GenAI4ELab/papercli-papers huggingface dataset:
Think-RM: Enabling Long-Horizon Reasoning in Generative Reward Models
Authors: Ilgee Hong; Changlong Yu; Liang Qiu; Weixiang Yan; Zhenghao Xu; Haoming Jiang; Qingru Zhang; Qin Lu; Xin Liu; Chao Zhang; Tuo Zhao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Reinforcement learning from human feedback (RLHF) has become a powerful post-training paradigm for aligning large language models with human preferences. A core challenge in RLHF is constructing accurate reward signals, where the conventional Bradley-Terry reward models (BT RMs) often suffer from sensitivity to data size and coverage, as well as vulnerability to reward hacking. Generative reward models (GenRMs) offer a more robust alternative by generating chain-of-thought (CoT) rationales followed by a final verdict. However, existing GenRMs rely on shallow, vertically scaled reasoning, limiting their capacity to handle nuanced or complex tasks. Moreover, their pairwise preference outputs are incompatible with standard RLHF algorithms that require pointwise reward signals. In this work, we introduce Think-RM, a training framework that enables long-horizon reasoning in GenRMs by modeling an internal thinking process. Rather than producing structured, externally provided rationales, Think-RM generates flexible, self-guided reasoning traces that support advanced capabilities such as self-reflection, hypothetical reasoning, and divergent reasoning. To elicit these reasoning abilities, we first warm-up the models by supervised fine-tuning (SFT) over long CoT data. We then further improve the model's long-horizon abilities by rule-based reinforcement learning (RL). In addition, we propose a novel pairwise RLHF pipeline that directly optimizes policies from pairwise comparisons, eliminating the need for pointwise reward conversion. Experiments show that Think-RM outperforms baselines on both in-distribution and out-of-distribution tasks, with particularly strong gains on reasoning-heavy benchmarks: more than 10\% and 5\% on RewardBench's Chat Hard and Reasoning, and 12\% on RM-Bench's Math domain. When combined with our pairwise RLHF pipeline, it demonstrates superior end-policy performance compared to traditional approaches. This depth-oriented approach not only broadens the GenRM design space but also establishes a new paradigm for preference-based policy optimization in RLHF.
TRoVe: Discovering Error-Inducing Static Feature Biases in Temporal Vision-Language Models
Authors: Maya Varma; Jean-Benoit Delbrouck; Sophie Ostmeier; Akshay S Chaudhari; Curtis Langlotz
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Vision-language models (VLMs) have made great strides in addressing temporal understanding tasks, which involve characterizing visual changes across a sequence of images. However, recent works have suggested that when making predictions, VLMs may rely on static feature biases, such as background or object features, rather than dynamic visual changes. Static feature biases are a type of shortcut and can contribute to systematic prediction errors on downstream tasks; as a result, identifying and characterizing error-inducing static feature biases is critical prior to real-world model deployment. Existing approaches for identifying such systematic failure modes in trained models (i) are typically designed for non-temporal settings and (ii) are challenging to evaluate in temporal settings due to the lack of quantitative evaluation frameworks. In this work, we address these challenges by introducing TRoVe, an automated approach for discovering error-inducing static feature biases learned by temporal VLMs. Given a trained VLM and an annotated validation dataset associated with a downstream classification task, TRoVe extracts candidate static features from the dataset and scores each feature by (i) the effect of the feature on classification errors as well as (ii) the extent to which the VLM relies on the feature when making predictions. In order to quantitatively evaluate TRoVe, we introduce an evaluation framework consisting of 101 trained temporal VLMs paired with ground-truth annotations for learned static feature biases. We use this framework to demonstrate that TRoVe can accurately identify error-inducing static feature biases in VLMs, achieving a 28.6% improvement over the closest baseline. Finally, we apply TRoVe to 7 off-the-shelf VLMs and 2 temporal understanding tasks, surfacing previously-unknown static feature biases and demonstrating that knowledge of learned biases can aid in improving model performance at test time. Our code is available at https://github.com/Stanford-AIMI/TRoVe.
