论文检索

Optimization · Non-Convex

Huan Li, Yiming Dong, Zhouchen Lin

This paper studies the AdamW-style Shampoo optimizer, an effective implementation of the classical Shampoo that notably won the external tuning track of the AlgoPerf neural network training algorithm competition. Our analysis unifies one-sided and two-sided preconditioning and establishes the convergence rate $\frac{1}{K}\sum_{k=1}^KE[|||\nabla f(X_k)|||]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$ measured by nuclear norm (denoted as $|||\cdot|||$ to display correctly in OpenReview), where $K$ represents the iteration number, $(m,n)$ denotes the size of matrix parameters, and $C$ matches the constant in the optimal convergence rate of SGD. Theoretically, we have $||\nabla f(X)||\leq|||\nabla f(X)|||\leq\sqrt{\min(m,n)}||\nabla f(X)||$ (denote $||\cdot||$ as the Frobenius norm to display correctly in OpenReview), supporting that our convergence rate can be considered to be analogous to the optimal $\frac{1}{K}\sum_{k=1}^K E[||\nabla f(X_k)||]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case of $|||\nabla f(X)|||= \Theta(\sqrt{\min(m,n)})||\nabla f(X)||$ and balanced $m$ and $n$.

Theory · Learning Theory

Xin He, Yuling Jiao, Xiliang Lu, Jerry Yang

We explore the expressive power of Transformers by establishing precise approximation error upper and lower bounds for Hölder class. Specifically, a new approximation upper bound is derived for the standard Transformer architecture equipped with Softmax operators, ReLU activation functions, and residual connections. We prove that a Transformer network composed of at most $\mathcal{O}(\varepsilon^{-{d_{0}}/{\alpha}})$ blocks can approximate any bounded Hölder function with $d_{0}$-dimensional input and smoothness $\alpha\in(0,1]$ under any accuracy $\varepsilon>0$. In the case of approximation lower bounds, leveraging the VC-dimension upper bound, we are the first to rigorously prove that Transformers demand for at least $\mathcal{O}(\varepsilon^{-{d_{0}}/({4\alpha})})$ blocks to achieve the $\varepsilon$ approximation accuracy. As a final step, we extend the derived results for standard Transformers to a general regression task and establish the corresponding excess risk rates demonstrating Transformers' empirical effectiveness in real-world settings.

Applications · Robotics

YIYAO MA, Kai Chen, Zhongxiang Zhou, Zhuheng Song, Dongsheng Xie, Zelong Tan, Rong Xiong, DOU QI

Monocular 3D shape recovery is fundamental to geometric understanding, yet achieving robust generalization across arbitrary viewpoints and unseen object categories remains a significant challenge. In this paper, we present a generalizable deformation learning framework that reconstructs 3D objects by explicitly deforming a category-level shape template to match the target observation. To address complex shape variations between the template and the target, we introduce a geometry-guided feature modeling mechanism. This process first enriches foundation features with template topology to yield a geometry-aware representation, which is then explicitly correlated with the target observation to guide precise deformation. Furthermore, to bridge the disparity between the fixed template and arbitrary target views, we propose a view-adaptive feature aggregation module. This module leverages multi-view template features and their corresponding camera poses to enrich the canonical template representation, ensuring robust feature alignment regardless of the target's perspective. Extensive experiments demonstrate that our approach significantly outperforms state-of-the-art methods in handling large shape variations and diverse viewpoints, exhibiting strong generalization to novel categories and effectively supporting downstream real-world dexterous robotic manipulation tasks.

