GenAI4ELab/papercli-papers huggingface dataset:
CAR-Flow: Condition-Aware Reparameterization Aligns Source and Target for Better Flow Matching
Authors: Chen Chen; Pengsheng Guo; Liangchen Song; Jiasen Lu; Rui Qian; Tsu-Jui Fu; Xinze Wang; Wei Liu; Yinfei Yang; Alex Schwing
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Conditional generative modeling aims to learn a conditional data distribution from samples containing data-condition pairs. For this, diffusion and flow-based methods have attained compelling results. These methods use a learned (flow) model to transport an initial standard Gaussian noise that ignores the condition to the conditional data distribution. The model is hence required to learn both mass transport \emph{and} conditional injection. To ease the demand on the model, we propose \emph{Condition-Aware Reparameterization for Flow Matching} (CAR-Flow) -- a lightweight, learned \emph{shift} that conditions the source, the target, or both distributions. By relocating these distributions, CAR-Flow shortens the probability path the model must learn, leading to faster training in practice. On low-dimensional synthetic data, we visualize and quantify the effects of CAR-Flow. On higher-dimensional natural image data (ImageNet-256), equipping SiT-XL/2 with CAR-Flow reduces FID from 2.07 to 1.68, while introducing less than \(0.6\%\) additional parameters.
Technical Debt in In-Context Learning: Diminishing Efficiency in Long Context
Authors: Taejong Joo; Diego Klabjan
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Transformers have demonstrated remarkable in-context learning (ICL) capabilities, adapting to new tasks by simply conditioning on demonstrations without parameter updates. Compelling empirical and theoretical evidence suggests that ICL, as a general-purpose learner, could outperform task-specific models. However, it remains unclear to what extent the transformers optimally learn in-context compared to principled learning algorithms. To investigate this, we employ a meta ICL framework in which each prompt defines a distinctive regression task whose target function is drawn from a hierarchical distribution, requiring inference over both the latent model class and task-specific parameters. Within this setup, we benchmark sample complexity of ICL against principled learning algorithms, including the Bayes optimal estimator, under varying performance requirements. Our findings reveal a striking dichotomy: while ICL initially matches the efficiency of a Bayes optimal estimator, its efficiency significantly deteriorates in long context. Through an information-theoretic analysis, we show that the diminishing efficiency is inherent to ICL. These results clarify the trade-offs in adopting ICL as a universal problem solver, motivating a new generation of on-the-fly adaptive methods without the diminishing efficiency.
Causality-Induced Positional Encoding for Transformer-Based Representation Learning of Non-Sequential Features
Authors: Kaichen Xu; Yihang Du; Mianpeng Liu; Zimu Yu; Xiaobo Sun
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Positional encoding is essential for supplementing transformer with positional information of tokens. Existing positional encoding methods demand predefined token/feature order, rendering them unsuitable for real-world data with non-sequential yet causally-related features. To address this limitation, we propose CAPE, a novel method that identifies underlying causal structure over non-sequential features as a weighted directed acyclic graph (DAG) using generalized structural equation modeling. The DAG is then embedded in hyperbolic space where its geometric structure is well-preserved using a hyperboloid model-based approach that effectively captures two important causal graph properties (causal strength & causal specificity). This step yields causality-aware positional encodings for the features, which are converted into their rotary form for integrating with transformer's self-attention mechanism. Theoretical analysis reveals that CAPE-generated rotary positional encodings possess three valuable properties for enhanced self-attention, including causal distance-induced attenuation, causal generality-induced attenuation, and robustness to positional disturbances.  We evaluate CAPE over both synthetic and real-word datasets, empirically demonstrating its theoretical properties and effectiveness in enhancing transformer for data with non-sequential features. Our code is available at https://github.com/Catchxu/CAPE.
Training-Free Constrained Generation With Stable Diffusion Models
Authors: Stefano Zampini; Jacob K Christopher; Luca Oneto; Davide Anguita; Ferdinando Fioretto
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. While there is increasing effort to incorporate physics-based constraints into generative models, existing techniques are either limited in their applicability to latent diffusion frameworks or lack the capability to strictly enforce domain-specific constraints. To address this limitation this paper proposes a novel integration of stable diffusion models with constrained optimization frameworks, enabling the generation of outputs satisfying stringent physical and functional requirements. The effectiveness of this approach is demonstrated through material design experiments requiring adherence to precise morphometric properties, challenging inverse design tasks involving the generation of materials inducing specific stress-strain responses, and copyright-constrained content generation tasks. All code has been released at https://github.com/RAISELab-atUVA/Constrained-Stable-Diffusion.
