GenAI4ELab/papercli-papers huggingface dataset:
Omni-Mol: Multitask Molecular Model for Any-to-any Modalities
Authors: Chengxin Hu; Hao Li; Yihe Yuan; Zezheng Song; Chenyang Zhao; Haixin Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal molecular model. We identify three key challenges in this endeavor: (1) Existing molecular task datasets are typically small in scale and lack comprehensive domain coverage. (2) Tasks from different molecular subfields are difficult to effectively learn jointly through LLMs due to significant distributional shifts and competition among tasks, which introduces instability in the learning process. (3) Both inter-task and intra-task molecular representations demand different intrinsic dimensions in the language space, making it challenging to balance between redundancy and insufficiency in language model representations. To address these challenges, we innovatively categorize existing small-molecule tasks into four types: Mol2Mol, Mol2Text, Mol2Num, and Text2Mol. We then collect a dataset encompassing over 16 tasks with more than 1.4 million samples, making it the largest molecular instruction-tuning dataset to date. Leveraging the extensive pretraining of LLMs on existing chemical literature, we propose a novel multimodal LLM framework, named **Omni-Mol**, which unifies all small-molecule tasks and supports both molecular generation and understanding. The core of Omni-Mol is our proposed MoGE, which dynamically adapts to the intrinsic rank of different tasks. This mixture-of-experts architecture enhances the model's ability to handle diverse tasks and modalities effectively. Our model achieves unified instruction tuning across 16 tasks and attains state-of-the-art performance on 13 of them. Extensive experiments further demonstrate the scalability and versatility of Omni-Mol.
Erasing Conceptual Knowledge from Language Models
Authors: Rohit Gandikota; Sheridan Feucht; Samuel Marks; David Bau
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In this work, we introduce Erasure of Language Memory (ELM), a principled approach to concept-level unlearning that operates by matching distributions defined by the model's own introspective classification capabilities. Our key insight is that effective unlearning should leverage the model's ability to evaluate its own knowledge, using the language model itself as a classifier to identify and reduce the likelihood of generating content related to undesired concepts. ELM applies this framework to create targeted low-rank updates that reduce generation probabilities for concept-specific content while preserving the model's broader capabilities. We demonstrate ELM's efficacy on biosecurity, cybersecurity, and literary domain erasure tasks. Comparative evaluation reveals that ELM-modified models achieve near-random performance on assessments targeting erased concepts, while simultaneously preserving generation coherence, maintaining benchmark performance on unrelated tasks, and exhibiting strong robustness to adversarial attacks.
GOOD: Training-Free Guided Diffusion Sampling for Out-of-Distribution Detection
Authors: Xin Gao; Jiyao Liu; Guanghao Li; Yueming Lyu; Jianxiong Gao; Weichen Yu; Ningsheng Xu; Liang Wang; Caifeng Shan; Ziwei Liu; Chenyang Si
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing text-conditioned embeddings, resulting in semantic instability and insufficient shift diversity, which limit generalization to realistic OOD. To address these challenges,  we propose GOOD, a novel and flexible framework that directly guides diffusion sampling trajectories towards OOD regions using off-the-shelf in-distribution (ID) classifiers. GOOD incorporates dual-level guidance: (1) Image-level guidance based on the gradient of log partition to reduce input likelihood, drives samples toward low-density regions in pixel space. (2) Feature-level guidance, derived from k-NN distance in the classifier’s latent space, promotes sampling in feature-sparse regions. Hence, this dual-guidance design enables more controllable and diverse OOD sample generation. Additionally, we introduce a unified OOD score that adaptively combines image and feature discrepancies, enhancing detection robustness. We perform thorough quantitative and qualitative analyses to evaluate the effectiveness of GOOD, demonstrating that training with samples generated by GOOD can notably enhance OOD detection performance.