Applications · Computer Vision

Siqi Luo, Huayu Zheng, Jianghan Shen, Yi Xin, Luxin Xu, Jiyao Liu, Xinyu Zhang, Hang Zhou, Pengyu Xie, Xiaohui Li 等

The paradigm of visual generation is rapidly shifting from single-image conditioning toward multi-image conditioning, making the ability to synthesize and edit images based on multiple visual references a critical capability. Despite this trend, existing benchmarks remain largely limited to single-reference scenarios or narrowly defined tasks, leaving model behavior under complex multi-concept composition insufficiently explored. To bridge this gap, we introduce **MICE-Bench**, a comprehensive benchmark for **M**ulti-reference **I**mage **C**reation and **E**diting. The benchmark is designed around three core principles: 1) heterogeneous concept composition across seven visual dimensions; 2) varying levels of constraint density, ranging from dual-concept to seven-concept configurations; 3) concept-centric data construction and benchmark evaluation, enabling fine-grained analysis of interactions among multiple concepts. MICE-Bench consists of 3,119 high-quality test cases within a unified concept space. Using an 8-dimensional evaluation metric, we systematically evaluate 13 state-of-the-art models. Our results show that although closed-source models maintain a clear performance advantage, all models experience notable degradation in concept consistency and physical realism as concept complexity increases.This indicates that current models rely on superficial composition rather than genuine multi-concept synthesis, highlighting substantial room for future improvement.

Deep Learning · Graph Neural Networks

Haoyue Deng, Menghui Wang, Yunlong Zhou, Jingyi Liu, Ran Zhang, Chunming Hu, Xiao Wang

Graph Mixture-of-Experts (Graph-MoE) offers a way to scale GNNs via adaptive capacity allocation, with the goal of allowing different experts to capture diverse graph patterns. Its effectiveness heavily depends on the coordination between routing decisions and expert specialization. However, through extensive empirical study, we identify two critical phenomena. First, discrimination loss occurs on both the expert and routing sides, where GNN experts become highly homogenized and the router collapses to a small subset of experts, failing to reflect diverse graph semantics. Second, routing uncertainty is prevalent, as existing routers produce uncertain expert assignments for most nodes, and such uncertainty exhibits a strong negative correlation with model performance. To address these issues, we propose C$^2$GMoE, a novel **G**raph-**MoE** framework featuring **C**ontrastive routing and **C**onfidence-aware fusion. We introduce a group-wise contrastive routing strategy that provides explicit guidance for routing optimization by aligning node-level routing decisions with semantic clusters while satisfying load-balancing constraints. Moreover, through a theoretical analysis of generalization error, we develop a confidence-aware fusion mechanism that adaptively reweights expert predictions according to their confidence. Extensive experiments across multiple benchmarks demonstrate the effectiveness of our proposed C$^2$GMoE.

Applications · Health / Medicine

Binghao Liu, Wenzheng Zhao, Zhijie Zheng, Fei Gu

Effective DNA modeling demands the integration of complex patterns such as local motifs, long-range dependencies, and periodic signals. Yet, architectures like CNNs, Transformers, and SSMs are hindered by static or time-domain-exclusive designs, which limit their representational flexibility. To address this, we introduce the **Synergistic Plasticity Unit (SPU)**, a scalable architecture that achieves multi-level plasticity through three synergistic layers. Specifically, SPU integrates a *Locus Plasticity Layer* (LPL) to capture fine-grained local motifs via token-specific convolution operations, while utilizing a *Domain Plasticity Layer* (DPL) to form multi-domain global features by concurrently modeling sequential (time) and spectral (frequency) patterns. Furthermore, it incorporates a *Saliency Plasticity Layer* (SPL) to optimize information flow through dual-axis saliency scoring. Supported by theoretical analysis, extensive empirical validation, and in-depth biological interpretation, this unified design enables SPU to achieve state-of-the-art performance with quasi-linear complexity, establishing a robust and principled paradigm for DNA modeling. Code will be available upon acceptance.