Individual Fairness In Strategic Classification
Authors: Zhiqun Zuo; Mohammad Mahdi Khalili
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Strategic classification, where individuals modify their features to influence machine learning (ML) decisions, presents critical fairness challenges. While group fairness in this setting has been widely studied, individual fairness remains underexplored. We analyze threshold-based classifiers and prove that deterministic thresholds violate individual fairness. Then, we investigate the possibility of using a randomized classifier to achieve individual fairness. We introduce conditions under which a randomized classifier ensures individual fairness and leverage these conditions to find an optimal and individually fair randomized classifier through a linear programming problem. Additionally, we demonstrate that our approach can be extended to group fairness notions. Experiments on real-world datasets confirm that our method effectively mitigates unfairness and improves the fairness-accuracy trade-off.
Comparator-Adaptive $\Phi$-Regret: Improved Bounds, Simpler Algorithms, and Applications to Games
Authors: Soumita Hait; Ping Li; Haipeng Luo; Mengxiao Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: In the classic expert problem, $\Phi$-regret measures the gap between the learner's total loss and that achieved by applying the best action transformation $\phi \in \Phi$. A recent work by Lu et al., [2025] introduced an adaptive algorithm whose regret against a comparator $\phi$ depends on a certain sparsity-based complexity measure of $\phi$, recovering and interpolating optimal bounds for standard regret notions such as external, internal, and swap regret. In this work, we propose a general idea to achieve an even better comparator-adaptive $\Phi$-regret bound via much simpler algorithms compared to Lu et al., [2025]. Specifically, we discover a prior distribution over all possible binary transformations and show that it suffices to achieve prior-dependent regret against these transformations. Then, we propose two concrete and efficient algorithms to achieve so, where the first one combines multiple copies of the kernelized Hedge algorithm of Farina et al., [2022], and the second one combines multiple copies of a variant of the BM-reduction [Blum and Mansour, 2007]. To further showcase the power of our methods and the advantages over Lu et al., [2025] besides the simplicity and better regret bounds, we also show that our second approach can be extended to the game setting to achieve accelerated and adaptive convergence rate to $\Phi$-equilibria for a class of general-sum games. When specified to the special case of correlated equilibria, our bound improves over the existing ones from Anagnostides et al., [2022a,b].
Power Lines: Scaling laws for weight decay and batch size in LLM pre-training
Authors: Shane Bergsma; Nolan Simran Dey; Gurpreet Gosal; Gavia Gray; Daria Soboleva; Joel Hestness
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate η and weight decay λ. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B.  Recent work suggests the AdamW timescale, τ = B/(ηλD), should remain constant across training settings, and we verify the implication that optimal λ scales linearly with B, for a fixed N and D. However, as N and D scale, we show optimal τ obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict λopt in advance of large-scale training.  We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast to prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives.
Identifying interactions across brain areas while accounting for individual-neuron dynamics with a Transformer-based variational autoencoder
Authors: Qi Xin; Robert Kass
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Advances in large-scale recording technologies now enable simultaneous measurements from multiple brain areas, offering new opportunities to study signal transmission across interacting components of neural circuits. However, neural responses exhibit substantial trial-to-trial variability, often driven by unobserved factors such as subtle changes in animal behavior or internal states. To prevent evolving background dynamics from contaminating identification of functional coupling, we developed a hybrid neural spike train model, GLM-Transformer, that incorporates flexible, deep latent variable models into a point process generalized linear model (GLM) having an interpretable component for cross-population interactions. A Transformer-based variational autoencoder captures nonstationary individual-neuron dynamics that vary across trials, while standard nonparametric regression GLM coupling terms provide estimates of directed interactions between neural populations. We incorporate a low-rank structure on population-to-population coupling effects to improve scalability. Across synthetic datasets and mechanistic simulations, GLM-Transformer recovers known coupling structure and remains robust to shared background fluctuations. When applied to the Allen Institute Visual Coding dataset, it identifies feedforward pathways consistent with established visual hierarchies. This work offers a step toward improved identification of neural population interactions, and contributes to ongoing efforts aimed at achieving interpretable results while harvesting the benefits of deep learning.
