GenAI4ELab/papercli-papers huggingface dataset:
Fairness-Regularized Online Optimization with Switching Costs
Authors: Pengfei Li; Yuelin Han; Adam Wierman; Shaolei Ren
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Fairness and action smoothness are two crucial considerations in many online optimization problems, but they have yet to be addressed simultaneously. In this paper, we study a new and challenging setting of fairness-regularized smoothed online convex optimization with switching costs. First, to highlight the fundamental challenges introduced by the long-term fairness regularizer evaluated based on the entire sequence of actions, we prove that even without switching costs, no online algorithms can possibly achieve a sublinear regret or finite competitive ratio compared to the offline optimal algorithm as the problem episode length $T$ increases. Then, we propose **FairOBD** (Fairness-regularized Online Balanced Descent), which reconciles the tension between minimizing the hitting cost, switching cost, and fairness cost. Concretely, **FairOBD** decomposes the long-term fairness cost into a sequence of online costs by introducing an auxiliary variable and then leverages the auxiliary variable to regularize the online actions for fair outcomes. Based on a new approach to account for switching costs, we prove that **FairOBD** offers a worst-case asymptotic competitive ratio against a novel benchmark---the optimal offline algorithm with parameterized constraints---by considering $T\to\infty$. Finally, we run trace-driven experiments of dynamic computing resource provisioning for socially responsible AI inference to empirically evaluate **FairOBD**, showing that **FairOBD** can effectively reduce the total fairness-regularized cost and better promote fair outcomes compared to existing baseline solutions.
Self-supervised Blending Structural Context of Visual Molecules for Robust Drug Interaction Prediction
Authors: Tengfei Ma; Kun Chen; Yongsheng Zang; Yujie Chen; Xuanbai Ren; Bosheng Song; hongxin xiang; Yiping Liu; xiangxiang Zeng
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Identifying drug-drug interactions (DDIs) is critical for ensuring drug safety and advancing drug development, a topic that has garnered significant research interest. While existing methods have made considerable progress, approaches relying solely on known DDIs face a key challenge when applied to drugs with limited data: insufficient exploration of the space of unlabeled pairwise drugs.  To address these issues, we innovatively introduce S$^2$VM, a Self-supervised Visual pretraining framework for pair-wise Molecules, to fully fuse structural representations and explore the space of drug pairs for DDI prediction. S$^2$VM incorporates the explicit structure and correlations of visual molecules, such as the positional relationships and connectivity between functional substructures. Specifically, we blend the visual fragments of drug pairs into a unified input for joint encoding and then recover molecule-specific visual information for each drug individually. This approach integrates fine-grained structural representations from unlabeled drug pair data. By using visual fragments as anchors, S$^2$VM effectively captures the spatial information of local molecular components within visual molecules, resulting in more comprehensive embeddings of drug pairs. Experimental results show that S$^2$VM achieves state-of-the-art performance on widely used benchmarks, with Macro-F1 score improvements of 4.21% and 3.31%, respectively. Further extensive results and theoretical analysis demonstrate the effectiveness of S$^2$VM for both few-shot and novel drugs.
Recurrent Attention-based Token Selection for Efficient Streaming Video-LLMs
Authors: Vaggelis Dorovatas; Soroush Seifi; Gunshi Gupta; Rahaf Aljundi
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Video Large Language Models (Video-LLMs) excel at understanding videos in-context, assuming full access to the video when answering queries. However, these models face challenges in streaming scenarios where hour-long videos must be processed online, and questions need timely responses. In this work, we propose a training-free approach compatible with standard Video-LLMs, leveraging three key concepts: 1) LLM-informed selection of visual tokens to identify those that the LLM has attended to and contributed to its understanding of each short clip. Our attention-based selection allows us to discard up to ~95\% of unimportant visual tokens with minimal performance loss; 2) Hierarchical selection of tokens combined with natural language understanding of each processed clip; 3) Caption-based question answering for lightweight and accurate responses. Our method achieves state-of-the-art performance on streaming video benchmarks, striking a balance between efficiency and effectiveness.
Faithful Dynamic Imitation Learning from Human Intervention with Dynamic Regret Minimization
Authors: Bo Ling; Zhengyu Gan; Wanyuan Wang; Guanyu Gao; Weiwei Wu; Yan Lyu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Human-in-the-loop (HIL) imitation learning enables agents to learn complex behaviors safely through real-time human intervention. However, existing methods struggle to efficiently leverage agent-generated data due to dynamically evolving trajectory distributions and imperfections caused by human intervention delays, often failing to faithfully imitate the human expert policy. In this work, we propose Faithful Dynamic Imitation Learning (FaithDaIL) to address these challenges. We formulate HIL imitation learning as an online non-convex problem and employ dynamic regret minimization to adapt to the shifting data distribution and track high-quality policy trajectories. 