Theory · Optimization

Sumaya Abdul Rahman, Seckhen Cuellar, Ghani Raissov, Mohammad Raza

Natural language interfaces can greatly benefit the accessibility and usability of optimization modeling, and recent advances in large language models (LLMs) show promise in automatically translating textual problem descriptions into executable solver formulations. However, a key challenge for existing approaches is to ensure that the inferred formulation correctly implements the intended task, even if it may execute without errors. We introduce \textsc{VeriSimpl}, a solver–LLM framework for robust natural-language-to-optimization formalization. Our approach is based on the idea of \emph{simplification-based verification}, where the optimization solver is leveraged to generate simplified diagnostic queries about a candidate formulation to allow the LLM to tractably reason about the correctness of the formulation with respect to the task description. We present such simplification strategies along different dimensions with respect to problem constraints and decision variables, which allow the LLM to reason locally under fixed global contexts. Evaluations on a range of optimization benchmarks show how our approach provides consistent improvements in accuracy over existing methods, while also providing a novel high-precision self-verification signal.

Reinforcement Learning · Everything Else

Fabian Wurzberger, Sebastian Gottwald, Zeqiang Zhang, Daniel A Braun

In self-supervised goal-conditioned reinforcement learning (RL) without external rewards, goals are typically specified by observations sampled from experience. However, depending on the observation structure, such a fixed representation of goals may be either too concrete (requiring exact pixel-level matches) or too abstract (involving ambiguous observations). Here we propose the construction of hierarchical latent goal spaces that integrate both concrete and abstract goals. To this end, we use an energy function to learn a partially ordered space, in which a subset relation between observations naturally induces a hierarchy from concrete to abstract goals. This representation enables agents to disambiguate specific states while also generalizing to shared concepts. In experiments on navigation and robotic manipulation, agents trained with our hierarchical goal space achieve higher task success and greater generalization to novel tasks compared to agents limited to purely observational goals.

Optimization · Everything Else

Artem Artemev, Rui Xia, Benjamin M. Boyd, Youjing Yu, Felix Dangel, Guillaume Hennequin, Alberto Bernacchia

Many machine learning techniques rely on approximating a loss function's curvature, but this is notoriously hard to do at the scale of modern deep networks. Surprisingly, no previous work has exploited the curvature constraints that arise from well known weight-space symmetries in loss landscapes. By analytically averaging over group actions that leave the loss invariant, we construct structured Hessian approximations from single gradients that can be tractably estimated, stored, and inverted. The choice of user-specified symmetry group directly governs the trade-off between approximation accuracy and computational cost. Moreover, our framework provides a unifying theoretical lens for viewing existing methods; in particular, a specific choice of symmetry group recovers Shampoo/Muon-like curvature estimates. We validate our method on a range of network architectures, and deploy it to second-order optimization benchmarks, including a small language model. Our curvature estimation framework might find applications in other machine learning problems such as uncertainty estimation, continual learning, compression/pruning, training data attribution, and more.

Reinforcement Learning · Everything Else

Omar Elmansouri, Fathinah Izzati, Mohamed El Amine Seddik, Salem Lahlou

Reinforcement learning from human feedback (RLHF) or verifiable rewards (RLVR), the standard paradigm for aligning LLMs or building recent SOTA reasoning models, is highly sensitive to noise from inconsistent or erroneous rewards. Yet, the interaction between such noise and widely used group-based policy optimization methods remains underexplored. We introduce a noise-robust Group Relative Policy Optimization (GRPO) and Done Right GRPO (Dr.GRPO) framework that explicitly models reward corruption as Bernoulli noise. Our method applies noise correction after estimating reward flip probabilities to debias the learning signal, yielding unbiased gradient estimates. Theoretical analysis shows that group-based methods inherently mitigate individual-level noise, and our correction strategy amplifies this robustness. Empirically, we observe consistent improvements across math and code tasks when applying our noise correction to standard reward model usage, with particular gains of up to 6.7 percentage points in accuracy on math tasks and 1.5 on code tasks under realistic reward model conditions. This work bridges label-noise correction from supervised learning with modern RLHF, offering both theoretical insights and a practical algorithm for noisy real-world deployment.

