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Deep Learning · Large Language Models

Jasper Dekoninck, Maximilian Baader, Martin Vechev

The availability of a wide range of large language models (LLMs) embedded in various agentic systems has significantly increased the potential of model selection strategies to improve the cost-performance tradeoff. Existing strategies involve either routing, where a single model is chosen per query, or cascading, which sequentially runs increasingly larger models until a satisfactory answer is found. However, current approaches face three key limitations: they (1) lack formal proofs of optimality, (2) fail to identify the conditions under which these strategies are most effective to improve the cost-performance tradeoff, and (3) are unable to combine both paradigms for further improvements. To address these issues, we first derive a novel optimal strategy for cascading and prove the optimality of an existing routing strategy. Further, we propose *cascade routing*, a unified framework that integrates routing and cascading into a theoretically optimal strategy. Through our analysis, we identify good quality estimators as the critical factor for the success of model selection paradigms. Finally, in our experiments, we show that cascade routing consistently outperforms the individual approaches by a large margin and we analyze quality estimators to determine when routing and/or cascading are useful paradigms for model selection.

Deep Learning · Large Language Models

Jusheng Zhang, Zimeng Huang, Yijia Fan, Ningyuan Liu, Mingyan Li, Zhuojie Yang, Jiawei Yao, Jian Wang, Keze Wang

As scaling large language models faces prohibitive costs, multi-agent systems emerge as a promising alternative, though challenged by static knowledge assumptions and coordination inefficiencies. We introduce Knowledge-Aware Bayesian Bandits (KABB), a novel framework that enhances multi-agent system coordination through semantic understanding and dynamic adaptation. The framework features three key innovations: a customized knowledge distance model for deep semantic understanding, a dual-adaptation mechanism for continuous expert optimization, and a knowledge-aware Thompson Sampling strategy for efficient expert selection. Extensive evaluation demonstrates KABB achieves an optimal cost-performance balance, maintaining high performance while keeping computational demands relatively low in multi-agent coordination.

Deep Learning · Large Language Models

Vincent-Pierre Berges, Barlas Oğuz, Daniel HAZIZA, Scott Yih, Luke Zettlemoyer, Gargi Ghosh

Memory layers use a trainable key-value lookup mechanism to add extra parameters to a model without increasing FLOPs. Conceptually, sparsely activated memory layers complement compute-heavy dense feed-forward layers, providing dedicated capacity to store and retrieve information cheaply. This work takes memory layers beyond proof-of-concept, proving their utility at contemporary scale. On downstream tasks, language models augmented with our improved memory layer outperform dense models with more than twice the computation budget, as well as mixture-of-expert models when matched for both compute and parameters. We find gains are especially pronounced for factual tasks. We provide a fully parallelizable memory layer implementation, demonstrating scaling laws with up to 128B memory parameters, pretrained to 1 trillion tokens, comparing to base models with up to 8B parameters.

Optimization · Convex

Abdel-Rahim Mezidi, Jordan Patracone, Saverio Salzo, Amaury Habrard, Massimiliano Pontil, Rémi Emonet, Marc Sebban

We present several advances on neural operators by viewing the action of operator layers as the minimizers of Bregman regularized optimization problems over Banach function spaces. The proposed framework allows interpreting the activation operators as Bregman proximity operators from dual to primal space. This novel viewpoint is general enough to recover classical neural operators as well as a new variant, coined Bregman neural operators, which includes the inverse activation operator and features the same expressivity of standard neural operators. Numerical experiments support the added benefits of the Bregman variant of Fourier neural operators for training deeper and more accurate models.