To ensure faithful imitation of the human expert despite training on mixed agent and human data, we introduce an unbiased imitation objective and achieve it by weighting the behavior distribution relative to the human expert's as a proxy reward.
Extensive experiments on MetaDrive and CARLA driving benchmarks demonstrate that FaithDaIL achieves state-of-the-art performance in safety and task success with significantly reduced human intervention data compared to prior HIL baselines.
LeapFactual: Reliable Visual Counterfactual Explanation Using Conditional Flow Matching
Authors: Zhuo Cao; Xuan Zhao; Lena Krieger; Hanno Scharr; Ira Assent
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The growing integration of machine learning (ML) and artificial intelligence (AI) models into high-stakes domains such as healthcare and scientific research calls for models that are not only accurate but also interpretable. Among the existing explainable methods, counterfactual explanations offer interpretability by identifying minimal changes to inputs that would alter a model’s prediction, thus providing deeper insights. However, current counterfactual generation methods suffer from critical limitations, including gradient vanishing, discontinuous latent spaces, and an overreliance on the alignment between learned and true decision boundaries. 
To overcome these limitations, we propose LeapFactual, a novel counterfactual explanation algorithm based on conditional flow matching. LeapFactual generates reliable and informative counterfactuals, even when true and learned decision boundaries diverge. LeapFactual is not limited to models with differentiable loss functions. It can even handle human-in-the-loop systems, expanding the scope of counterfactual explanations to domains that require the participation of human annotators, such as citizen science. We provide extensive experiments on benchmark and real-world datasets highlighting that LeapFactual generates accurate and in-distribution counterfactual explanations that offer actionable insights. We observe, for instance, that our reliable counterfactual samples with labels aligning to ground truth can be beneficially used as new training data to enhance the model. The proposed method is diversely applicable and enhances scientific knowledge discovery as well as non-expert interpretability.
L2RSI: Cross-view LiDAR-based Place Recognition for Large-scale Urban Scenes via Remote Sensing Imagery
Authors: Ziwei Shi; Xiaoran Zhang; Wenjing Xu; Yan Xia; Yu Zang; Siqi Shen; Cheng Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We tackle the challenge of LiDAR-based place recognition, which traditionally depends on costly and time-consuming prior 3D maps. 
To overcome this, we first construct LiRSI-XA dataset, which encompasses approximately $110,000$ remote sensing submaps and $13,000$ LiDAR point cloud submaps captured in urban scenes, and propose a novel method, L2RSI, for cross-view LiDAR place recognition using high-resolution Remote Sensing Imagery. This approach enables large-scale localization capabilities at a reduced cost by leveraging readily available overhead images as map proxies. L2RSI addresses the dual challenges of cross-view and cross-modal place recognition by learning feature alignment between point cloud submaps and remote sensing submaps in the semantic domain. Additionally, we introduce a novel probability propagation method based on particle estimation to refine position predictions, effectively leveraging temporal and spatial information. This approach enables large-scale retrieval and cross-scene generalization without fine-tuning. Extensive experiments on LiRSI-XA demonstrate that, within a $100km^2$ retrieval range, L2RSI accurately localizes $83.27\%$ of point cloud submaps within a $30m$ radius for top-$1$ retrieved location. Our project page is publicly available at https://shizw695.github.io/L2RSI/.
Additive Models Explained: A Computational Complexity Approach
Authors: Shahaf Bassan; Michal Moshkovitz; Guy Katz
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Generalized Additive Models (GAMs) are commonly considered *interpretable* within the ML community, as their structure makes the relationship between inputs and outputs relatively understandable. Therefore, it may seem natural to hypothesize that obtaining meaningful explanations for GAMs could be performed efficiently and would not be computationally infeasible. In this work, we challenge this hypothesis by analyzing the *computational complexity* of generating different explanations for various forms of GAMs across multiple contexts. Our analysis reveals a surprisingly diverse landscape of both positive and negative complexity outcomes. Particularly, under standard complexity assumptions such as P$\neq$NP, we establish several key findings: (1) in stark contrast to many other common ML models, the complexity of generating explanations for GAMs is heavily influenced by the structure of the input space; (2) the complexity of explaining GAMs varies significantly with the types of component models used - but interestingly, these differences only emerge under specific input domain settings; (3) significant complexity distinctions appear for obtaining explanations in regression tasks versus classification tasks in GAMs; and (4) expressing complex models like neural networks additively (e.g., as neural additive models) can make them easier to explain, though interestingly, this benefit appears only for certain explanation methods and input domains. Collectively, these results shed light on the feasibility of computing diverse explanations for GAMs, offering a rigorous theoretical picture of the conditions under which such computations are possible or provably hard.
UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End Ligand Binding Site Detection
Authors: Jigang Fan; QuanLin Wu; Shengjie Luo; Liwei Wang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design. Despite notable advances in recent years, existing methods, datasets, and evaluation metrics are confronted with several key challenges: (1) current datasets and methods are centered on individual protein–ligand complexes and neglect that diverse binding sites may exist across multiple complexes of the same protein, introducing significant statistical bias; (2) ligand binding site detection is typically modeled as a discontinuous workflow, employing binary segmentation and subsequent clustering algorithms; (3) traditional evaluation metrics do not adequately reflect the actual performance of different binding site prediction methods. To address these issues, we first introduce UniSite-DS, the first UniProt (Unique Protein)-centric ligand binding site dataset, which contains 4.81 times more multi-site data and 2.08 times more overall data compared to the previously most widely used datasets. We then propose UniSite, the first end-to-end ligand binding site detection framework supervised by set prediction loss with bijective matching. In addition, we introduce Average Precision based on Intersection over Union (IoU) as a more accurate evaluation metric for ligand binding site prediction. Extensive experiments on UniSite-DS and several representative benchmark datasets demonstrate that IoU-based Average Precision provides a more accurate reflection of prediction quality, and that UniSite outperforms current state-of-the-art methods in ligand binding site detection. The dataset and codes will be made publicly available at https://github.com/quanlin-wu/unisite.
Towards Robust Pseudo-Label Learning in Semantic Segmentation: An Encoding Perspective
Authors: Wangkai Li; Rui Sun; Zhaoyang Li; Tianzhu Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Pseudo-label learning is widely used in semantic segmentation, particularly in label-scarce scenarios such as unsupervised domain adaptation (UDA) and semi-supervised learning (SSL). Despite its success, this paradigm can generate erroneous pseudo-labels, which are further amplified during training due to utilization of one-hot encoding. To address this issue,  we propose ECOCSeg, a novel perspective for segmentation models that utilizes error-correcting output codes (ECOC) to create a fine-grained encoding for each class. ECOCSeg offers several advantages. First, an ECOC-based classifier is introduced, enabling model to disentangle classes into attributes and handle partial inaccurate bits, improving stability and generalization in pseudo-label learning. Second, a bit-level label denoising mechanism is developed to generate higher-quality pseudo-labels, providing adequate and robust supervision for unlabeled images. ECOCSeg can be easily integrated with existing methods and consistently demonstrates significant improvements on multiple UDA and SSL benchmarks across different segmentation architectures. Code is available at https://github.com/Woof6/ECOCSeg.
RoomEditor: High-Fidelity Furniture Synthesis with Parameter-Sharing U-Net
Authors: Zhenyi Lin; Xiaofan Ming; Qilong Wang; Dongwei Ren; Wangmeng Zuo; Qinghua Hu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Virtual furniture synthesis, a critical task in image composition, aims to seamlessly integrate reference objects into indoor scenes while preserving geometric coherence and visual realism. Despite its significant potential in home design applications, this field remains underexplored due to two major challenges: the absence of publicly available and ready-to-use benchmarks hinders reproducible research, and existing image composition methods fail to meet the stringent fidelity requirements for realistic furniture placement. To address these issues, we introduce RoomBench, a ready-to-use benchmark dataset for virtual furniture synthesis, comprising 7,298 training pairs and 895 testing samples across 27 furniture categories. Then, we propose RoomEditor, a simple yet effective image composition method that employs a parameter-sharing dual U-Net architecture, ensuring better feature consistency by sharing weights between dual branches. Technical analysis reveals that conventional dual-branch architectures generally suffer from inconsistent intermediate features due to independent processing of reference and background images. In contrast, RoomEditor enforces unified feature learning through shared parameters, thereby facilitating model optimization for robust geometric alignment and maintaining visual consistency. Experiments show our RoomEditor is superior to state-of-the-arts, while generalizing directly to diverse objects synthesis in unseen scenes without task-specific fine-tuning. 
Our dataset and code are available at https://github.com/stonecutter-21/roomeditor.
CAMO: Convergence-Aware Multi-Fidelity Bayesian Optimization
Authors: WEI W. XING; Lu Zhenjie; Akeel Shah
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Existing Multi-fidelity Bayesian Optimization (MFBO) methods ignore the convergence behavior of the multi-fidelity surrogate as the fidelity increases, leading to inefficient exploration and suboptimal performance. We introduce CAMO (Convergence-Aware Multi-fidelity Optimization), a principled framework based on Linear Fidelity Differential Equations (LFiDEs) that explicitly encodes  convergence of fidelity-indexed outputs and employs a closed-form nonstationary kernel. We rigorously prove the existence and pointwise/uniform convergence to the high fidelity surrogate under mild restrictions and provide new convergence results for general FiDEs using smooth, non-smooth and even non-convex Lyapunov functions, establishing a bridge between MFBO and the theory of subgradient flows  in non-smooth optimisation theory.  Combined with a fidelity-aware acquisition function,  CAMO outperforms state-of-the-art MFBO methods on a majority  of synthetic and real-world benchmarks, with up to a four-fold improvement in optimisation performance and a dramatic speed-up in convergence. CAMO offers a tractable and theoretically grounded approach to convergence-aware MFBO.