General Machine Learning · Evaluation

Peiyu Li, Xiuxiu Tang, Si Chen, Ying Cheng, Ronald Metoyer, Ting Hua, Nitesh Chawla

Evaluating large language models (LLMs) typically requires thousands of benchmark items, making the process expensive, slow, and increasingly impractical at scale. Existing evaluation protocols rely on average accuracy over fixed item sets, treating all items as equally informative despite substantial variation in difficulty and discrimination. We introduce ATLAS, an adaptive testing framework based on Item Response Theory (IRT) that estimates model ability using Fisher information–guided item selection. ATLAS reduces the number of required items by up to 90% while maintaining measurement precision. For instance, it matches whole-bank ability estimates using only 41 items (0.157 MAE) on HellaSwag (5,600 items). We further reconstruct accuracy from ATLAS's ability estimates and find that reconstructed accuracies closely match raw accuracies across all five benchmarks, indicating that ability preserves the global performance structure. At the same time, provides finer discrimination within accuracy-equivalent models: among more than 3,000 evaluated models, 23--31% shift by more than 10 rank positions, and models with identical accuracies receive meaningfully different ability estimates. Code and calibrated item banks available at https://anonymous.4open.science/r/ATLAS-3210/README.md.

Applications · Health / Medicine

Boqiang Xu, Wei Zhang, Ding Ma, Jian Liang, Zhenan Sun, Zhen Lei

Operating room (OR) scene graph generation (SGG) enables holistic modeling of OR domains by encoding interactions among medical staff, tools, and equipment as triplet-based structured scene graphs. Although existing OR SGG methods demonstrate satisfactory overall performance, they exhibit substantially lower accuracy on long-tail categories compared to head categories in OR data. We introduce SGG-ICL, a novel framework that represents the first attempt to address the long-tail problem in OR SGG by leveraging in-context learning (ICL). SGG-ICL first identifies long-tail samples via an Adaptive Router module and selectively applies ICL only to these samples. This selective routing strategy enhances performance on long-tail categories without degrading head-category accuracy. Subsequently, SGG-ICL constructs a candidate pool through multimodal retrieval and then employs a trained MLLM Reranker to re-rank the candidates, selecting the most similar examples to the test sample for ICL. The reranker is supervised by IoU scores derived from annotated SGG triplets and exploits rich multimodal information to estimate pairwise sample similarity. Experimental results show that SGG-ICL improves accuracy on long-tail categories by 6.9%, while also achieving a 2.6% improvement in overall accuracy.

Applications · Chemistry, Physics, and Earth Sciences

Jules Berman, Tobias Blickhan, Benjamin Peherstorfer

Many stochastic physical systems evolve smoothly over time in the sense that the distribution of states changes regularly with time. The precise transition from current to next state is often modeled as the interplay of a smooth map and an explicit source of randomness. Stochastic Lifting leverages this premise by attaching an independent, high-dimensional random label to each state transition in the training data and fitting a transition map from the current state and label to the next state using a standard regression loss. The labels act as auxiliary coordinates that let the model represent multiple plausible outcomes for similar current states, avoiding collapse to a mean prediction in the finite-sample size regime. At inference, drawing fresh labels and rolling the map forward generates diverse trajectories with a single network evaluation per time step, with the smoothness bias of the learned map supporting accurate sampling in practice.

Deep Learning · Robustness

Jiayu Xiong, Jing Wang, Qi Zhang, Wanlong Wang, Jun Xue

Real-world multimodal systems must be robust against low-quality data, such as sensor noise, incomplete multimodal data and conflicting inputs. However, existing trustworthy fusion methods rely on the model's own prediction confidence to judge data quality. This creates a circular dependency: when a model is confident but wrong (overconfident), these methods fail to detect the error. To break this loop, we propose Geometry-based Multimodal Fusion (GMF). Instead of relying on predictions, we evaluate reliability by measuring the physical effort required to map input data back to the valid data manifold. We implement this using Diffusion Schrödinger Bridges with Rectified Flow, which allows us to calculate Transport Energy as a direct metric for quality. The logic is simple: valid data sits on the manifold (low energy), while noisy, incomplete data or conflicting data requires high energy to be restored. This geometric metric acts as an independent judge, effectively flagging unreliable inputs even when the classifier is fooled. Extensive experiments demonstrate that GMF significantly improves robustness against severe sensor noise and semantic conflicts compared to confidence-based baselines.