General Machine Learning · Sequential, Network, and Time Series Modeling

Ruoxin Yuan, Guanhua Fang

This work introduces Residual TPP, a novel, unified, and lightweight approach for analyzing event stream data. It leverages the strengths of both simple statistical TPPs and expressive neural TPPs to achieve superior performance. Specifically, we propose the Residual Events Decomposition (RED) technique in temporal point processes, which defines a weight function to quantify how well the intensity function captures the event characteristics. The RED serves as a flexible, plug-and-play module that can be integrated with any TPP model in a wide range of tasks. It enables the identification of events for which the intensity function provides a poor fit, referred to as residual events. By combining RED with a Hawkes process, we capture the self-exciting nature of the data and identify residual events. Then an arbitrary neural TPP is employed to take care of residual events. Extensive experimental results demonstrate that Residual TPP consistently achieves state-of-the-art goodness-of-fit and prediction performance in multiple domains and offers significant computational advantages as well.

General Machine Learning · Sequential, Network, and Time Series Modeling

Annie Marsden, Evan Dogariu, Naman Agarwal, Xinyi Chen, Daniel Suo, Elad Hazan

We consider the problem of length generalization in sequence prediction. We define a new metric of performance in this setting – the Asymmetric-Regret– which measures regret against a benchmark predictor with longer context length than available to the learner. We continue by studying this concept through the lens of the spectral filter-ing algorithm. We present a gradient-based learn-ing algorithm that provably achieves length generalization for linear dynamical systems. We conclude with proof-of-concept experiments which are consistent with our theory.

Deep Learning · Large Language Models

Baohao Liao, Yuhui Xu, Hanze Dong, Junnan Li, Christof Monz, Silvio Savarese, Doyen Sahoo, Caiming Xiong

We introduce Reward-Guided Speculative Decoding (RSD), a novel framework aimed at improving the efficiency of inference in large language models (LLMs). RSD synergistically combines a lightweight draft model with a more powerful target model, incorporating a controlled bias to prioritize high-reward outputs, in contrast to existing speculative decoding methods that enforce strict unbiasedness.RSD employs a process reward model to evaluate intermediate decoding steps and dynamically decide whether to invoke the target model, optimizing the trade-off between computational cost and output quality. We theoretically demonstrate that a threshold-based mixture strategy achieves an optimal balance between resource utilization and performance. Extensive evaluations on challenging reasoning benchmarks, including Olympiad-level tasks, show that RSD delivers significant efficiency gains against decoding with the target model only (up to 4.4X fewer FLOPs), while achieving significant better accuracy than parallel decoding method on average (up to +3.5). These results highlight RSD as a robust and cost-effective approach for deploying LLMs in resource-intensive scenarios.

Applications · Computer Vision

Yujun Huang, Bin Chen, Niu Lian, Xin Wang, Baoyi An, Tao Dai, Shutao Xia

Existing multi-view image compression methods often rely on 2D projection-based similarities between views to estimate disparities. While effective for small disparities, such as those in stereo images, these methods struggle with the more complex disparities encountered in wide-baseline multi-camera systems, commonly found in virtual reality and autonomous driving applications. To address this limitation, we propose 3D-LMVIC, a novel learning-based multi-view image compression framework that leverages 3D Gaussian Splatting to derive geometric priors for accurate disparity estimation. Furthermore, we introduce a depth map compression model to minimize geometric redundancy across views, along with a multi-view sequence ordering strategy based on a defined distance measure between views to enhance correlations between adjacent views. Experimental results demonstrate that 3D-LMVIC achieves superior performance compared to both traditional and learning-based methods. Additionally, it significantly improves disparity estimation accuracy over existing two-view approaches.

Applications · Chemistry, Physics, and Earth Sciences

Ruizhe Chen, Dongyu Xue, Xiangxin Zhou, Zaixiang Zheng, xiangxiang Zeng, Quanquan Gu

Proteins typically exist in complexes, interacting with other proteins or biomolecules to perform their specific biological roles. Research on single-chain protein modeling has been extensively and deeply explored, with advancements seen in models like the series of ESM and AlphaFold2. Despite these developments, the study and modeling of multi-chain proteins remain largely uncharted, though they are vital for understanding biological functions. Recognizing the importance of these interactions, we introduce APM (all-Atom Protein generative Model), a model specifically designed for modeling multi-chain proteins. By integrating atom-level information and leveraging data on multi-chain proteins, APM is capable of precisely modeling inter-chain interactions and designing protein complexes with binding capabilities from scratch. It also performs folding and inverse-folding tasks for multi-chain proteins. Moreover, APM demonstrates versatility in downstream applications: it achieves enhanced performance through supervised fine-tuning (SFT) while also supporting zero-shot sampling in certain tasks, achieving state-of-the-art results. We released our code at https://github.com/bytedance/apm.

