GenAI4ELab/papercli-papers huggingface dataset:
Hybrid-Balance GFlowNet for Solving Vehicle Routing Problems
Authors: Ni Zhang; Zhiguang Cao
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Existing GFlowNet-based methods for vehicle routing problems (VRPs) typically employ Trajectory Balance (TB) to achieve global optimization but often neglect important aspects of local optimization. While Detailed Balance (DB) addresses local optimization more effectively, it alone falls short in solving VRPs, which inherently require holistic trajectory optimization. To address these limitations, we introduce the Hybrid-Balance GFlowNet (HBG) framework, which uniquely integrates TB and DB in a principled and adaptive manner by aligning their intrinsically complementary strengths. Additionally, we propose a specialized inference strategy for depot-centric scenarios like the Capacitated Vehicle Routing Problem (CVRP), leveraging the depot node's greater flexibility in selecting successors. Despite this specialization, HBG maintains broad applicability, extending effectively to problems without explicit depots, such as the Traveling Salesman Problem (TSP). We evaluate HBG by integrating it into two established GFlowNet-based solvers, i.e., AGFN and GFACS, and demonstrate consistent and significant improvements across both CVRP and TSP, underscoring the enhanced solution quality and generalization afforded by our approach.
Path-specific effects for pulse-oximetry guided decisions in critical care
Authors: Kevin Zhang; Yonghan Jung; Divyat Mahajan; Karthikeyan Shanmugam; Shalmali Joshi
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Identifying and measuring biases associated with sensitive attributes is a crucial consideration in healthcare to prevent treatment disparities. One prominent issue is inaccurate pulse oximeter readings, which tend to overestimate oxygen saturation for dark-skinned patients and misrepresent supplemental oxygen needs. Most existing research has revealed *statistical disparities* linking device measurement errors to patient outcomes in intensive care units (ICUs) without causal formalization. This study *causally* investigates how racial discrepancies in oximetry measurements affect invasive ventilation in ICU settings. We employ a causal inference-based approach using *path-specific effects* to isolate the impact of bias by race on clinical decision-making. To estimate these effects, we leverage a doubly robust estimator, propose its self-normalized variant for improved sample efficiency, and provide novel finite-sample guarantees. Our methodology is validated on semi-synthetic data and applied to two large real-world health datasets: MIMIC-IV and eICU. Contrary to prior work, our analysis reveals minimal impact of racial discrepancies on invasive ventilation rates. However, path-specific effects mediated by oxygen saturation disparity are more pronounced on ventilation duration, and the severity differs across datasets. Our work provides a novel pipeline for investigating potential disparities in clinical decision-making and, more importantly, highlights the necessity of causal methods to robustly assess fairness in healthcare.
Learning Source-Free Domain Adaptation for Visible-Infrared Person Re-Identification
Authors: Yongxiang Li; Yanglin Feng; Yuan Sun; Dezhong Peng; Xi Peng; Peng Hu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In this paper, we investigate source-free domain adaptation (SFDA) for visible-infrared person re-identification (VI-ReID), aiming to adapt a pre-trained source model to an unlabeled target domain without access to source data. To address this challenging setting, we propose a novel learning paradigm, termed Source-Free Visible-Infrared Person Re-Identification (SVIP), which fully exploits the prior knowledge embedded in the source model to guide target domain adaptation. The proposed framework comprises three key components specifically designed for the source-free scenario: 1) a Source-Guided Contrastive Learning (SGCL) module, which leverages the discriminative feature space of the frozen source model as a reference to perform contrastive learning on the unlabeled target data, thereby preserving discrimination without requiring source samples; 2) a Residual Transfer Learning (RTL) module, which learns residual mappings to adapt the target model’s representations while maintaining the knowledge from the source model; and 3) a Structural Consistency-Guided Cross-modal Alignment (SCCA) module, which enforces reciprocal structural constraints between visible and infrared modalities to identify reliable cross-modal pairs and achieve robust modality alignment without source supervision. Extensive experiments on benchmark datasets demonstrate that SVIP substantially enhances target domain performance and outperforms existing unsupervised VI-ReID methods under source-free settings.
Diffusion Federated Dataset
Authors: Seok-Ju Hahn; Junghye Lee
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Diffusion models have demonstrated decent generation quality, yet their deployment in federated learning scenarios remains challenging. Due to data heterogeneity and a large number of parameters, conventional parameter averaging schemes often fail to achieve stable collaborative training of diffusion models. We reframe collaborative synthetic data generation as a cooperative sampling procedure from a mixture of decentralized distributions, each encoded by a pre-trained local diffusion model. This leverages the connection between diffusion and energy-based models, which readily supports compositional generation thereof. Consequently, we can directly obtain refined synthetic dataset, optionally with differential privacy guarantee, even without exchanging diffusion model parameters. Our framework reduces communication overhead while maintaining the generation quality, realized through an unadjusted Langevin algorithm with a convergence guarantee.