Optimal community detection in dense bipartite graphs
Authors: Julien Chhor; Parker Knight
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We consider the problem of detecting a community of densely connected vertices in a high-dimensional bipartite graph of size $n_1 \times n_2$. Under the null hypothesis, the observed graph is drawn from a bipartite Erdos-Renyi distribution with connection probability $p_0$. Under the alternative hypothesis, there exists an unknown bipartite subgraph of size $k_1 \times k_2$ in which edges appear with probability $p_1 = p_0 + \delta$ for some $\delta > 0$, while all other edges outside the subgraph appear with probability $p_0$. Specifically, we provide non-asymptotic upper and lower bounds on the smallest signal strength $\delta^*$ that is both necessary and sufficient to ensure the existence of a test with small enough type one and type two errors. We also derive novel minimax-optimal tests achieving these fundamental limits when the underlying graph is sufficiently dense. Our proposed tests involve a combination of hard-thresholded nonlinear statistics of the adjacency matrix, the analysis of which may be of independent interest. In contrast with previous work, our non-asymptotic upper and lower bounds match for any configuration of $n_1,n_2, k_1,k_2$.
Generator-Mediated Bandits: Thompson Sampling for GenAI-Powered Adaptive Interventions
Authors: Marc Brooks; Gabriel Durham; Kihyuk Hong; Ambuj Tewari
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Recent advances in generative artificial intelligence (GenAI) models have enabled the generation of personalized content that adapts to up-to-date user context. While personalized decision systems are often modeled using bandit formulations, the integration of GenAI introduces new structure into otherwise classical sequential learning problems. In GenAI-powered interventions, the agent selects a query, but the environment experiences a stochastic response drawn from the generative model. Standard bandit methods do not explicitly account for this structure, where actions influence rewards only through stochastic, observed treatments. We introduce generator-mediated bandit-Thompson sampling (GAMBITTS), a bandit approach designed for this action/treatment split, using mobile health interventions with large language model-generated text as a motivating case study. GAMBITTS explicitly models both the treatment and reward generation processes, using information in the delivered treatment to accelerate policy learning relative to standard methods. We establish regret bounds for GAMBITTS by decomposing sources of uncertainty in treatment and reward, identifying conditions where it achieves stronger guarantees than standard bandit approaches. In simulation studies, GAMBITTS consistently outperforms conventional algorithms by leveraging observed treatments to more accurately estimate expected rewards.
Remarkable Robustness of LLMs: Stages of Inference?
Authors: Vedang Lad; Jin Hwa Lee; Wes Gurnee; Max Tegmark
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We investigate the robustness of Large Language Models (LLMs) to structural interventions by deleting and swapping adjacent layers during inference. Surprisingly, models retain 72–95\% of their original top-1 prediction accuracy without any fine-tuning. We find that performance degradation is not uniform across layers: interventions to the early and final layers cause the most degradation, while the model is remarkably robust to dropping middle layers. This pattern of localized sensitivity motivates our hypothesis of four stages of inference, observed across diverse model families and sizes: (1) detokenization, where local context is integrated to lift raw token embeddings into higher-level representations; (2) feature engineering, where task- and entity-specific features are iteratively refined; (3) prediction ensembling, where hidden states are aggregated into plausible next-token predictions; and (4) residual calibration, where irrelevant features are suppressed to finalize the output distribution. Synthesizing behavioral and mechanistic evidence, we provide a hypothesis for interpreting depth-dependent computations in LLMs.
Partial Correlation Network Estimation by Semismooth Newton Methods
Authors: DongWon Kim; Sungdong Lee; Joong-Ho Won
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We develop a scalable second-order algorithm for a recently proposed  $\ell_1$-regularized pseudolikelihood-based partial correlation network estimation framework. While the latter method admits statistical guarantees and is inherently scalable compared to likelihood-based methods such as graphical lasso, the currently available implementations rely only on first-order information and require thousands of iterations to obtain reliable estimates even on high-performance supercomputers. In this paper, we further investigate the inherent scalability of the framework and propose locally and globally convergent semismooth Newton methods. Despite the nonsmoothness of the problem, these second-order  algorithms converge at a locally quadratic rate, and require only a few tens of iterations in practice.  Each iteration reduces to solving linear systems of small dimensions or linear complementary problems of smaller dimensions, making the computation also suitable for less powerful computing environments. Experiments on both simulated and real-world genomic datasets demonstrate the superior convergence behavior and computational efficiency of the proposed algorithm, which position our method as a promising tool for massive-scale network analysis sought for in, e.g., modern multi-omics research.
