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PhysioWave: AMulti-Scale Wavelet-Transformer for Physiological Signal Representation

Neural Information Processing Systems

Physiological signals are often corrupted by motion artifacts, baseline drift, and other low-SNR disturbances, which pose significant challenges for analysis. Additionally, these signals exhibit strong non-stationarity, with sharp peaks and abrupt changes that evolve continuously, making them difficult to represent using traditional time-domain or filtering methods. To address these issues, a novel waveletbased approach for physiological signal analysis is presented, aiming to capture multi-scale time-frequency features in various physiological signals. Leveraging this technique, two large-scale pretrained models specific to EMG and ECG are introduced for the first time, achieving superior performance and setting new baselines in downstream tasks. Additionally, a unified multi-modal framework is constructed by integrating pretrained EEG model, where each modality is guided through its dedicated branch and fused via learnable weighted fusion. This design effectively addresses challenges such as low signal-to-noise ratio, high inter-subject variability, and device mismatch, outperforming existing methods on multi-modal tasks. The proposed wavelet-based architecture lays a solid foundation for analysis of diverse physiological signals, while the multi-modal design points to nextgeneration physiological signal processing with potential impact on wearable health monitoring, clinical diagnostics, and broader biomedical applications.


Generalizable Insights for Graph Transformers in Theory and Practice

Neural Information Processing Systems

Graph transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to specific design choices and lack comprehensive empirical validation on large-scale data. This leaves a gap between theory and practice, preventing generalizable insights that exceed particular application domains. Here, we propose the GeneralizedDistance Transformer (GDT), a GT architecture based on standard attention that incorporates many recent advancements for GTs, and we develop a fine-grained understanding of the GDT's representation power in terms of attention and PEs. Through extensive experiments, we identify design choices that consistently perform well across various applications, tasks, and model scales, demonstrating strong performance in a few-shot transfer setting without fine-tuning. Our evaluation covers over eight million graphs with roughly 270M tokens across diverse domains, including image-based object detection, molecular property prediction, code summarization, and out-of-distribution algorithmic reasoning.


LrcSSM block repeat #blocks times

Neural Information Processing Systems

We present LrcSSM, a non-linear recurrent model that processes long sequences as fast as today's linear state-space layers. By forcing its Jacobian matrix to be diagonal, the full sequence can be solved in parallel, giving O(TD) computational work and memory and only O(logT) sequential depth, for input-sequence length T and a state dimension D. Moreover, LrcSSM offers a formal gradient-stability guarantee that other input-varying systems such as Liquid-S4 and Mamba do not provide. Importantly, the diagonal Jacobian structure of our model results in no performance loss compared to the original model with dense Jacobian, and the approach can be generalized to other non-linear recurrent models, demonstrating broader applicability. On a suite of long-range forecasting tasks, we demonstrate that LrcSSM outperforms Transformers, LRU, S5, and Mamba.


Proper Hรถlder-Kullback Dirichlet Diffusion: A Framework for High Dimensional Generative Modeling

Neural Information Processing Systems

Diffusion-based generative models have long depended on Gaussian priors, with little exploration of alternative distributions. We introduce a Proper Hรถlder-Kullback Dirichlet framework that uses time-varying multiplicative transformations to define both forward and reverse diffusion processes. Moving beyond conventional reweighted evidence lower bounds (ELBO) or Kullback-Leibler upper bounds (KLUB), we propose two novel divergence measures: the Proper Hรถlder Divergence (PHD) and the Proper Hรถlder-Kullback (PHK) divergence, the latter designed to restore symmetry missing in existing formulations. When optimizing our Dirichlet diffusion model with PHK, we achieve a Frรฉchet Inception Distance (FID) of 2.78 on unconditional CIFAR-10. Comprehensive experiments on natural-image datasets validate the generative strengths of model and confirm PHK's effectiveness in model training. These contributions expand the diffusion-model family with principled non-Gaussian processes and effective optimization tools, offering new avenues for versatile, high-fidelity generative modeling.


DynamicRAG: Leveraging Outputs of Large Language Model as Feedback for Dynamic Reranking in Retrieval-Augmented Generation

Neural Information Processing Systems

Retrieval-augmented generation (RAG) systems combine large language models (LLMs) with external knowledge retrieval, making them highly effective for knowledge-intensive tasks. A crucial but often under-explored component of these systems is the reranker. Since irrelevant documents in RAG systems can mislead the generator, the reranker plays a vital role in refining retrieved documents to enhance generation quality and explainability. However, it is challenging to determine the appropriate number of documents (k) that the reranker should select: too few may result in missing critical information, while too many introduce noise and inefficiencies. Although recent studies have explored LLM-based rerankers, they primarily leverage internal model knowledge and overlook the rich supervisory signals that LLMs can provide, such as using response quality as feedback for optimizing reranking decisions. In this paper, we propose DynamicRAG, a novel RAG framework where the reranker dynamically adjusts both the order and number of retrieved documents based on the query. We model the reranker as an agent optimized through reinforcement learning (RL), using rewards derived from LLM output quality. Across seven knowledge-intensive datasets, DynamicRAG demonstrates superior performance, achieving state-of-the-art results among models of same parameter sizes.