Applications · Computer Vision

Yuhuan Yang, Chaofan Ma, Zhenjie Mao, Jiangchao Yao, Ya Zhang, Yanfeng Wang

Video understanding is a complex challenge that requires effective modeling of spatial-temporal dynamics. With the success of image foundation models (IFMs) in image understanding, recent approaches have explored parameter-efficient fine-tuning (PEFT) to adapt IFMs for video. However, most of these methods tend to processspatial and temporal information separately,which may fail to capture the full intricacy of video dynamics. In this paper, we propose MoMa, an efficient adapter framework that achieves full spatial-temporal modeling by integrating Mamba's selective state space modeling into IFMs. We propose a novel SeqMod operation to inject spatial-temporal information into pre-trained IFMs, without disrupting their original features. By incorporating SeqMod into a Divide-and-Modulate architecture, MoMa enhances video understanding while maintaining computational efficiency. Extensive experiments on multiple video benchmarks demonstrate the effectiveness of MoMa, achieving superior performance with reduced computational cost. Codes will be released upon publication.

Deep Learning · Generative Models and Autoencoders

Kevin Rojas, Yuchen Zhu, Sichen Zhu, Felix Ye, Molei Tao

Diffusion models have demonstrated remarkable performance in generating unimodal data across various tasks, including image, video, and text generation. On the contrary, the joint generation of multimodal data through diffusion models is still in the early stages of exploration. Existing approaches heavily rely on external preprocessing protocols, such as tokenizers and variational autoencoders, to harmonize varied data representations into a unified, unimodal format. This process heavily demands the high accuracy of encoders and decoders, which can be problematic for applications with limited data. To lift this restriction, we propose a novel framework for building multimodal diffusion models on arbitrary state spaces, enabling native generation of coupled data across different modalities. By introducing an innovative decoupled noise schedule for each modality, we enable both unconditional and modality-conditioned generation within a single model simultaneously. We empirically validate our approach for text-image generation and mixed-type tabular data synthesis, demonstrating that it achieves competitive performance.

Theory · Optimization

Leello Dadi, Volkan Cevher

We study generalization of iterative noisy gradient schemes on smooth non-convex losses. Formally, we establish time-independent information theoretic generalization bounds for Stochastic Gradient Langevin Dynamics (SGLD) that do not diverge as the iteration count increases. Our bounds are obtained through a stability argument: we analyze the difference between two SGLD sequences ran in parallel on two datasets sampled from the same distribution. Our result only requires an isoperimetric inequality to hold, which is merely a restriction on the tails of the loss. Our work relaxes the assumptions of prior work to establish that the iterates stay within a bounded KL divergence from each other. Under an additional dissipativity assumption, we show that the stronger Renyi divergence also stays bounded by establishing a uniform log-Sobolev constant of the iterates. Without dissipativity, we sidestep the need for local log-Sobolev inequalities and instead exploit the regularizing properties of Gaussian convolution. These techniques allow us to show that strong convexity is not necessary for finite stability bounds. Our work shows that noisy SGD can have finite, iteration-independent, generalization and differential privacy bounds in unbounded non-convex settings.

Reinforcement Learning · Multi-agent

Austin Nguyen, Anri Gu, Michael Wellman

Iterative extension of empirical game models through deep reinforcement learning (RL) has proved an effective approach for finding equilibria in complex games. When multiple equilibria exist, we may also be interested in finding solutions with particular characteristics. We address this issue of equilibrium selection in the context of Policy Space Response Oracles (PSRO), a flexible game-solving framework based on deep RL, by skewing the strategy exploration process towards higher-welfare solutions. At each iteration, we create an exploration policy that imitates high welfare-yielding behavior and train a response to the current solution, regularized to be similar to the exploration policy. With no additional simulation expense, our approach, named Ex$^2$PSRO, tends to find higher welfare equilibria than vanilla PSRO in two benchmarks: a sequential bargaining game and a social dilemma game. Further experiments demonstrate Ex$^2$PSRO's composability with other PSRO variants and illuminate the relationship between exploration policy choice and algorithmic performance.

