GenAI4ELab/papercli-papers huggingface dataset:
Gated Attention for Large Language Models: Non-linearity, Sparsity, and Attention-Sink-Free
Authors: Zihan Qiu; Zekun Wang; Bo Zheng; Zeyu Huang; Kaiyue Wen; Songlin Yang; Rui Men; Le Yu; Fei Huang; Suozhi Huang; Dayiheng Liu; Jingren Zhou; Junyang Lin
Venue: NeurIPS 2025 (NeurIPS 2025 oral)

Abstract: Gating mechanisms have been widely utilized, from early models like LSTMs and Highway Networks to recent state space models, linear attention, and also softmax attention.
Yet, existing literature rarely examines the specific effects of gating.
In this work, we conduct comprehensive experiments to systematically investigate gating-augmented softmax attention variants.
Specifically, we perform a comprehensive comparison over 30 variants of 15B Mixture-of-Experts (MoE) models and 1.7B dense models trained on a 3.5 trillion token dataset.
Our central finding is that a simple modification—applying a head-specific sigmoid gate after the Scaled Dot-Product Attention (SDPA)—consistently improves performance.
This modification also enhances training stability, tolerates larger learning rates, and improves scaling properties.
By comparing various gating positions and computational variants, we attribute this effectiveness to two key factors: (1) introducing non-linearity upon the low-rank mapping in the softmax attention, and (2) applying query-dependent sparse gating scores to modulate the SDPA output.
Notably, we find this sparse gating mechanism mitigates `massive activation`, `attention sink` and enhances long-context extrapolation performance. 
We also release related codes (https://github.com/qiuzh20/gated_attention}) and models (https://huggingface.co/QwQZh/gated_attention) to facilitate future research.
Furthermore, the most effective SDPA output gating is used in the Qwen3-Next models (https://huggingface.co/collections/Qwen/qwen3-next).
Probing Equivariance and Symmetry Breaking in Convolutional Networks
Authors: Sharvaree Vadgama; Mohammad Mohaiminul Islam; Domas Buracas; Christian A Shewmake; Artem Moskalev; Erik J Bekkers
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In this work, we explore the trade-offs of explicit structural priors, particularly group-equivariance. We address this through theoretical analysis and a comprehensive empirical study focusing on point clouds. To enable controlled and fair comparisons, we introduce \texttt{Rapidash}, a unified group convolutional architecture that allows for different variants of equivariant and non-equivariant models. Our results suggest that more constrained equivariant models outperform less constrained alternatives when aligned with the geometry of the task, and increasing representation capacity does not fully eliminate performance gaps. We see improved performance of models with equivariance and symmetry-breaking through tasks like segmentation, regression, and generation across diverse datasets. Explicit \textit{symmetry breaking} via geometric reference frames consistently improves performance, while \textit{breaking equivariance} through geometric input features can be helpful when aligned with task geometry. Our results provide task-specific performance trends that offer a more nuanced way for model selection.
Code available at [github.com/Sharvaree/EquivarianceStudy](https://github.com/Sharvaree/EquivarianceStudy)
A Dynamic Learning Strategy for Dempster-Shafer Theory with Applications in Classification and Enhancement
Authors: Linlin Fan; Xingyu Liu; Mingliang Zhou; Xuekai Wei; Weizhi Xian; Jielu Yan; Weijia Jia
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Effective modelling of uncertain information is crucial for quantifying uncertainty. Dempster–Shafer evidence (DSE) theory is a widely recognized approach for handling uncertain information. However, current methods often neglect the inherent a priori information within data during modelling, and imbalanced data lead to insufficient attention to key information in the model. To address these limitations, this paper presents a dynamic learning strategy based on nonuniform splitting mechanism and Hilbert space mapping. First, the framework uses a nonuniform splitting mechanism to dynamically adjust the weights of data subsets and combines the diffusion factor to effectively incorporate the data a priori information, thereby flexibly addressing uncertainty and conflict. Second, the conflict in the information fusion process is reduced by Hilbert space mapping. Experimental results on multiple tasks show that the proposed method significantly outperforms state-of-the-art methods and effectively improves the performance of classification and low-light image enhancement (LLIE) tasks. The code is available at https://anonymous.4open.science/r/Third-ED16.