Learning from Disjoint Views: A Contrastive Prototype Matching Network for Fully Incomplete Multi-View Clustering
Authors: Yiming Wang; Qun Li; Dongxia Chang; Jie Wen; Hua Dai; Fu Xiao; Yao Zhao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Multi-view clustering aims to enhance clustering performance by leveraging information from diverse sources. However, its practical application is often hindered by a barrier: the lack of correspondences across views. This paper focuses on the understudied problem of fully incomplete multi-view clustering (FIMC), a scenario where existing methods fail due to their reliance on partial alignment. To address this problem, we introduce the Contrastive Prototype Matching Network (CPMN), a novel framework that establishes a new paradigm for cross-view alignment based on matching high-level categorical structures. Instead of aligning individual instances, CPMN performs a more robust cluster prototype alignment. CPMN first employs a correspondence-free graph contrastive learning approach, leveraging mutual $k$-nearest neighbors (MNN) to uncover intrinsic data structures and establish initial prototypes from entirely unpaired views. Building on the prototypes, we introduce a cross-view prototype graph matching stage to resolve category misalignment and forge a unified clustering structure. Finally, guided by this alignment, we devise a prototype-aware contrastive learning mechanism to promote semantic consistency, replacing the reliance on the initial MNN-based structural similarity. Extensive experiments on benchmark datasets demonstrate that our method significantly outperforms various baselines and ablation variants, validating its effectiveness.
Coloring Learning for Heterophilic Graph Representation
Authors: Miaomiao Huang; Yuhai Zhao; Zhengkui Wang; Fenglong Ma; Yejiang Wang; Meixia Wang; Xingwei Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Graph self-supervised learning aims to learn the intrinsic graph representations from unlabeled data, with broad applicability in areas such as computing networks. Although graph contrastive learning (GCL) has achieved remarkable progress by generating perturbed views via data augmentation and optimizing sample similarity, it performs poorly in heterophilic graph scenarios (where connected nodes are likely to belong to different classes or exhibit dissimilar features). In heterophilic graphs, existing methods typically rely on random or carefully designed augmentation strategies (e.g., edge dropping) for contrastive views. However, such graph structures exhibit intricate edge relationships, where topological perturbations may completely alter the semantics of neighborhoods. Moreover, most methods focus solely on local contrastive signals while neglecting global structural constraints. To address these limitations, inspired by graph coloring, we propose a novel Coloring learning for heterophilic graph Representation framework, CoRep, which: 1) Pioneers a coloring classifier to generate coloring labels, explicitly minimizing the discrepancy between homophilic nodes while maximizing that of heterophilic nodes. A global positive sample set is constructed using multi-hop same-color nodes to capture global semantic consistency. 2) Introduces a learnable edge evaluator to guide the coloring learning dynamically and utilizes the edges' triplet relations to enhance its robustness. 3) Leverages Gumbel-Softmax to differentially discretize color distributions, suppressing noise via a redundancy constraint and enhancing intra-class compactness. Experimental results on 14 benchmark datasets demonstrate that CoRep significantly outperforms current state-of-the-art methods.
Unifying Appearance Codes and Bilateral Grids for Driving Scene Gaussian Splatting
Authors: Nan Wang; Lixing Xiao; Yuantao Chen; Weiqing Xiao; Pierre Merriaux; Lei Lei; Ziyang Yan; Saining Zhang; Shaocong Xu; Chongjie Ye; Bohan Li; Zhaoxi Chen; Tianfan Xue; Hao Zhao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Neural rendering techniques, including NeRF and Gaussian Splatting (GS), rely on photometric consistency to produce high-quality reconstructions. However, in real-world driving scenarios, it is challenging to guarantee perfect photometric consistency in acquired images. Appearance codes have been widely used to address this issue, but their modeling capability is limited, as a single code is applied to the entire image. Recently, the bilateral grid was introduced to perform pixel-wise color mapping, but it is difficult to optimize and constrain effectively. In this paper, we propose a novel multi-scale bilateral grid that unifies appearance codes and bilateral grids. We demonstrate that this approach significantly improves geometric accuracy in dynamic, decoupled autonomous driving scene reconstruction, outperforming both appearance codes and bilateral grids. This is crucial for autonomous driving, where accurate geometry is important for obstacle avoidance and control. Our method shows strong results across four datasets: Waymo, NuScenes, Argoverse, and PandaSet. We further demonstrate that the improvement in geometry is driven by the multi-scale bilateral grid, which effectively reduces floaters caused by photometric inconsistency.