Mitigating Privacy-Utility Trade-off in Decentralized Federated Learning via f-Differential Privacy

Neural Information Processing Systems

Differentially private (DP) decentralized Federated Learning (FL) allows local users to collaborate without sharing their data with a central server. However, accurately quantifying the privacy budget of private FL algorithms is challenging due to the co-existence of complex algorithmic components such as decentralized communication and local updates.


Beyond Least Squares: Uniform Approximation and the Hidden Cost of Misspecification

Neural Information Processing Systems

We study the problem of controlling worst-case errors in misspecified linear regression under the random design setting, where the regression function is estimated via (penalized) least-squares. This setting arises naturally in value function approximation for bandit algorithms and reinforcement learning (RL). Our first main contribution is the observation that the amplification of the misspecification error when using least-squares is governed by the Lebesgue constant, a classical quantity from approximation theory that depends on the choice of the feature subspace and the covariate distribution. We also show that this dependence on the misspecification error is tight for least-squares regression: in general, no method minimizing the empirical squared loss, including regularized least-squares, can improve it substantially. We argue this explains the empirical observation that some feature-maps (e.g., those derived from the Fourier bases) "work better in RL" than others (e.g., polynomials): given some covariate distribution, the Lebesgue constant is known to be highly sensitive to choice of the feature-map. As a second contribution, we propose a method that augments the original feature set with auxiliary features designed to reduce the error amplification. We then prove that the method successfully competes with an "oracle" that knows the best way of using the auxiliary features to reduce this amplification. For example, when the domain is a real interval and the features are monomials, our method reduces the amplification factor to O(1)as d, while without our method, least-squares with the monomials (and in fact polynomials) will suffer a worst-case error amplification of order โ„ฆ(d). It follows that there are functions and feature maps for which our method is consistent, while least-squares is inconsistent.


MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures

Neural Information Processing Systems

Geometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a new multi-agent reinforcement learning method called Multi-Agent Crystal Structure optimization (MACS) to address periodic crystal structure optimization. MACS treats geometry optimization as a partially observable Markov game in which atoms are agents that adjust their positions to collectively discover a stable configuration. We train MACS across various compositions of reported crystalline materials to obtain a policy that successfully optimizes structures from the training compositions as well as structures of larger sizes and unseen compositions, confirming its excellent scalability and zero-shot transferability. We benchmark our approach against a broad range of state-of-theart optimization methods and demonstrate that MACS optimizes periodic crystal structures significantly faster, with fewer energy calculations, and the lowest failure rate. Code is available at https://github.com/lrcfmd/macs.


Communication-Efficient Diffusion Denoising Parallelization via Reuse-then-Predict Mechanism

Neural Information Processing Systems

Diffusion models have emerged as a powerful class of generative models across various modalities, including image, video, and audio synthesis. However, their deployment is often limited by significant inference latency, primarily due to the inherently sequential nature of the denoising process. While existing parallelization strategies attempt to accelerate inference by distributing computation across multiple devices, they typically incur high communication overhead, hindering deployment on commercial hardware. To address this challenge, we propose ParaStep, a novel parallelization method based on a reuse-then-predict mechanism that parallelizes diffusion inference by exploiting similarity between adjacent denoising steps. Unlike prior approaches that rely on layer-wise or stage-wise communication, ParaStep employs lightweight, step-wise communication, substantially reducing overhead. ParaStep achieves end-to-end speedups of up to 3.88 on SVD, 2.43 on CogVideoX-2b, and 6.56 on AudioLDM2-large, while maintaining generation quality.


FlySearch: Exploring how vision-language models explore

Neural Information Processing Systems

The real world is messy and unstructured. Uncovering critical information often requires active, goal-driven exploration. It remains to be seen whether VisionLanguage Models (VLMs), which recently emerged as a popular zero-shot tool in many difficult tasks, can operate effectively in such conditions. In this paper, we answer this question by introducing FlySearch, a 3D, outdoor, photorealistic environment for searching and navigating to objects in complex scenes. We define three sets of scenarios with varying difficulty and observe that state-of-the-art VLMs cannot reliably solve even the simplest exploration tasks, with the gap to human performance increasing as the tasks get harder. We identify a set of central causes, ranging from vision hallucination, through context misunderstanding, to task planning failures, and we show that some of them can be addressed by finetuning. We publicly release the benchmark, scenarios, and the underlying codebase.