise Effective Encoding Dimension (EED) of DINO-trained ViTs across datasets of varying compositional complexity (UC Merced, Tiny ImageNet, and CIFAR-100), we show that the depth of the bottleneck correlates strongly with the semantic abstraction required by the task. We find that while texture-heavy datasets preserve high-rank representations throughout, object-centric datasets drive the network to dampen high-frequency information in middle layers, effectively "learning" a bottleneck to isolate semantic features.

Long-term memory enables large language model agents to tackle complex tasks through historical interactions. However, existing frameworks encounter a fundamental dilemma between compressing redundant information efficiently and maintaining precise retrieval for downstream tasks. To bridge this gap, we propose MemFly, a framework grounded in information bottleneck principles that facilitates on-the-fly memory evolution for LLMs. Our approach minimizes compression entropy while maximizing relevance entropy via a gradient-free optimizer, constructing a stratified memory structure for efficient storage. To fully leverage MemFly, we develop a hybrid retrieval mechanism that seamlessly integrates semantic, symbolic, and topological pathways, incorporating iterative refinement to handle complex multi-hop queries. Comprehensive experiments demonstrate that MemFly substantially outperforms state-of-the-art baselines in memory coherence, response fidelity, and accuracy.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Inference accounts for the majority of latency and energy consumption in large language model (LLM) deployments, often exceeding 90% of total cost. While training-time efficiency has seen extensive progress, runtime optimization remains a key bottleneck, particularly under autoregressive decoding. Existing approaches -- such as pruning, quantization, early exits, and speculative decoding -- often require retraining, architectural changes, or disrupt decoding compatibility. We introduce QuickSilver, a modular, token-level framework that enables semantic adaptivity at inference time without altering model weights or structure. QuickSilver integrates four synergistic mechanisms: (i) Dynamic Token Halting, which halts computation for tokens with converged representations; (ii) KV Cache Skipping, which selectively suppresses memory writes to reduce attention overhead; and (iii) Contextual Token Fusion, which collapses redundant tokens into shared paths to shrink sequence length. Unlike speculative decoding or MoE routing, QuickSilver operates entirely on frozen, dense models and requires no auxiliary networks. Applied to GPT-2 and Llama-2 across WikiText-103 and C4, QuickSilver achieves up to 39.6% FLOP reduction with negligible perplexity degradation (<=0.2).

Recent advances in language modeling consist in pretraining highly parameterized neural networks on extremely large web-mined text corpora. Training and inference with such models can be costly in practice, which incentivizes the use of smaller counterparts. However, it has been observed that smaller models can suffer from saturation, characterized as a drop in performance at some advanced point in training followed by a plateau. In this paper, we find that such saturation can be explained by a mismatch between the hidden dimension of smaller models and the high rank of the target contextual probability distribution. This mismatch affects the performance of the linear prediction head used in such models through the well-known softmax bottleneck phenomenon. We measure the effect of the softmax bottleneck in various settings and find that models based on less than 1000 hidden dimensions tend to adopt degenerate latent representations in late pretraining, which leads to reduced evaluation performance.

Large language models perform near-Bayesian inference yet violate permutation invariance on exchangeable data. We resolve this by showing transformers minimize expected conditional description length (cross-entropy) over orderings, E_pi[ell(Y mid Gamma_pi(X))], which admits a Kolmogorov-complexity interpretation up to additive constants, rather than the permutation-invariant description length ell(Y mid X). This makes them Bayesian in expectation, not in realization. We derive (i) a Quantified Martingale Violation bound showing order-induced deviations scale as O(log n) with constants; (ii) the Expectation-level Decompression Law linking information budgets to reliability for Bernoulli predicates; and (iii) deployable planners (B2T/RoH/ISR) for answer/abstain decisions. Empirically, permutation dispersion follows a+bln n (Qwen2-7B b approx 0.377, Llama-3.1-8B b approx 0.147); permutation mixtures improve ground-truth likelihood/accuracy; and randomized dose-response shows hallucinations drop by sim 0.13 per additional nat. A pre-specified audit with a fixed ISR=1.0 achieves near-0\% hallucinations via calibrated refusal at 24\% abstention. The framework turns hallucinations into predictable compression failures and enables principled information budgeting.