Applications · Neuroscience, Cognitive Science

Emily Cheng, Aditya Vaidya, Richard Antonello

Research has repeatedly demonstrated that intermediate hidden states extracted from large language models and speech audio models predict measured brain response to natural language stimuli. Yet, very little is known about the representation properties that enable this high prediction performance. Why is it the intermediate layers, and not the output layers, that are most effective for this unique and highly general transfer task? We give evidence that the correspondence between speech and language models and the brain derives from shared meaning abstraction and not their next-word prediction properties. In particular, models construct higher-order linguistic features in their middle layers, cued by a peak in the layerwise *intrinsic dimension*, a measure of feature complexity. We show that a layer's intrinsic dimension strongly predicts how well it explains fMRI and ECoG signals; that the relation between intrinsic dimension and brain predictivity arises over model pre-training; and finetuning models to better predict the brain causally increases both representations' intrinsic dimension and their semantic content. Results suggest that semantic richness, high intrinsic dimension, and brain predictivity mirror each other, and that the key driver of model-brain similarity is *rich meaning abstraction* of the inputs, where language modeling is a task sufficiently complex (but perhaps not the only) to require it.

Deep Learning · Attention Mechanisms

Wei-Yao Wang, Zhao Wang, Helen Suzuki, Yoshiyuki Kobayashi

Recent Multimodal Large Language Models (MLLMs) have demonstrated significant progress in perceiving and reasoning over multimodal inquiries, ushering in a new research era for foundation models. However, vision-language misalignment in MLLMs has emerged as a critical challenge, where the textual responses generated by these models are not factually aligned with the given text-image inputs. Existing efforts to address vision-language misalignment have focused on developing specialized vision-language connectors or leveraging visual instruction tuning from diverse domains. In this paper, we tackle this issue from a fundamental yet unexplored perspective by revisiting the core architecture of MLLMs. Most MLLMs are typically built on decoder-only LLMs consisting of a causal attention mechanism, which *limits the ability of the earlier modalities (e.g., images) to incorporate information from the latter modalities (e.g., text)*. To address this problem a MLLM that unlocks causal attention into our proposed modality-mutual attention (MMA) to enable image tokens to attend to text tokens. This simple yet effective design allows MMA to achieve state-of-the-art performance in 12 multimodal understanding benchmarks (**+6.2\% on average across 3 LLMs backbones**) without introducing additional parameters. Our MMA design is intended to be generic, allowing for applications across various modalities, and scalable to accommodate diverse multimodal scenarios.

Deep Learning · Theory

Jiayu Xiong, Jing Wang, Jun Xue, Wanlong Wang, Jianlong Kwan, Xiaosen Lyu, Zhouqiang Jiang

Multimodal learning aims to preserve as much task-related information as possible from different inputs. However, current fusion designs often distort the feedback loop to feature extractors. Aggressively merging modalities entangles their representations, making the feature extractors fragile to incomplete inputs. Meanwhile, attempting to separate features via auxiliary losses frequently introduces optimization conflicts that distract from the primary task. We propose the Self-Consistent Field Autoencoder (SCFAE) to provide a better path for task gradients. Our method follows the self-consistent field principle to balance task learning with feature organization, thereby minimizing mutual information. We use small autoencoders for each modality to keep information intact. The task loss acts as a driving force to select predictive features. The reconstruction loss acts as a constraint to separate these features into independent subspaces. These dual objectives operate through complementary feature subspaces, thereby mitigating optimization interference. We evaluate SCFAE on audio-visual-text, audio-visual, and image-video benchmarks. Results show that SCFAE handles missing data and unequal input sizes more robustly via a simple structure. Gradient analysis confirms that SCFAE avoids conflicts and maintains stable training dynamics.