TAMI: Taming Heterogeneity in Temporal Interactions for Temporal Graph Link Prediction
Authors: Zhongyi Yu; Jianqiu Wu; Zhenghao Wu; Shuhan Zhong; Weifeng Su; Chul-Ho Lee; Weipeng Zhuo
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Temporal graph link prediction aims to predict future interactions between nodes in a graph based on their historical interactions, which are encoded in node embeddings. We observe that heterogeneity naturally appears in temporal interactions, e.g., a few node pairs can make most interaction events, and interaction events happen at varying intervals. This leads to the problems of ineffective temporal information encoding and forgetting of past interactions for a pair of nodes that interact intermittently for their link prediction. Existing methods, however, do not consider such heterogeneity in their learning process, and thus their learned temporal node embeddings are less effective, especially when predicting the links for infrequently interacting node pairs. To cope with the heterogeneity, we propose a novel framework called TAMI, which contains two effective components, namely log time encoding function (LTE) and link history aggregation (LHA). LTE better encodes the temporal information through transforming interaction intervals into more balanced ones, and LHA prevents the historical interactions for each target node pair from being forgotten. State-of-the-art temporal graph neural networks can be seamlessly and readily integrated into TAMI to improve their effectiveness. Experiment results on 13 classic datasets and three newest temporal graph benchmark (TGB) datasets show that TAMI consistently improves the link prediction performance of the underlying models in both transductive and inductive settings. Our code is available at https://github.com/Alleinx/TAMI_temporal_graph.
KVCOMM: Online Cross-context KV-cache Communication for Efficient LLM-based Multi-agent Systems
Authors: Hancheng Ye; Zhengqi Gao; Mingyuan Ma; Qinsi Wang; Yuzhe Fu; Ming-Yu Chung; Yueqian Lin; Zhijian Liu; Jianyi Zhang; Danyang Zhuo; Yiran Chen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Multi-agent large language model (LLM) systems are increasingly adopted for complex language processing tasks that require communication and coordination among agents. However, these systems often suffer substantial overhead from repeated reprocessing of overlapping contexts across agents. In typical pipelines, once an agent receives a message from its predecessor, the full context-including prior turns-must be reprocessed from scratch, leading to inefficient processing. While key-value (KV) caching is an effective solution for avoiding redundant computation in single-agent settings where prefixes remain unchanged, it cannot be directly reused in multi-agent scenarios due to diverging prefixes introduced by agent-specific context extensions. We identify that the core challenge lies in the offset variance of KV-caches across agents. To address this, we propose **KVCOMM**, a training-free framework that enables efficient prefilling in multi-agent inference by reusing KV-caches and aligning cache offsets of overlapping contexts under diverse prefix contexts. KVCOMM estimates and adjusts KV-caches for shared content by referencing a pool of cached examples—termed *anchors*—that store observed cache deviations under varying prefixes. The anchor pool is maintained and updated online, allowing dynamic adaptation to distinct user requests and context structures. KVCOMM achieves over 70% reuse rate across diverse multi- agent workloads, including retrieval-augmented generation, math reasoning, and collaborative coding tasks, all without quality degradation. Particularly, when each fully-connected agent receives 1K input tokens with 512 prefix tokens and 512 output tokens under a five-agent setting, KVCOMM achieves up to 7.8× speedup compared to the standard prefill pipeline, reducing TTFT from ∼430ms to ∼55ms. Code is available at https://github.com/FastMAS/KVCOMM.