HCRMP: An LLM-Hinted Contextual Reinforcement Learning Framework for Autonomous Driving
Authors: Zhiwen Chen; Hanming Deng; Zhuoren Li; Huanxi Wen; Guizhe Jin; Ran Yu; Bo Leng
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Integrating the understanding and reasoning capabilities of Large Language Models (LLM) with the self-learning capabilities of Reinforcement Learning (RL) enables more reliable driving performance under complex driving conditions. There has been a lot of work exploring LLM-Dominated RL methods in the field of autonomous driving motion planning. These methods, which utilize LLM to directly generate policies or provide decisive instructions during policy learning of RL agent, are centrally characterized by an over-reliance on LLM outputs. However, LLM outputs are susceptible to hallucinations. Evaluations show that state-of-the-art LLM indicates a non-hallucination rate of only approximately 57.95\% when assessed on essential driving-related tasks. Thus, in these methods, hallucinations from the LLM can directly jeopardize the performance of driving policies. This paper argues that maintaining relative independence between the LLM and the RL is vital for solving the hallucinations problem. Consequently, this paper is devoted to propose a novel LLM-Hinted RL paradigm. The LLM is used to generate semantic hints for state augmentation and policy optimization to assist RL agent in motion planning, while the RL agent counteracts potential erroneous semantic indications through policy learning to achieve excellent driving performance. Based on this paradigm, we propose the HCRMP (LLM-Hinted Contextual Reinforcement Learning Motion Planner) architecture, which is designed that includes  ①Augmented Semantic Representation Module to extend state space. ②Contextual Stability Anchor Module enhances the reliability of multi-critic weight hints by utilizing information from the knowledge base. ③Semantic Cache Module is employed to seamlessly integrate LLM low-frequency guidance with RL high-frequency control. Extensive experiments in CARLA validate HCRMP's strong overall driving performance. HCRMP achieves a task success rate of up to 80.3\% under diverse driving conditions with different traffic densities. Under safety-critical driving conditions, HCRMP significantly reduces the collision rate by 11.4\%, which effectively improves the driving performance in complex scenarios.
FlashMD: long-stride, universal prediction of molecular dynamics
Authors: Filippo Bigi; Sanggyu Chong; Agustinus Kristiadi; Michele Ceriotti
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of a direct MD approach. We validate FlashMD’s accuracy in reproducing equilibrium and time‐dependent properties, using both system‐specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.
Graph-KV: Breaking Sequence via Injecting Structural Biases into Large Language Models
Authors: Haoyu Peter Wang; Peihao Wang; Mufei Li; Shikun Liu; Siqi Miao; Zhangyang Wang; Pan Li
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Modern large language models (LLMs) are inherently auto-regressive, requiring input to be serialized into flat sequences regardless of their structural dependencies. This serialization hinders the model’s ability to leverage structural inductive biases, especially in tasks such as retrieval-augmented generation (RAG) and reasoning on data with native graph structures, where inter-segment dependencies are crucial. 
We introduce Graph-KV with the potential to overcome this limitation. Graph-KV leverages the KV-cache of text segments as condensed representations and governs their interaction through structural inductive biases. In this framework, ''target'' segments selectively attend only to the KV-caches of their designated ''source'' segments, rather than all preceding segments in a serialized sequence. This approach induces a graph-structured block mask, sparsifying attention and enabling a message-passing-like step within the LLM. Furthermore, strategically allocated positional encodings for source and target segments reduce positional bias and context window consumption. 
We evaluate Graph-KV across three scenarios: (1) seven RAG benchmarks spanning direct inference, multi-hop reasoning, and long-document understanding; (2) Arxiv-QA, a novel academic paper QA task with full-text scientific papers structured as citation ego-graphs; and (3) paper topic classification within a citation network.
By effectively reducing positional bias and harnessing structural inductive biases, Graph-KV substantially outperforms baselines, including standard costly sequential encoding, across various settings.