Theory · Learning Theory

Deheng Yuan, Tao Guo, Zhongyi Huang

Consider the communication-constrained problem of nonparametric function estimation, in which each distributed terminal holds multiple i.i.d. samples. Under certain regularity assumptions, we characterize the minimax optimal rates for all regimes, and identify phase transitions of the optimal rates as the samples per terminal vary from sparse to dense. This fully solves the problem left open by previous works, whose scopes are limited to regimes with either dense samples or a single sample per terminal. To achieve the optimal rates, we design a layered estimation protocol by exploiting protocols for the parametric density estimation problem. We show the optimality of the protocol using information-theoretic methods and strong data processing inequalities, and incorporating the classic balls and bins model. The optimal rates are immediate for various special cases such as density estimation, Gaussian, binary, Poisson and heteroskedastic regression models.

Deep Learning · Large Language Models

Weiguo Wang, Andy Nie, Wenrui Zhou, Yi Kai, Chengchen Hu

Large Language Models (LLMs) have shown remarkable capabilities in text and multimodal processing, yet they fundamentally lack physical awareness--understanding of real-world physical phenomena.In this work, we present ACORN, a framework that teaches LLMs physical awareness through sound, focusing on fundamental physical phenomena like the Doppler effect, multipath effect, and spatial relationships. To overcome data scarcity, ACORN introduce a physics-based simulator combining real-world sound sources with controlled physical channels to generate diverse training data. Using this simulator, we build AQA-PHY, a comprehensive Audio Question-Answer dataset, and propose an audio encoder that processes both magnitude and phase information. By connecting our audio encoder to state-of-the-art LLMs, we demonstrate reasonable results in both simulated and real-world tasks, such as line-of-sight detection, Doppler effect estimation, and Direction-of-Arrival estimation, paving the way for enabling LLMs to understand physical world.

Optimization

William de Vazelhes, Xiaotong Yuan, Bin Gu

In sparse optimization, enforcing hard constraints using the $\ell_0$ pseudo-norm offers advantages like controlled sparsity compared to convex relaxations. However, many real-world applications demand not only sparsity constraints but also some extra constraints. While prior algorithms have been developed to address this complex scenario with mixed combinatorial and convex constraints, they typically require the closed form projection onto the mixed constraints which might not exist, and/or only provide local guarantees of convergence which is different from the global guarantees commonly sought in sparse optimization. To fill this gap, in this paper, we study the problem of sparse optimization with extra *support-preserving* constraints commonly encountered in the literature. We present a new variant of iterative hard-thresholding algorithm equipped with a two-step consecutive projection operator customized for these mixed constraints, serving as a simple alternative to the Euclidean projection onto the mixed constraint. By introducing a novel trade-off between sparsity relaxation and sub-optimality, we provide global guarantees in objective value for the output of our algorithm, in the deterministic, stochastic, and zeroth-order settings, under the conventional restricted strong-convexity/smoothness assumptions. As a fundamental contribution in proof techniques, we develop a novel extension of the classic three-point lemma to the considered two-step non-convex projection operator, which allows us to analyze the convergence in objective value in an elegant way that has not been possible with existing techniques. In the zeroth-order case, such technique also improves upon the state-of-the-art result from de Vazelhes et. al. (2022), even in the case without additional constraints, by allowing us to remove a non-vanishing system error present in their work.