Pro3D-Editor: A Progressive-Views Perspective for Consistent and Precise 3D Editing
Authors: Yang Zheng; Mengqi Huang; Nan Chen; Zhendong Mao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Text-guided 3D editing aims to precisely edit semantically relevant local 3D regions, which has significant potential for various practical applications ranging from 3D games to film production. Existing methods typically follow a view-indiscriminate paradigm: editing 2D views indiscriminately and projecting them back into 3D space. However, they overlook the different cross-view interdependencies, resulting in inconsistent multi-view editing. In this study, we argue that ideal consistent 3D editing can be achieved through a progressive-views paradigm, which propagates editing semantics from the editing-salient view to other editing-sparse views. Specifically, we propose Pro3D-Editor, a novel framework, which mainly includes Primary-view Sampler, Key-view Render, and Full-view Refiner. Primary-view Sampler dynamically samples and edits the most editing-salient view as the primary view. Key-view Render accurately propagates editing semantics from the primary view to other key views through its Mixture-of-View-Experts Low-Rank Adaption (MoVE-LoRA). Full-view Refiner edits and refines the 3D object based on the edited multi-views. Extensive experiments demonstrate that our method outperforms existing methods in editing accuracy and spatial consistency.
FlexEvent: Towards Flexible Event-Frame Object Detection at Varying Operational Frequencies
Authors: Dongyue Lu; Lingdong Kong; Gim Hee Lee; Camille Simon Chane; Wei Tsang Ooi
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Event cameras offer unparalleled advantages for real-time perception in dynamic environments, thanks to the microsecond-level temporal resolution and asynchronous operation. Existing event detectors, however, are limited by fixed-frequency paradigms and fail to fully exploit the high-temporal resolution and adaptability of event data. To address these limitations, we propose FlexEvent, a novel framework that enables detection at varying frequencies. Our approach consists of two key components: FlexFuse, an adaptive event-frame fusion module that integrates high-frequency event data with rich semantic information from RGB frames, and FlexTune, a frequency-adaptive fine-tuning mechanism that generates frequency-adjusted labels to enhance model generalization across varying operational frequencies. This combination allows our method to detect objects with high accuracy in both fast-moving and static scenarios, while adapting to dynamic environments. Extensive experiments on large-scale event camera datasets demonstrate that our approach surpasses state-of-the-art methods, achieving significant improvements in both standard and high-frequency settings. Notably, our method maintains robust performance when scaling from 20 Hz to 90 Hz and delivers accurate detection up to 180 Hz, proving its effectiveness in extreme conditions. Our framework sets a new benchmark for event-based object detection and paves the way for more adaptable, real-time vision systems.
Evolutionary Prediction Games
Authors: Eden Saig; Nir Rosenfeld
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: When a prediction algorithm serves a collection of users, disparities in prediction quality are likely to emerge. If users respond to accurate predictions by increasing engagement, inviting friends, or adopting trends, repeated learning creates a feedback loop that shapes both the model and the population of its users. In this work, we introduce evolutionary prediction games, a framework grounded in evolutionary game theory which models such feedback loops as natural-selection processes among groups of users. Our theoretical analysis reveals a gap between idealized and real-world learning settings: In idealized settings with unlimited data and computational power, repeated learning creates competition and promotes competitive exclusion across a broad class of behavioral dynamics. However, under realistic constraints such as finite data, limited compute, or risk of overfitting, we show that stable coexistence and mutualistic symbiosis between groups becomes possible. We analyze these possibilities in terms of their stability and feasibility, present mechanisms that can sustain their existence, and empirically demonstrate our findings.
Structural Entropy Guided Agent for Detecting and Repairing Knowledge Deficiencies in LLMs
Authors: Yifan Wei; Xiaoyan Yu; Tengfei Pan; Angsheng Li; Li Du
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Large language models (LLMs) have achieved unprecedented performance by leveraging vast pretraining corpora, yet their performance remains suboptimal in knowledge-intensive domains such as medicine and scientific research, where high factual precision is required.