Non-Uniform Multiclass Learning with Bandit Feedback
Authors: Steve Hanneke; Amirreza Shaeiri; Hongao Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We study the problem of multiclass learning with bandit feedback in both the i.i.d. batch and adversarial online models. In the *uniform* learning framework, it is well known that no hypothesis class $\mathcal{H}$ is learnable in either model when the effective number of labels is unbounded. In contrast, within the *universal* learning framework, recent works by (Hanneke et al., 2025b) and (Hanneke et al., 2025a) have established surprising exact equivalences between learnability under bandit feedback and full supervision in both the i.i.d. batch and adversarial online models, respectively. This raises a natural question: What happens in the *non-uniform* learning framework, which lies between the uniform and universal learning frameworks? Our contributions are twofold: (1) We provide a combinatorial characterization of learnable hypothesis classes in both models, in the realizable and agnostic settings, within the non-uniform learning framework. Notably, this includes elementary and natural hypothesis classes, such as a countably infinite collection of constant functions over some domain that is learnable in both models. (2) We construct a hypothesis class that is non-uniformly learnable under full supervision in the adversarial online model (and thus also in the i.i.d. batch model), but not non-uniformly learnable under bandit feedback in the i.i.d. batch model (and thus also not in the adversarial online model). This serves as our main novel technical contribution that reveals a fundamental distinction between the non-uniform and universal learning frameworks.
Feedback-Aware MCTS for Goal-Oriented Information Seeking
Authors: Harshita Chopra; Chirag Shah
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Effective decision-making and problem-solving in conversational systems require the ability to identify and acquire missing information through targeted questioning. A key challenge lies in efficiently narrowing down a large space of possible outcomes by posing questions that minimize uncertainty. To address this, we introduce a novel framework that leverages Large Language Models (LLMs) to generate information-seeking questions, with Monte Carlo Tree Search (MCTS) to strategically select questions that maximize information gain, as a part of inference-time planning. Our primary contribution includes a hierarchical feedback mechanism that exploits past interaction patterns to guide future strategy. Specifically, each new problem is mapped to a cluster based on semantic similarity, and our UCT (Upper Confidence bound for Trees) formulation employs a cluster-specific bonus reward to prioritize successful question trajectories that have proven effective for similar problems in the past. Extensive empirical evaluation across medical diagnosis and technical troubleshooting domains shows that our method achieves an average of 12\% improvement in success rates and about 10x reduction in the number of LLM calls made for planning per conversation, compared to the state of the art. An additional 8\% gain in success rate is observed on average when we start with a constrained set of possibilities. Our results underscore the efficacy of feedback-aware MCTS in enhancing information-seeking in goal-oriented dialogues.
Aligning Transformers with Continuous Feedback via Energy Rank Alignment
Authors: Shriram Chennakesavalu; Frank Hu; Sebastian Ibarraran; Grant M. Rotskoff
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have yielded powerful generators, but we still lack robust strategies for generating molecules with desired properties. This molecular search problem closely resembles the "alignment" problem for large language models, though for many chemical tasks we have a specific and easily evaluable reward function. Here, we introduce an algorithm called energy rank alignment (ERA) that leverages an explicit reward function to produce a gradient-based objective that we use to optimize autoregressive policies.  
We show theoretically that this algorithm is closely related to proximal policy optimization (PPO) and direct preference optimization (DPO), but has a minimizer that converges to an ideal Gibbs-Boltzmann distribution with the reward playing the role of an energy function. 
Furthermore, this algorithm is highly scalable, does not require reinforcement learning, and performs well relative to DPO when the number of preference observations per pairing is small. We deploy this approach to align molecular transformers and protein language models to generate molecules and protein sequences, respectively, with externally specified
properties and find that it does so robustly, searching through diverse parts of chemical space.
Robust Hyperbolic Learning with Curvature-Aware Optimization
Authors: Ahmad Bdeir; Johannes Burchert; Lars Schmidt-Thieme; Niels Landwehr
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Hyperbolic deep learning has become a growing research direction in computer vision due to the unique properties afforded by the alternate embedding space. The negative curvature and exponentially growing distance metric provide a natural framework for capturing hierarchical relationships between datapoints and allowing for finer separability between their embeddings. However, current hyperbolic learning approaches are still prone to overfitting, computationally expensive, and prone to instability, especially when attempting to learn the manifold curvature to adapt to tasks and different datasets. To address these issues, our paper presents a derivation for Riemannian AdamW that helps increase hyperbolic generalization ability. For improved stability, we introduce a novel fine-tunable hyperbolic scaling approach to constrain hyperbolic embeddings and reduce approximation errors. Using this along with our curvature-aware learning schema for Riemannian Optimizers enables the combination of curvature and non-trivialized hyperbolic parameter learning. Our approach demonstrates consistent performance improvements across Computer Vision, EEG classification, and hierarchical metric learning tasks while greatly reducing runtime.