A Stable Whitening Optimizer for Efficient Neural Network Training
Authors: Kevin Frans; Sergey Levine; Pieter Abbeel
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In this work, we take an experimentally grounded look at neural network optimization. Building on the Shampoo family of algorithms, we identify and alleviate three key issues, resulting in the proposed SPlus method. First, we find that naive Shampoo is prone to divergence when matrix-inverses are cached for long periods. We introduce an alternate bounded update combining a historical eigenbasis with instantaneous normalization, resulting in across-the-board stability and significantly lower computational requirements. Second, we adapt a shape-aware scaling to enable learning rate transfer across network width. Third, we find that high learning rates result in large parameter noise, and propose a simple iterate-averaging scheme which unblocks faster learning. To properly confirm these findings, we introduce a pointed Transformer training benchmark, considering three objectives (language modelling, image classification, and diffusion modelling) across different stages of training. On average, SPlus is able to reach the validation performance of Adam within 44-58% of the gradient steps and 62-83% of the wallclock time.
Social World Model-Augmented Mechanism Design Policy Learning
Authors: Xiaoyuan Zhang; Yizhe Huang; Chengdong Ma; Zhixun Chen; Long Ma; Yali Du; Song-Chun Zhu; Yaodong Yang; Xue Feng
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Designing adaptive mechanisms to align individual and collective interests remains a central challenge in artificial social intelligence. Existing methods often struggle with modeling heterogeneous agents possessing persistent latent traits (e.g., skills, preferences) and dealing with complex multi-agent system dynamics. These challenges are compounded by the critical need for high sample efficiency due to costly real-world interactions. World Models, by learning to predict environmental dynamics, offer a promising pathway to enhance mechanism design in heterogeneous and complex systems. In this paper, we introduce a novel method named SWM-AP (Social World Model-Augmented Mechanism Design Policy Learning), which learns a social world model hierarchically modeling agents' behavior to enhance mechanism design. Specifically, the social world model infers agents' traits from their interaction trajectories and learns a trait-based model to predict agents' responses to the deployed mechanisms. The mechanism design policy collects extensive training trajectories by interacting with the social world model, while concurrently inferring agents' traits online during real-world interactions to further boost policy learning efficiency. Experiments in diverse settings (tax policy design, team coordination, and facility location) demonstrate that SWM-AP outperforms established model-based and model-free RL baselines in cumulative rewards and sample efficiency.
Density Ratio-Free Doubly Robust Proxy Causal Learning
Authors: Bariscan Bozkurt; Houssam Zenati; Dimitri Meunier; Liyuan Xu; Arthur Gretton
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We study the problem of causal function estimation in the Proxy Causal Learning (PCL) framework, where  confounders are not observed but proxies for the confounders are available. Two main approaches have been proposed: outcome bridge-based and treatment bridge-based methods. In this work, we propose two kernel-based doubly robust estimators that combine the strengths of both approaches, and naturally handle continuous and high-dimensional variables. Our identification strategy builds on a recent density ratio-free method for treatment bridge-based PCL; furthermore, in contrast to previous approaches, it does not require indicator functions or kernel smoothing over the treatment variable. These properties make it especially well-suited for continuous or high-dimensional treatments. By using kernel mean embeddings, we propose the first density-ratio free doubly robust estimators for proxy causal learning, which have closed form solutions and strong uniform consistency guarantees. Our estimators outperform existing methods on PCL benchmarks, including a prior doubly robust method that requires both kernel smoothing and density ratio estimation.
On the Emergence of Linear Analogies in Word Embeddings
Authors: Daniel James Korchinski; Dhruva Karkada; Yasaman Bahri; Matthieu Wyart
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Models such as Word2Vec and GloVe construct word embeddings based on the co-occurrence probability $P(i,j)$ of words $i$ and $j$ in text corpora. The resulting vectors $W_i$ not only group semantically similar words but also exhibit a striking linear analogy structure---for example, $W_{\text{king}} - W_{\text{man}} + W_{\text{woman}} \approx W_{\text{queen}}$---whose theoretical origin remains unclear.