Uncoupled and Convergent Learning in Monotone Games under Bandit Feedback
Authors: Jing Dong; Baoxiang Wang; Yaoliang Yu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We study the problem of no-regret learning algorithms for general monotone and smooth games and their last-iterate convergence properties. Specifically, we investigate the problem under bandit feedback and strongly uncoupled dynamics, which allows modular development of the multi-player system that applies to a wide range of real applications. We propose a mirror-descent-based algorithm, which converges in $O(T^{-1/4})$ and is also no-regret. The result is achieved by a dedicated use of two regularizations and the analysis of the fixed point thereof. The convergence rate is further improved to $O(T^{-1/2})$ in the case of strongly monotone games.
Motivated by practical tasks where the game evolves over time, the algorithm is extended to time-varying monotone games. We provide the first non-asymptotic result in converging monotone games and give improved results for equilibrium tracking games.
Learning Without Augmenting: Unsupervised Time Series Representation Learning via Frame Projections
Authors: Berken Utku Demirel; Christian Holz
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data. Most SSL approaches rely on strong, well-established, handcrafted data augmentations to generate diverse views for representation learning. However, designing such augmentations requires domain-specific knowledge and implicitly imposes representational invariances on the model, which can limit generalization. In this work, we propose an unsupervised representation learning method that replaces augmentations by generating views using orthonormal bases and overcomplete frames. We show that embeddings learned from orthonormal and overcomplete spaces reside on distinct manifolds, shaped by the geometric biases introduced by representing samples in different spaces. By jointly leveraging the complementary geometry of these distinct manifolds, our approach achieves superior performance without artificially increasing data diversity through strong augmentations. We demonstrate the effectiveness of our method on nine datasets across five temporal sequence tasks, where signal-specific characteristics make data augmentations particularly challenging. Without relying on augmentation-induced diversity, our method achieves performance gains of up to 15--20\% over existing self-supervised approaches. Source code: \url{https://github.com/eth-siplab/Learning-with-FrameProjections}
Conformal Prediction Beyond the Horizon: Distribution-Free Inference for Policy Evaluation
Authors: Feichen Gan; Lu Youcun; Yingying Zhang; Yukun Liu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Reliable uncertainty quantification is crucial for reinforcement learning (RL) in high-stakes settings. We propose a unified conformal prediction framework for infinite-horizon policy evaluation that constructs distribution-free prediction intervals for returns in both on-policy and off-policy settings. Our method integrates distributional RL with conformal calibration, addressing challenges such as unobserved returns, temporal dependencies, and distributional shifts. We propose a modular pseudo-return construction based on truncated rollouts and a time-aware calibration strategy using experience replay and weighted subsampling. These innovations mitigate model bias and restore approximate exchangeability, enabling uncertainty quantification even under policy shifts. Our theoretical analysis provides coverage guarantees that account for model misspecification and importance weight estimation. Empirical results, including experiments in synthetic and benchmark environments like Mountain Car, show that our method significantly improves coverage and reliability over standard distributional RL baselines.
X-Field: A Physically Informed Representation for 3D X-ray Reconstruction
Authors: Feiran Wang; Jiachen Tao; Junyi Wu; Haoxuan Wang; Bin Duan; Kai Wang; Zongxin Yang; Yan Yan
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: X-ray imaging is indispensable in medical diagnostics, yet its use is tightly regulated due to radiation exposure. Recent research borrows representations from the 3D reconstruction area to complete two tasks with reduced radiation dose: X-ray Novel View Synthesis (NVS) and Computed Tomography (CT) reconstruction. 
However, these representations fail to fully capture the penetration and attenuation properties of X-ray imaging as they originate from visible light imaging.
In this paper, we introduce X-Field, a 3D representation informed in the physics of X-ray imaging. 
First, we employ homogeneous 3D ellipsoids with distinct attenuation coefficients to accurately model diverse materials within internal structures. Second, we introduce an efficient path-partitioning algorithm that resolves the intricate intersection of ellipsoids to compute cumulative attenuation along an X-ray path.
We further propose a hybrid progressive initialization to refine the geometric accuracy of X-Field and incorporate material-based optimization to enhance model fitting along material boundaries.
Experiments show that X-Field achieves superior visual fidelity on both real-world human organ and synthetic object datasets, outperforming state-of-the-art methods in X-ray NVS and CT Reconstruction. Our code is
available on the project page: https://github.com/Brack-Wang/X-Field.