While synthetic data provides a promising avenue for augmenting domain knowledge, 
existing methods frequently generate redundant samples that do not align with the model’s true knowledge gaps. 
To overcome this limitation, 
we propose a novel Structural Entropy-guided Knowledge Navigator (SENATOR) framework that addresses the intrinsic knowledge deficiencies of LLMs. 
Our approach employs the Structure Entropy (SE) metric to quantify uncertainty along knowledge graph paths and leverages Monte Carlo Tree Search (MCTS) to selectively explore regions where the model lacks domain-specific knowledge. 
Guided by these insights, the framework generates targeted synthetic data for supervised fine-tuning, enabling continuous self-improvement. 
Experimental results on LLaMA-3 and Qwen2 across multiple domain-specific benchmarks show that SENATOR effectively detects and repairs knowledge deficiencies, achieving notable performance improvements.
Spiral: Semantic-Aware Progressive LiDAR Scene Generation and Understanding
Authors: Dekai Zhu; Yixuan Hu; Youquan Liu; Dongyue Lu; Lingdong Kong; Slobodan Ilic
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Leveraging diffusion models, 3D LiDAR scene generation has achieved great success in both range-view and voxel-based representations. While recent voxel-based approaches can generate both geometric structures and semantic labels, existing range-view methods are limited to producing unlabeled LiDAR scenes. Relying on pretrained segmentation models to predict the semantic maps often results in suboptimal cross-modal consistency. To address this limitation while preserving the advantages of range-view representations, such as computational efficiency and simplified network design, we propose Spiral, a novel range-view LiDAR diffusion model that simultaneously generates depth, reflectance images, and semantic maps. Furthermore, we introduce novel semantic-aware metrics to evaluate the quality of the generated labeled range-view data. Experiments on SemanticKITTI and nuScenes datasets demonstrate that Spiral achieves state-of-the-art performance with the smallest parameter size, outperforming two-step methods that combine the best available generative and segmentation models. Additionally, we validate that Spiral’s generated range images can be effectively used for synthetic data augmentation in the downstream segmentation training, significantly reducing the labeling effort on LiDAR data.
VideoLucy: Deep Memory Backtracking for Long Video Understanding
Authors: Jialong Zuo; Yongtai Deng; Lingdong Kong; Jingkang Yang; Rui Jin; Yiwei Zhang; Nong Sang; Liang Pan; Ziwei Liu; Changxin Gao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Recent studies have shown that agent-based systems leveraging large language models (LLMs) for key information retrieval and integration have emerged as a promising approach for long video understanding. However, these systems face two major challenges. First, they typically perform modeling and reasoning on individual frames, struggling to capture the temporal context of consecutive frames. Second, to reduce the cost of dense frame-level captioning, they adopt sparse frame sampling, which risks discarding crucial information. To overcome these limitations, we propose VideoLucy, a deep memory backtracking framework for long video understanding. Inspired by the human recollection process from coarse to fine, VideoLucy employs a hierarchical memory structure with progressive granularity. This structure explicitly defines the detail level and temporal scope of memory at different hierarchical depths. Through an agent-based iterative backtracking mechanism, VideoLucy systematically mines video-wide, question-relevant deep memories until sufficient information is gathered to provide a confident answer. This design enables effective temporal understanding of consecutive frames while preserving critical details. In addition, we introduce EgoMem, a new benchmark for long video understanding. EgoMem is designed to comprehensively evaluate a model's ability to understand complex events that unfold over time and capture fine-grained details in extremely long videos. Extensive experiments demonstrate the superiority of VideoLucy. Built on open-source models, VideoLucy significantly outperforms state-of-the-art methods on multiple long video understanding benchmarks, achieving performance even surpassing the latest proprietary models such as GPT-4o. Our code and dataset will be made publicly available.