Previous observations indicate that this analogy structure:
(i) already emerges in the top eigenvectors of the matrix $M(i,j) = P(i,j)/P(i)P(j)$,
(ii) strengthens and then saturates as more eigenvectors of $M (i, j)$, which controls the dimension of the embeddings, are included,
(iii) is enhanced when using $\log M(i,j)$ rather than $M(i,j)$, and
(iv) persists even when all word pairs involved in a specific analogy relation (e.g., king--queen, man--woman) are removed from the corpus.
To explain these phenomena, we introduce a theoretical generative model in which words are defined by binary semantic attributes, and co-occurrence probabilities are derived from attribute-based interactions. This model analytically reproduces the emergence of linear analogy structure and naturally accounts for properties (i)--(iv). It can be viewed as giving fine-grained resolution into the role of each additional embedding dimension. It is robust to various forms of noise and agrees well with co-occurrence statistics measured on Wikipedia and the analogy benchmark introduced by Mikolov et al.
Not All Data are Good Labels: On the Self-supervised Labeling for Time Series Forecasting
Authors: Yuxuan Yang; Dalin Zhang; Yuxuan Liang; Hua Lu; Gang Chen; Huan Li
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Time Series Forecasting (TSF) is a crucial task in various domains, yet existing TSF models rely heavily on high-quality data and insufficiently exploit all available data. This paper explores a novel self-supervised approach to re-label time series datasets by inherently constructing candidate datasets. During the optimization of a simple reconstruction network, intermediates are used as pseudo labels in a self-supervised paradigm, improving generalization for any predictor. We introduce the Self-Correction with Adaptive Mask (SCAM), which discards overfitted components and selectively replaces them with pseudo labels generated from reconstructions. Additionally, we incorporate Spectral Norm Regularization (SNR) to further suppress overfitting from a loss landscape perspective. Our experiments on eleven real-world datasets demonstrate that SCAM consistently improves the performance of various backbone models. This work offers a new perspective on constructing datasets and enhancing the generalization of TSF models through self-supervised learning. The code is available at https://github.com/SuDIS-ZJU/SCAM.
LocDiff: Identifying Locations on Earth by Diffusing in the Hilbert Space
Authors: Zhangyu Wang; Zeping Liu; Jielu Zhang; Zhongliang Zhou; Qian Cao; Nemin Wu; Lan Mu; Yang Song; Yiqun Xie; Ni Lao; Gengchen Mai
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Image geolocalization is a fundamental yet challenging task, aiming at inferring the geolocation on Earth where an image is taken. State-of-the-art methods employ either grid-based classification or gallery-based image-location retrieval, whose spatial generalizability significantly suffers if the spatial distribution of test images does not align with the choices of grids and galleries. Recently emerging generative approaches, while getting rid of grids and galleries, use raw geographical coordinates and suffer quality losses due to their lack of multi-scale information. To address these limitations, we propose a multi-scale latent diffusion model called LocDiff for image geolocalization. We developed a novel positional encoding-decoding framework called Spherical Harmonics Dirac Delta (SHDD) Representations, which encodes points on a spherical surface (e.g., geolocations on Earth) into a Hilbert space of Spherical Harmonics coefficients and decodes points (geolocations) by mode-seeking on spherical probability distributions. We also propose a novel SirenNet-based architecture (CS-UNet) to learn an image-based conditional backward process in the latent SHDD space by minimizing a latent KL-divergence loss. To the best of our knowledge, LocDiff is the first image geolocalization model that performs latent diffusion in a multi-scale location encoding space and generates geolocations under the guidance of images. Experimental results show that LocDiff can outperform all state-of-the-art grid-based, retrieval-based, and diffusion-based baselines across 5 challenging global-scale image geolocalization datasets, and demonstrates significantly stronger generalizability to unseen geolocations.