Applications · Neuroscience, Cognitive Science

Zhenyu Liao, Di Yu, Changze Lv, Wentao Tong, Linshan Jiang, Sijie Ji, Xin Du, Hailiang Zhao, Xiaoqing Zheng, Shuiguang Deng

Millimeter-wave (mmWave) sensing enables privacy-preserving, always-on edge perception, but its measurements are often sparse, temporally irregular, and corrupted by high-frequency noise. Existing mmWave pipelines predominantly rely on artificial neural networks (ANNs), which achieve robustness through extensive preprocessing or deep architectures, thereby limiting their efficiency on edge devices. In this work, we study spiking neural networks (SNNs) for mmWave sensing from a mechanism–data alignment perspective. By leveraging the low-pass filtering behavior of leaky integrate-and-fire (LIF) dynamics, we analyze how their implicit temporal filtering interacts with the frequency structure of mmWave signals. Our analysis shows that when discriminative information resides in low-to-mid frequencies, LIF dynamics can inherently suppress high-frequency noise, clarifying when and why SNNs outperform ANNs. Based on this insight, we derive a principled criterion for configuring the membrane decay factor by matching the effective bandwidth of LIF dynamics to the data’s discriminative spectral content. Experimental results across four widely used mmWave datasets validate the proposed frequency-matching hypothesis, yielding an average test-accuracy improvement of 6.22% and a 3.64× reduction in theoretical energy consumption relative to ANN baselines, under a unified evaluation protocol.

Deep Learning · Large Language Models

Junze Zhu, Weihao Chen, Xuanwang Zhang, Zhen Wu, Xinyu Dai

The transition from single-turn models to Multi-Agent Systems (MAS) promises enhanced problem-solving capabilities, yet the centralized orchestration topology remains a critical point of fragility. To analyze this, we propose a Mean-Field Entropy Dynamics framework, modeling the orchestration process as a system governed by the competing forces of task resolution and cumulative context loading. To facilitate high-resolution validation, we introduce Inverse Workflow Generation (IWG), a multi-agent pipeline that synthesizes process-verifiable, high-complexity benchmarks with dense intermediate checkpoints. We demonstrate that our entropy dynamics model fits empirical trajectories, providing physically interpretable parameters that quantify system stability and performance collapse. Crucially, our analysis uncovers a ``Reasoning Trap": while reasoning-heavy models excel in isolated tasks, they frequently fail as orchestrators due to context squeezing. By elucidating the physical mechanisms underlying the Orchestrator and quantifying systemic uncertainty, our findings offer insights for the architectural design development of Multi-Agent Systems in prospective research.

Applications · Neuroscience, Cognitive Science

Jaeyoon Sim, Soojin Hwang, Seunghun Baek, Guorong Wu, Won Hwa Kim

Understanding complex interactions between brain regions is critical for early neurodegenerative disease classification such as Alzheimer’s Disease (AD) and Parkinson’s Disease (PD). While graph-based models are widely used to analyze brain networks, most existing approaches primarily focus on pairwise interactions between directly connected nodes, limiting their ability to capture higher-order dependencies across multiple regions. Although hypergraph-based methods have been proposed to model higher-order relations, many rely on predefined hyperedges or restrict learning to hyperedge weights, reducing flexibility and limiting their capacity to capture multi-resolution structural patterns. In this regard, we introduce an adaptive multi-scale hyperedge learning framework, i.e., MuHL, which constructs hierarchical node features and dynamically learns high-order interaction through continuous hyper-edge construction over multi-resolution graph signals. Extensive experiments on multiple brain network benchmarks demonstrate that MuHL consistently improves disease classification performance across different stages, and further identifies key regions of interest (ROIs) and their group-wise interactions from the learned hyperedges that are associated with disease progression, highlighting its potential as a powerful tool for brain network analysis with neurodegenerative disorders.