VERA: Variational Inference Framework for Jailbreaking Large Language Models
Authors: Anamika Lochab; Lu Yan; Patrick Pynadath; Xiangyu Zhang; Ruqi Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The rise of API-only access to state-of-the-art LLMs highlights the need for effective black-box jailbreak methods to identify model vulnerabilities in real-world settings. Without a principled objective for gradient-based optimization, most existing approaches rely on genetic algorithms, which are limited by their initialization and dependence on manually curated prompt pools. Furthermore, these methods require individual optimization for each prompt, failing to provide a comprehensive characterization of model vulnerabilities.
To address this gap, we introduce VERA: Variational infErence fRamework for jAilbreaking. VERA casts black-box jailbreak prompting as a variational inference problem, training a small attacker LLM to approximate the target LLM’s posterior over adversarial prompts. Once trained, the attacker can generate diverse, fluent jailbreak prompts for a target query without re-optimization. Experimental results show that VERA achieves strong performance across a range of target LLMs, highlighting the value of probabilistic inference for adversarial prompt generation.
Self-Supervised Learning of Motion Concepts by Optimizing Counterfactuals
Authors: Stefan Stojanov; David Wendt; Seungwoo Kim; Rahul Mysore Venkatesh; Kevin Feigelis; Klemen Kotar; Khai Loong Aw; Jiajun Wu; Daniel LK Yamins
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Estimating motion primitives from video (e.g., optical flow and occlusion) is a critically important computer vision problem with many downstream applications, including controllable video generation and robotics. Current solutions are primarily supervised on synthetic data or require tuning of situation-specific heuristics, which inherently limits these models' capabilities in real-world contexts. A natural solution to transcend these limitations would be to deploy large-scale, self-supervised video models, which can be trained scalably on unrestricted real-world video datasets. However, despite recent progress, motion-primitive extraction from large pretrained video models remains relatively underexplored. In this work, we describe Opt-CWM, a self-supervised flow and occlusion estimation technique from a pretrained video prediction model. Opt-CWM uses ``counterfactual probes'' to extract motion information from a base video model in a zero-shot fashion. The key problem we solve is optimizing the quality of these probes, using a combination of an efficient parameterization of the space counterfactual probes, together with a novel generic sparse-prediction principle for learning the probe-generation parameters in a self-supervised fashion. Opt-CWM achieves state-of-the-art performance for motion estimation on real-world videos while requiring no labeled data.
Neurons as Detectors of Coherent Sets in Sensory Dynamics
Authors: Joshua L. Pughe-Sanford; Xuehao Ding; Jason J Moore; Anirvan M. Sengupta; Charles Epstein; Philip Greengard; Dmitri Chklovskii
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We model sensory streams as observations from high-dimensional stochastic dynamical systems and conceptualize sensory neurons as self-supervised learners of compact representations of such dynamics. From prior experience, neurons learn {\it coherent sets}—regions of stimulus state space whose trajectories evolve cohesively over finite times—and assign membership indices to new stimuli. Coherent sets are identified via spectral clustering of the {\it stochastic Koopman operator (SKO)}, where the sign pattern of a subdominant singular function partitions the state space into minimally coupled regions. For multivariate Ornstein–Uhlenbeck processes, this singular function reduces to a linear projection onto the dominant singular vector of the whitened state-transition matrix. Encoding this singular vector as a receptive field enables neurons to compute membership indices via the projection sign in a biologically plausible manner. Each neuron detects either a {\it predictive} coherent set (stimuli with common futures) or a {\it retrospective} coherent set (stimuli with common pasts), suggesting a functional dichotomy among neurons. Since neurons lack access to explicit dynamical equations, the requisite singular vectors must be estimated directly from data, for example, via past–future canonical correlation analysis on lag-vector representations—an approach that naturally extends to nonlinear dynamics. This framework provides a novel account of neuronal temporal filtering, the ubiquity of rectification in neural responses, and known functional dichotomies. Coherent-set clustering thus emerges as a fundamental computation underlying sensory processing and transferable to bio-inspired artificial systems.