Principled Long-Tailed Generative Modeling via Diffusion Models
Authors: Pranoy Das; Kexin Fu; Abolfazl Hashemi; Vijay Gupta
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Deep generative models, particularly diffusion models, have achieved remarkable success  but face significant challenges when trained on real-world, long-tailed datasets- where few "head" classes dominate and many "tail" classes are underrepresented. This paper develops a  theoretical framework for long-tailed learning via diffusion models through the lens of deep mutual learning. We introduce a novel regularized training objective that combines the standard diffusion loss with a mutual learning term, enabling balanced performance across all class labels, including the underrepresented tails. Our approach to learn via the proposed regularized objective is to formulate it as a multi-player game, with Nash equilibrium serving as the solution concept. We derive a non-asymptotic first-order convergence result for individual gradient descent algorithm to find the Nash equilibrium.  We show that the Nash gap of the score network obtained from the algorithm is upper bounded by $\mathcal{O}(\frac{1}{\sqrt{T_{train}}}+\beta)$ where $\beta$ is the regularizing parameter and $T_{train}$ is the number of iterations of the training algorithm. Furthermore, we theoretically establish hyper-parameters for training and sampling algorithm that ensure that we find conditional score networks (under our model) with a worst case sampling error $\mathcal{O}(\epsilon+1), \forall \epsilon>0$ across all class labels. Our results offer insights and guarantees for training diffusion models on imbalanced, long-tailed data, with implications for fairness, privacy, and generalization in real-world generative modeling scenarios.
Efficient Algorithms for Robust and Partial Semi-Discrete Optimal Transport
Authors: Pankaj K Agarwal; Sharath Raghvendra; Pouyan Shirzadian; Keegan Yao
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The sensitivity of optimal transport (OT) to noise has motivated the study of robust variants. In this paper, we study two such formulations of semi-discrete OT in $\mathbb{R}^d$: (i) the $\alpha$-optimal partial transport, which minimizes the cost of transporting a mass of $\alpha$; and (ii) the $\lambda$-robust optimal transport, which regularizes the OT problem using the total variation (TV) distance. First, we provide a novel characterization of the optimal solutions in these settings, showing they can be represented as a restricted Laguerre diagram. Second, we exploit this characterization to establish a strong algorithmic connection between the two problems, showing that any solver for one can be adapted to solve the other with comparable precision. Third, we overcome key challenges posed in extending the cost-scaling paradigm to compute these variants of OT and present an algorithm that computes the exact solution up to $\log (1/\varepsilon)$ bits of precision in $n^{O(d)}\log (1/\varepsilon)$ time, where $n$ is the support size of the discrete distribution.  Finally, we present an $n^{1+o(1)}\varepsilon^{-O(d)}$ time approximation algorithm for the above variants of OT.
3D Equivariant Visuomotor Policy Learning via Spherical Projection
Authors: Boce Hu; Dian Wang; David Klee; Heng Tian; Xupeng Zhu; Haojie Huang; Robert Platt; Robin Walters
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Equivariant models have recently been shown to improve the data efficiency of diffusion policy by a significant margin. However, prior work that explored this direction focused primarily on point cloud inputs generated by multiple cameras fixed in the workspace. This type of point cloud input is not compatible with the now-common setting where the primary input modality is an eye-in-hand RGB camera like a GoPro. This paper closes this gap by incorporating into the diffusion policy model a process that projects features from the 2D RGB camera image onto a sphere. This enables us to reason about symmetries in $\mathrm{SO}(3)$ without explicitly reconstructing a point cloud. We perform extensive experiments in both simulation and the real world that demonstrate that our method consistently outperforms strong baselines in terms of both performance and sample efficiency. Our work, $\textbf{Image-to-Sphere Policy}$ ($\textbf{ISP}$), is the first $\mathrm{SO}(3)$-equivariant policy learning framework for robotic manipulation that works using only monocular RGB inputs.