Deep Learning · Everything Else

Mingyu Xing, Lechao Cheng, Shengeng Tang, Yaxiong Wang, Zhun Zhong, Meng Wang

We introduce Knowledge Swapping, a novel task designed to selectively regulate knowledge of a pretrained model by enabling the forgetting of user-specified information, retaining essential knowledge, and acquiring new knowledge simultaneously. By delving into the analysis of knock-on feature hierarchy, we find that incremental learning typically progresses from low-level representations to higher-level semantics, whereas forgetting tends to occur in the opposite direction—starting from high-level semantics and moving down to low-level features. Building upon this, we propose to benchmark the knowledge swapping task with the strategy of Learning Before Forgetting. Comprehensive experiments on various tasks like image classification, object detection, and semantic segmentation validate the effectiveness of the proposed strategy. The source code is available at https://github.com/xingmingyu123456/KnowledgeSwapping.

Optimization · Stochastic

Waïss Azizian, Franck Iutzeler, Jérôme Malick, Panayotis Mertikopoulos

In this paper, we examine the time it takes for stochastic gradient descent (SGD) to reach the global minimum of a general, non-convex loss function. We approach this question through the lens of large deviations theory and randomly perturbed dynamical systems, and we provide a tight characterization of the associated hitting times of SGD with matching upper and lower bounds. Our analysis reveals that the global convergence time of SGD is dominated by the most "costly" set of obstacles that the algorithm may need to overcome in order to reach a global minimizer, coupling in this way the geometry of the underlying loss landscape with the statistics of the noise entering the process. Finally, motivated by applications to the training of deep neural networks, we provide a series of refinements and extensions of our analysis to, among others, loss functions with no spurious local minima or ones with bounded depths.

Applications · Computer Vision

Zahra Babaiee, Peyman M. Kiasari, Daniela Rus, Radu Grosu

Recent advancements in multimodal large language models have driven breakthroughs in visual question answering. Yet, a critical gap persists, `conceptualization'—the ability to recognize and reason about the same concept despite variations in visual form, a basic ability of human reasoning. To address this challenge, we introduce the Visual Graph Arena (VGA), a dataset featuring six graph-based tasks designed to evaluate and improve AI systems’ capacity for visual abstraction. VGA uses diverse graph layouts (e.g., Kamada-Kawai vs. planar) to test reasoning independent of visual form. Experiments with state-of-the-art vision models and multimodal LLMs reveal a striking divide: humans achieved near-perfect accuracy across tasks, while models totally failed on isomorphism detection and showed limited success in path/cycle tasks. We further identify behavioral anomalies suggesting pseudo-intelligent pattern matching rather than genuine understanding. These findings underscore fundamental limitations in current AI models for visual understanding. By isolating the challenge of representation-invariant reasoning, the VGA provides a framework to drive progress toward human-like conceptualization in AI visual models. The Visual Graph Arena is available at: \href{https://vga.csail.mit.edu/}{vga.csail.mit.edu}.

Applications · Health / Medicine

Rina Bao, Shilong Dong, Zhenfang Chen, Sheng He, Patricia Ellen Grant, Yangming Ou

Medical Visual Question Answering (MVQA) requires AI models to answer questions related to medical images, offering significant potential to assist medical professionals in evaluating and diagnosing diseases, thereby improving early interventions. However, existing MVQA datasets primarily focus on basic questions regarding visual perception and pattern recognition, without addressing the more complex questions that are critical in clinical diagnosis and decision-making. This paper introduces a new benchmark designed for professional-level medical reasoning, simulating the decision-making process. We achieve this by collecting MRI and clinical data related to Hypoxic-Ischemic Encephalopathy, enriched with expert annotations and insights. Building on this data, we generate clinical question-answer pairs and MRI interpretations to enable comprehensive diagnosis, interpretation, and prediction of neurocognitive outcomes. Our evaluation of current large vision-language models (LVLMs) shows limited performance on this benchmark, highlighting both the challenges of the task and the importance of this benchmark for advancing medical AI. Furthermore, we propose a novel ``Clinical Graph of Thoughts" model, which integrates domain-specific medical knowledge and clinical reasoning processes with the interpretive abilities of LVLMs. The model demonstrates promising results, achieving around 15\% absolute gain on the most important neurocognitive outcome task, while the benchmark still reveals substantial opportunities for further research innovation.