Robust Explanations of Graph Neural Networks via Graph Curvatures
Authors: Yazheng Liu; Xi Zhang; Sihong Xie; Hui Xiong
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Explaining graph neural networks (GNNs) is a key approach to improve the trustworthiness of GNN in high-stakes applications, such as finance and healthcare. However, existing methods are vulnerable to perturbations, raising concerns about explanation reliability. Prior methods enhance explanation robustness using model retraining or explanation ensemble, with certain weaknesses. Retraining leads to models that are different from the original target model and misleading explanations, while ensemble can produce contradictory results due to different inputs or models. To improve explanation robustness without the above weaknesses, we take an unexplored route and exploit the two edge geometry properties curvature and resistance to enhance explanation robustness. We are the first to prove that these geometric notions can be used to bound explanation robustness. We design a general optimization algorithm to incorporate these geometric properties into a wide spectrum of base GNN explanation methods to enhance the robustness of base explanations. We empirically show that our method outperforms six base explanation methods in robustness across nine datasets spanning node classification, link prediction, and graph classification tasks, improving fidelity in 80\% of the cases and achieving up to a 10\% relative improvement in robust performance. The code is available at [https://github.com/yazhengliu/Robust_explanation_curvature](https://github.com/yazhengliu/Robust_explanation_curvature).
From stability of Langevin diffusion to convergence of proximal MCMC for non-log-concave sampling
Authors: Marien Renaud; Valentin De Bortoli; Arthur Leclaire; Nicolas Papadakis
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We consider the problem of sampling distributions stemming from non-convex potentials with Unadjusted Langevin Algorithm (ULA). We prove the stability of the discrete-time ULA to drift approximations under the assumption that the potential is strongly convex at infinity. In many context, e.g. imaging inverse problems, potentials are non-convex and non-smooth.  Proximal Stochastic Gradient Langevin Algorithm (PSGLA) is a popular algorithm to handle such potentials. It combines the forward-backward optimization algorithm with a ULA step. Our main stability result combined with properties of the Moreau envelope allows us to derive the first proof of convergence of the PSGLA for non-convex potentials. We empirically validate our methodology on synthetic data and in the context of imaging inverse problems. In particular, we observe that PSGLA exhibits faster convergence rates than Stochastic Gradient Langevin Algorithm for posterior sampling while preserving its restoration properties.
On Logic-based Self-Explainable Graph Neural Networks
Authors: Alessio Ragno; Marc Plantevit; Céline Robardet
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Graphs are complex, non-Euclidean structures that require specialized models, such as Graph Neural Networks (GNNs), Graph Transformers, or kernel-based approaches, to effectively capture their relational patterns. This inherent complexity makes explaining GNNs decisions particularly challenging. Most existing explainable AI (XAI) methods for GNNs focus on identifying influential nodes or extracting subgraphs that highlight relevant motifs. However, these approaches often fall short of clarifying how such elements contribute to the final prediction. To overcome this limitation, logic-based explanations aim to derive explicit logical rules that reflect the model's decision-making process. Current logic-based methods are limited to post-hoc analyzes and are predominantly applied to graph classification, leaving a significant gap in intrinsically explainable GNN architectures. In this paper, we explore the potential of integrating logic reasoning directly into graph learning. We introduce LogiX-GIN, a novel, self-explainable GNN architecture that incorporates logic layers to produce interpretable logical rules as part of the learning process. Unlike post-hoc methods, LogiX-GIN provides faithful, transparent, and inherently interpretable explanations aligned with the model's internal computations. We evaluate LogiX-GIN across several graph-based tasks and show that it achieves competitive predictive performance while delivering clear, logic-based insights into its decision-making process.