CHPO: Constrained Hybrid-action Policy Optimization for Reinforcement Learning
Authors: Ao Zhou; Jiayi Guan; Li Shen; Fan Lu; Sanqing Qu; Junqiao Zhao; Ziqiao Wang; Ya Wu; Guang Chen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Constrained hybrid-action reinforcement learning (RL) promises to learn a safe policy within a parameterized action space, which is particularly valuable for safety-critical applications involving discrete-continuous hybrid action spaces. However, existing hybrid-action RL algorithms primarily focus on reward maximization, which faces significant challenges for tasks involving both cost constraints and hybrid action spaces. In this work, we propose a novel Constrained Hybrid-action Policy Optimization algorithm (CHPO) to address the problems of constrained hybrid-action RL. Concretely, we rethink the limitations of hybrid-action RL in handling safe tasks with parameterized action spaces and reframe the objective of constrained hybrid-action RL by introducing the concept of Constrained Parameterized-action Markov Decision Process (CPMDP). Subsequently, we present a constrained hybrid-action policy optimization algorithm to confront the constrained hybrid-action problems and conduct theoretical analyses demonstrating that the CHPO converges to the optimal solution while satisfying safety constraints. Finally, extensive experiments demonstrate that the CHPO achieves competitive performance across multiple experimental tasks.
DOVTrack: Data-Efficient Open-Vocabulary Tracking
Authors: Zekun Qian; Ruize Han; Zhixiang Wang; Junhui Hou; Wei Feng
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Open-Vocabulary Multi-Object Tracking (OVMOT) aims to detect and track multi-category objects including both seen and unseen categories during training.
		Currently, a significant challenge in this domain is the lack of large-scale annotated video data for training.
		To address this challenge, this work aims to effectively train the OV tracker using only the existing limited and sparsely annotated video data.
		We propose a comprehensive training sample space expansion strategy that addresses the fundamental limitation of sparse annotations in OVMOT training. Specifically, for the association task, we develop a diffusion-based feature generation framework that synthesizes intermediate object features between sparsely annotated frames, effectively expanding the training sample space by approximately 3× and enabling robust association learning from temporally continuous features. For the detection task, we introduce a dynamic group contrastive learning approach that generates diverse sample groups through affinity, dispersion, and adversarial grouping strategies, tripling the effective training samples for classification while maintaining sample quality. Additionally, we propose an adaptive localization loss that expands positive sample coverage by lowering IoU thresholds while mitigating noise through confidence-based weighting. Extensive experiments demonstrate that our method achieves state-of-the-art performance on the OVMOT benchmark, surpassing existing methods by 3.8\% in TETA metric, without requiring additional data or annotations. The code will be available at https://github.com/zekunqian/DOVTrack.
When Semantics Mislead Vision: Mitigating Large Multimodal Models Hallucinations in Scene Text Spotting and Understanding
Authors: Yan Shu; Hangui Lin; Yexin Liu; Yan Zhang; Gangyan Zeng; Yan Li; Yu ZHOU; Ser-Nam Lim; Harry Yang; Nicu Sebe
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Large Multimodal Models (LMMs) have achieved impressive progress in visual perception and reasoning. However, when confronted with visually ambiguous or non-semantic scene text, they often struggle to accurately spot and understand the content, frequently generating semantically plausible yet visually incorrect answers, which we refer to as semantic hallucination.
In this work, we investigate the underlying causes of semantic hallucination and identify a key finding:  Transformer layers in LLM with stronger attention focus on scene text regions are less prone to producing semantic hallucinations.
 Thus, we propose a training-free semantic hallucination mitigation framework comprising two key components: (1) ZoomText, a coarse-to-fine strategy that identifies potential text regions without external detectors; and (2) Grounded Layer Correction, which adaptively leverages the internal representations from layers less prone to hallucination to guide decoding, correcting hallucinated outputs for non-semantic samples while preserving the semantics of meaningful ones. To enable rigorous evaluation, we introduce TextHalu-Bench, a benchmark of  1,740 samples spanning both semantic and non-semantic cases, with manually curated question–answer pairs designed to probe model hallucinations.
Extensive experiments demonstrate that our method not only effectively mitigates semantic hallucination but also achieves strong performance on public benchmarks for scene text spotting and understanding.