Uncertain Knowledge Graph Completion via Semi-Supervised Confidence Distribution Learning
Authors: Tianxing Wu; Shutong Zhu; Jingting Wang; Ning Xu; Guilin Qi; Haofen Wang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Uncertain knowledge graphs (UKGs) associate each triple with a confidence score to provide more precise knowledge representations. Recently, since real-world UKGs suffer from the incompleteness, uncertain knowledge graph (UKG) completion attracts more attention, aiming to complete missing triples and confidences. Current studies attempt to learn UKG embeddings to solve this problem, but they neglect the extremely imbalanced distributions of triple confidences. This causes that the learnt embeddings are insufficient to high-quality UKG completion. Thus, in this paper, to address the above issue, we propose a new semi-supervised Confidence Distribution Learning (ssCDL) method for UKG completion, where each triple confidence is transformed into a confidence distribution to introduce more supervision information of different confidences to reinforce the embedding learning process. ssCDL iteratively learns UKG embedding by relational learning on labeled data (i.e., existing triples with confidences) and unlabeled data with pseudo labels (i.e., unseen triples with the generated confidences), which are predicted by meta-learning to augment the training data and rebalance the distribution of triple confidences. Experiments on two UKG datasets demonstrate that ssCDL consistently outperforms the state-of-the-art baselines in different evaluation metrics.
Consistently Simulating Human Personas with Multi-Turn Reinforcement Learning
Authors: Marwa Abdulhai; Ryan Cheng; Donovan Clay; Tim Althoff; Sergey Levine; Natasha Jaques
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Large Language Models (LLMs) are increasingly used to simulate human users in interactive settings such as therapy, education, and social role-play. While these simulations enable scalable training and evaluation of AI agents, off-the-shelf LLMs often drift from their assigned personas, contradict earlier statements, or abandon role-appropriate behavior. We introduce a unified framework for evaluating and improving persona consistency in LLM-generated dialogue. We define three automatic metrics—prompt-to-line consistency, line-to-line consistency, and Q\&A consistency—that capture different types of persona drift and validate each against human annotations. Using these metrics as reward signals, we apply multi-turn reinforcement learning to fine-tune LLMs for three user roles: a patient, a student, and a social chat partner. Our method reduces inconsistency by over 55%, resulting in more coherent, faithful, and trustworthy simulated users.
Reward-oriented Causal Representation Learning
Authors: Zirui Yan; Emre Acartürk; Ali Tajer
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Causal representation learning (CRL) is the process of disentangling the *latent* low-dimensional causally-related generating factors underlying high-dimensional observable data. Extensive recent studies have characterized CRL identifiability and *perfect* recovery of the latent variables and their attendant causal graph. This paper introduces the notion of *reward-oriented* CRL, the purpose of which is to move away from perfectly learning the latent representation and instead learning it to the extent needed for optimizing a desired downstream task (reward). In reward-oriented CRL, perfectly learning the latent representation can be excessive; instead, it must be learned at the *coarsest* level sufficient for optimizing the desired task. Reward-oriented CRL is formalized as the optimization of a desired function of the observable data over the space of all possible interventions and focuses on linear causal and transformation models.  To sequentially identify the optimal subset of interventions, an adaptive exploration algorithm is designed that learns the latent causal graph and the variables needed to identify the best intervention. It is shown that for an $n$-dimensional latent space and a $d$-dimensional observation space, over a horizon $T$ the algorithm's regret scales as $\tilde O(d^{\frac{1}{3}}n^{\frac{1}{3}}u^{\frac{2}{3}}T^{\frac{2}{3}} + u\sqrt{T})$, where $u$ measures total uncertainty in the graph estimates. Furthermore, an almost-matching lower bound is shown to scale as $\Omega(d^{\frac{1}{3}}n^{\frac{1}{3}}p^{\frac{2}{3}}T^{\frac{2}{3}} + p\sqrt{T})$, in which $u$ is replaced by $p$ that counts the number of causal paths in the graph.
OCTDiff: Bridged Diffusion Model for Portable OCT Super-Resolution and Enhancement
Authors: Ye Tian; Angela McCarthy; Gabriel Gomide; Nancy Liddle; Jedrzej Golebka; Royce Chen; Jeff Liebmann; Kaveri A. Thakoor
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Medical imaging super-resolution is critical for improving diagnostic utility and reducing costs, particularly for low-cost modalities such as portable Optical Coherence Tomography (OCT). We propose OCTDiff, a bridged diffusion model designed to enhance image resolution and quality from portable OCT devices. Our image-to-image diffusion framework addresses key challenges in the conditional generation process of denoising diffusion probabilistic models (DDPMs). We introduce Adaptive Noise Aggregation (ANA), a novel module to improve denoising dynamics within the reverse diffusion process. Additionally, we integrate Multi-Scale Cross-Attention (MSCA) into the U-Net backbone to capture local dependencies across spatial resolutions. To address overfitting on small clinical datasets and to preserve fine structural details essential for retinal diagnostics, we design a customized loss function guided by clinical quality scores. OCTDiff outperforms convolutional baselines and standard DDPMs, achieving state-of-the-art performance on clinical portable OCT datasets. Our model and its downstream applications have the potential to generalize to other medical imaging modalities and revolutionize the current workflow of ophthalmic diagnostics. The code is available at https://github.com/AI4VSLab/OCTDiff.