Bipolar Self-attention for Spiking Transformers
Authors: Shuai Wang; Malu Zhang; Jingya Wang; Dehao Zhang; Yimeng Shan; Jieyuan Zhang; Yichen Xiao; Honglin Cao; Haonan Zhang; Zeyu Ma; Yang Yang; Haizhou Li
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Harnessing the event-driven characteristic, Spiking Neural Networks (SNNs) present a promising avenue toward energy-efficient Transformer architectures. However, existing Spiking Transformers still suffer significant performance gaps compared to their Artificial Neural Network counterparts. Through comprehensive analysis, we attribute this gap to these two factors. First, the binary nature of spike trains limits Spiking Self-attention (SSA)’s capacity to capture negative–negative and positive–negative membrane potential interactions on Querys and Keys. Second, SSA typically omits Softmax functions to avoid energy-intensive multiply-accumulate operations, thereby failing to maintain row-stochasticity constraints on attention scores.
To address these issues, we propose a Bipolar Self-attention (BSA) paradigm, effectively modeling multi-polar membrane potential interactions with a fully spike-driven characteristic. Specifically, we demonstrate that ternary matrix multiplication provides a closer approximation to real-valued computation on both distribution and local correlation, enabling clear differentiation between homopolar and heteropolar interactions. Moreover, we propose a shift-based Softmax approximation named Shiftmax, which efficiently achieves low-entropy activation and partly maintains row-stochasticity without non-linear operation, enabling precise attention allocation. 
Extensive experiments show that BSA achieves substantial performance improvements across various tasks, including image classification, semantic segmentation, and event-based tracking. These results establish its potential as a fundamental building block for energy-efficient Spiking Transformers.
Dendritic Resonate-and-Fire Neuron for Effective and Efficient Long Sequence Modeling
Authors: Dehao Zhang; Malu Zhang; Shuai Wang; Jingya Wang; Wenjie Wei; Zeyu Ma; Guoqing Wang; Yang Yang; Haizhou Li
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The explosive growth in sequence length has intensified the demand for effective and efficient long sequence modeling. Benefiting from intrinsic oscillatory membrane dynamics, Resonate-and-Fire (RF) neurons can efficiently extract frequency components from input signals and encode them into spatiotemporal spike trains, making them well-suited for long sequence modeling. However, RF neurons exhibit limited effective memory capacity and a trade-off between energy efficiency and training speed on complex temporal tasks. Inspired by the dendritic structure of biological neurons, we propose a Dendritic Resonate-and-Fire (D-RF) model, which explicitly incorporates a multi-dendritic and soma architecture. Each dendritic branch encodes specific frequency bands by utilizing the intrinsic oscillatory dynamics of RF neurons, thereby collectively achieving comprehensive frequency representation. Furthermore, we introduce an adaptive threshold mechanism into the soma structure. This mechanism adjusts the firing threshold according to historical spiking activity, thereby reducing redundant spikes while maintaining training efficiency in long-sequence tasks. Extensive experiments demonstrate that our method maintains competitive accuracy while substantially ensuring sparse spikes without compromising computational efficiency during training. These results underscore its potential as an effective and efficient solution for long sequence modeling on edge platforms.
Sampled Estimators For Softmax Must Be Biased
Authors: Li-Chung Lin; Yaxu Liu; Chih-Jen Lin
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Models requiring probabilistic outputs are ubiquitous and used in fields such as natural language processing, contrastive learning, and recommendation systems. The standard method of designing such a model is to output unconstrained logits, which are normalized into probabilities with the softmax function. The normalization involves computing a summation across all classes, which becomes prohibitively expensive for problems with a large number of classes. An important strategy to reduce the cost is to sum over a sampled subset of classes in the softmax function, known as the sampled softmax. It was known that the sampled softmax is biased; the expectation taken over the sampled classes is not equal to the softmax function. Many works focused on reducing the bias by using a better way of sampling the subset. However, while sampled softmax is biased, it is unclear whether an unbiased function different from sampled softmax exists. In this paper, we show that all functions that only access a sampled subset of classes must be biased.