Recent Large Reasoning Models (LRMs), such as DeepSeek-R1 and OpenAI o1, have demonstrated strong performance gains by scaling up the length of Chain-of-Thought (CoT) reasoning during inference. However, a growing concern lies in their tendency to produce excessively long reasoning traces, which are often filled with redundant content (e.g., repeated definitions), over-analysis of simple problems, and superficial exploration of multiple reasoning paths for harder tasks. This inefficiency introduces significant challenges for training, inference, and real-world deployment (e.g., in agent-based systems), where token economy is critical. In this survey, we provide a comprehensive overview of recent efforts aimed at improving reasoning efficiency in LRMs, with a particular focus on the unique challenges that arise in this new paradigm. We identify common patterns of inefficiency, examine methods proposed across the LRM lifecycle, i.e., from pretraining to inference, and discuss promising future directions for research. To support ongoing development, we also maintain a real-time GitHub repository tracking recent progress in the field. We hope this survey serves as a foundation for further exploration and inspires innovation in this rapidly evolving area.

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

Vision-Language Large Models (VLMs) recently become primary backbone of AI, due to the impressive performance. However, their expensive computation costs, i.e., throughput and delay, impede potentials in the real-world scenarios. To achieve acceleration for VLMs, most existing methods focus on the model perspective: pruning, distillation, quantization, but completely overlook the data-perspective redundancy. To fill the overlook, this paper pioneers the severity of data redundancy, and designs one plug-and-play Turbo module guided by information degree to prune inefficient tokens from visual or textual data. In pursuit of efficiency-performance trade-offs, information degree takes two crucial factors into consideration: mutual redundancy and semantic value. Concretely, the former evaluates data duplication between sequential tokens; while the latter evaluates each token by its contribution to the overall semantics. As a result, tokens with high information degree carry less redundancy and stronger semantics. For VLMs' calculation, Turbo works as a user-friendly plug-in that sorts data referring to information degree, utilizing only top-level ones to save costs. Its advantages are multifaceted, e.g., being generally compatible to various VLMs across understanding and generation, simple use without re-training and trivial engineering efforts. On multiple VLMs benchmarks, we fully experiment to demonstrate the good acceleration of Turbo, under negligible performance drop.

Recurrent large language models that compete with Transformers in language modeling perplexity are emerging at a rapid rate (e.g., Mamba, RWKV). Excitingly, these architectures use a constant amount of memory during inference. However, due to the limited memory, recurrent LMs cannot recall and use all the information in long contexts leading to brittle in-context learning (ICL) quality. A key challenge for efficient LMs is selecting what information to store versus discard. In this work, we observe the order in which information is shown to the LM impacts the selection difficulty. To formalize this, we show that the hardness of information recall reduces to the hardness of a problem called set disjointness (SD), a quintessential problem in communication complexity that requires a streaming algorithm (e.g., recurrent model) to decide whether inputted sets are disjoint. We empirically and theoretically show that the recurrent memory required to solve SD changes with set order, i.e., whether the smaller set appears first in-context. Our analysis suggests, to mitigate the reliance on data order, we can put information in the right order in-context or process prompts non-causally. Towards that end, we propose: (1) JRT-Prompt, where context gets repeated multiple times in the prompt, effectively showing the model all data orders. This gives 11.0 pm 1.3 points of improvement, averaged across 16 recurrent LMs and the 6 ICL tasks, with 11.9times higher throughput than FlashAttention-2 for generation prefill (length 32k, batch size 16, NVidia H100). We then propose (2) JRT-RNN, which uses non-causal prefix-linear-attention to process prompts and provides 99% of Transformer quality at 360M params., 30B tokens and 96% at 1.3B params., 50B tokens on average across the tasks, with 19.2times higher throughput for prefill than FA2.

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.

We introduce a novel framework for analyzing sorting algorithms in pairwise ranking prompting (PRP), re-centering the cost model around LLM inferences rather than traditional pairwise comparisons. While classical metrics based on comparison counts have traditionally been used to gauge efficiency, our analysis reveals that expensive LLM inferences overturn these predictions; accordingly, our framework encourages strategies such as batching and caching to mitigate inference costs. We show that algorithms optimal in the classical setting can lose efficiency when LLM inferences dominate the cost under certain optimizations.