With this result, we prevent efforts in finding unbiased loss functions and validate that past efforts devoted to reducing bias are the best we can do.
Channel Matters: Estimating Channel Influence for Multivariate Time Series
Authors: Muyao Wang; Zeke Xie; Bo Chen; Hongwei Liu; James Kwok
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The influence function serves as an efficient post-hoc interpretability tool that quantifies the impact of training data modifications on model parameters, enabling enhanced model performance, improved generalization, and interpretability insights without the need for expensive retraining processes. Recently, Multivariate Time Series (MTS) analysis has become an important yet challenging task, attracting significant attention. While channel extremely matters to MTS tasks, channel-centric methods are still largely under-explored for MTS. Particularly, no previous work studied the effects of channel information of MTS in order to explore counterfactual effects between these channels and model performance. To fill this gap, we propose a novel Channel-wise Influence (ChInf) method that is the first to estimate the influence of different channels in MTS. Based on ChInf, we naturally derived two channel-wise algorithms by incorporating ChInf into classic MTS tasks. Extensive experiments demonstrate the effectiveness of ChInf and ChInf-based methods in critical MTS analysis tasks, such as MTS anomaly detection and MTS data pruning. Specifically, our ChInf-based methods rank top-1 among all methods for comparison, while previous influence functions do not perform well on MTS anomaly detection tasks and MTS data pruning problem. This fully supports the superiority and necessity of ChInf.
Combinatorial Ski Rental Problem: Robust and Learning-Augmented Algorithms
Authors: Ziwei Li; Bo Sun; Zhiqiu Zhang; Mohammad Hajiesmaili; Binghan Wu; Lin Yang; Yang Gao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We introduce and study the Combinatorial Ski Rental (CSR) problem, which involves multiple items that can be rented or purchased, either individually or in combination. At each time step, a decision-maker must make an irrevocable buy-or-rent decision for items that have not yet been purchased, without knowing the end of the time horizon. We propose a randomized online algorithm,  Sorted Optimal Amortized Cost (SOAC), that achieves the optimal competitive ratio. Moreover, SOAC can be extended to address various well-known ski rental variants, including the multi-slope, multi-shop, multi-commodity ski rental and CSR with upgrading problems. Building on the proposed SOAC algorithm, we further develop a learning-augmented algorithm that leverages machine-learned predictions to improve the performance of CSR. This algorithm is capable of recovering or improving upon existing results of learning-augmented algorithms in both the classic ski rental and multi-shop ski rental problems. Experimental results validate our theoretical analysis and demonstrate the advantages of our algorithms over baseline methods for ski rental problems.
Local-Global Coupling Spiking Graph Transformer  for Brain Disorders Diagnosis from Two Perspectives
Authors: Geng Zhang; Jiangrong Shen; Kaizhong Zheng; Liangjun Chen; Badong Chen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Brain disorders have been consistently associated with abnormalities in specific brain regions or neural circuits. Identifying key brain regional activities and functional connectivity patterns is essential for discovering more precise neurobiological biomarkers. However, previous studies have primarily emphasized alterations in functional connectivity while overlooking abnormal neuronal population activity within brain regions. To bridge this gap, we propose a novel Local-Global Coupling Spiking Graph Transformer (LGC-SGT) that jointly models both inter-regional connectivity differences and deviations in neuronal population firing rates within brain regions, enabling a dual-perspective neuropathological analysis. The global pathway leverages spike-based computation in LGC-SGT to model biologically plausible aberrant neural firing dynamics, while the local pathway adaptively captures abnormal graph-based representations of brain connectivity learned by local plasticity in the liquid state machine module.  Furthermore, we design a shortcut-enhanced output strategy in LGC-SGT with the hybrid loss function to suppress outlier interference caused by inter-individual and inter-center variability, enabling a more robust decision boundary. Extensive experiments on three brain disorder datasets demonstrate that our model consistently outperforms state-of-the-art graph methods in brain disorder diagnosis. Moreover, it facilitates the extraction of interpretable neurobiological biomarkers by jointly analyzing regional neural activity and functional connectivity, offering a more comprehensive framework for brain disorder understanding and diagnosis.
Online Functional Tensor Decomposition via Continual Learning for Streaming Data Completion
Authors: Xi Zhang; Yanyi Li; Yisi Luo; Qi Xie; Deyu Meng
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Online tensor decompositions are powerful and proven techniques that address the challenges in processing high-velocity streaming tensor data, such as traffic flow and weather system. The main aim of this work is to propose a novel online functional tensor decomposition (OFTD) framework, which represents a spatial-temporal continuous function using the CP tensor decomposition parameterized by coordinate-based implicit neural representations (INRs). The INRs allow for natural characterization of continually expanded streaming data by simply adding new coordinates into the network. Particularly, our method transforms the classical online tensor decomposition algorithm into a more dynamic continual learning paradigm of updating the INR weights to fit the new data without forgetting the previous tensor knowledge. To this end, we introduce a long-tail memory replay method that adapts to the local continuity property of INR. Extensive experiments for streaming tensor completion using traffic, weather, user-item, and video data verify the effectiveness of the OFTD approach for streaming data analysis. This endeavor serves as a pivotal inspiration for future research to connect classical online tensor tools with continual learning paradigms to better explore knowledge underlying streaming tensor data.
Neural Emulator Superiority: When Machine Learning for PDEs Surpasses its Training Data
Authors: Felix Koehler; Nils Thuerey
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Neural operators or emulators for PDEs trained on data from numerical solvers are conventionally assumed to be limited by their training data's fidelity. We challenge this assumption by identifying "emulator superiority," where neural networks trained purely on low-fidelity solver data can achieve higher accuracy than those solvers when evaluated against a higher-fidelity reference. Our theoretical analysis reveals how the interplay between emulator inductive biases, training objectives, and numerical error characteristics enables superior performance during multi-step rollouts. We empirically validate this finding across different PDEs using standard neural architectures, demonstrating that emulators can implicitly learn dynamics that are more regularized or exhibit more favorable error accumulation properties than their training data, potentially surpassing training data limitations and mitigating numerical artifacts. This work prompts a re-evaluation of emulator benchmarking, suggesting neural emulators might achieve greater physical fidelity than their training source within specific operational regimes.

Project Page: https://tum-pbs.github.io/emulator-superiority
Tree-Sliced Entropy Partial Transport
Authors: Viet-Hoang Tran; Thanh Tran; Thanh Chu; Tam Le; Tan Minh Nguyen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Optimal Transport (OT) has emerged as a fundamental tool in machine learning for comparing probability distributions in a geometrically meaningful manner. However, a key limitation of classical OT is its requirement that the source and target distributions have equal total mass, limiting its use in real-world settings involving imbalanced data, noise, outliers, or structural inconsistencies. Partial Transport (PT) addresses this limitation by allowing only a fraction of the mass to be transported, offering greater flexibility and robustness. Nonetheless, similar to OT, PT remains computationally expensive, as it typically involves solving large-scale linear programs—especially in high-dimensional spaces. To alleviate this computational burden, several emerging works have introduced the Tree-Sliced Wasserstein (TSW) distance, which projects distributions onto tree-metric spaces where OT problems admit closed-form solutions. Building on this line of research, we propose a novel framework that extends the tree-sliced approach to the PT setting, introducing the Partial Tree-Sliced Wasserstein (PartialTSW) distance. Our method is based on the key observation that, within tree-metric space, the PT problem can be equivalently reformulated as a standard balanced OT problem between suitably modified measures. This reformulation enables efficient computation while preserving the adaptability and robustness of partial transport. Our method proves effective across challenging tasks such as outlier removal and addressing class imbalance in image-to-image translation. Our code is publicly available at [this https URL](https://github.com/thanhqt2002/PartialTSW).