NeurIPS 2025 论文列表

Leveraging the power of Large Language Models (LLMs) through preference optimization is crucial for aligning model outputs with human values. Direct Preference Optimization (DPO) has recently emerged as a simple yet effective method by directly optimizing on preference data without the need for explicit reward models. However, DPO typically relies on human-labeled preference data, which can limit its scalability. Self-Play Fine-Tuning (SPIN) addresses this by allowing models to generate their own rejected samples, reducing the dependence on human annotations. Nevertheless, SPIN uniformly applies learning signals across all tokens, ignoring the fine-grained quality variations within responses. As the model improves, rejected samples increasingly contain high-quality tokens, making the uniform treatment of tokens suboptimal. In this paper, we propose SWIFT (Self-Play Weighted Fine-Tuning), a fine-grained self-refinement method that assigns token-level importance weights estimated from a stronger teacher model. Beyond alignment, we also demonstrate that SWIFT serves as an effective knowledge distillation strategy by using the teacher not for logits matching, but for reward-guided token weighting. Extensive experiments on diverse benchmarks and settings demonstrate that SWIFT consistently surpasses both existing alignment approaches and conventional knowledge distillation methods.

Process reward model (PRM) has been proven effective in test-time scaling of LLM on challenging reasoning tasks. However, the reward hacking induced by PRM hinders its successful applications in reinforcement fine-tuning. We find the primary cause of reward hacking induced by PRM is that: the canonical summation-form credit assignment in reinforcement learning (RL), i.e. cumulative gamma-decayed future rewards, causes the LLM to hack steps with high rewards. Therefore, to unleashing the power of PRM in training-time, we propose PURE: Process sUpervised Reinforcement lEarning. The core of PURE is the min-form credit assignment that defines the value function as the minimum future rewards. This method unifies the optimization objective with respect to process rewards during test-time and training-time, and significantly alleviates reward hacking due to the limits on the range of values of value function and more rational assignment of advantages. Through extensively experiments on 3 base models, we achieve similar reasoning performance using PRM-based approach compared with verifiable reward-based approach if enabling min-form credit assignment. In contrast, the canonical sum-form credit assignment even collapses training at the beginning. Moreover, when we incorporate 1/10th verifiable rewards to auxiliary the PRM-based fine-tuning, it further alleviate reward hacking and results in the best fine-tuned model based on Qwen2.5-Math-7B with 82.5% accuracy on AMC23 and 53.3% average accuracy across 5 benchmarks. Furthermore, we summary the reward hacking cases we encountered during training and analysis the cause of training collapse.

Regression models are crucial in recommender systems. However, retransformation bias problem has been conspicuously neglected within the community. While many works in other fields have devised effective bias correction methods, all of them are post-hoc cures externally to the model, facing practical challenges when applied to real-world recommender systems. Hence, we propose a preemptive paradigm to eradicate the bias intrinsically from the models via minor model refinement. Specifically, a novel TranSUN method is proposed with a joint bias learning manner to offer theoretically guaranteed unbiasedness under empirical superior convergence. It is further generalized into a novel generic regression model family, termed Generalized TranSUN (GTS), which not only offers more theoretical insights but also serves as a generic framework for flexibly developing various bias-free models. Comprehensive experimental results demonstrate the superiority of our methods across data from various domains, which have been successfully deployed in two real-world industrial recommendation scenarios, i.e. product and short video recommendation scenarios in Guess What You Like business domain in the homepage of Taobao App (a leading e-commerce platform with DAU > 300M), to serve the major online traffic.

Causal mediation analysis is crucial for deconstructing complex mechanisms of action. However, in current mediation analysis, complex structures derived from causal discovery lack direct interpretation of mediation pathways, while traditional mediation analysis and effect estimation are limited by the reliance on pre-specified pathways, leading to a disconnection between structure discovery and causal mechanism understanding. Therefore, a unified framework integrating structure discovery, pathway identification, and effect estimation systematically quantifies mediation pathways under structural uncertainty, enabling automated identification and inference of mediation pathways. To this end, we propose Structure-Informed Guided Mediation Analysis (SIGMA), which guides automated mediation pathway identification through probabilistic causal structure discovery and uncertainty quantification, enabling end-to-end propagation of structural uncertainty from structure learning to effect estimation. Specifically, SIGMA employs differentiable Flow-Structural Equation Models to learn structural posteriors, generating diverse Directed Acyclic Graphs (DAGs) to quantify structural uncertainty. Based on these DAGs, we introduce the Path Stability Score to evaluate the marginal probability of pathways, identifying high-confidence mediation paths. For identified mediation pathways, we integrate Efficient Influence Functions with Bayesian model averaging to fuse within-structure estimation uncertainty and between-structure effect variation, propagating uncertainty to the final effect estimates. In synthetic data experiments, SIGMA achieves state-of-the-art performance in pathway identification accuracy and effect quantification precision under structures uncertainty, concurrent multiple pathways, and nonlinear scenarios. In real-world applications using Human Phenotype Project data, SIGMA identifies mediation effects of sleep quality on cardiovascular health through inflammatory and metabolic pathways, uncovering previously unspecified multiple mediation paths.

The Transformer architecture serves as the foundation of modern AI systems, powering recent advances in Large Language Models (LLMs) and Large Multimodal Models (LMMs). Central to these models, attention mechanisms capture contextual dependencies via token interactions. Beyond inference, attention has been widely adopted for interpretability, offering insights into model behavior. Among interpretability techniques, attention flow --- which traces global information transfer across layers --- provides a more comprehensive perspective than single-layer attention maps. However, computing attention flow is computationally intensive due to the high complexity of max-flow algorithms. To address this challenge, we introduce FlowPrune, a novel framework that accelerates attention flow analysis by pruning the attention graph before applying max-flow computations. FlowPrune uses the Max-Flow Min-Cut Theorem and two structural properties of Transformer to identify and eliminate non-critical graph regions. It comprises two components: Edge Pruning, which removes insignificant attention edges, and Layer Compression, which discards layers with minimal contributions to the flow. We conduct extensive experiments on LLaMA and LLaVA to evaluate the robustness and effectiveness of FlowPrune. Our results show that FlowPrune achieves high agreement with the original attention flow in both absolute and relative error metrics, as well as in identifying influential input tokens. Finally, case studies in both NLP and vision domains demonstrate that FlowPrune produces consistent interpretability outcomes as the original Attention Flow, validating its practical utility. The code for this paper is publicly available.

We study the problem of determining whether a piece of text has been authored by a human or by a large language model (LLM). Existing state of the art logits-based detectors make use of statistics derived from the log-probability of the observed text evaluated using the distribution function of a given source LLM. However, relying solely on log probabilities can be sub-optimal. In response, we introduce AdaDetectGPT -- a novel classifier that adaptively learns a witness function from training data to enhance the performance of logits-based detectors. We provide statistical guarantees on its true positive rate, false positive rate, true negative rate and false negative rate. Extensive numerical studies show AdaDetectGPT nearly uniformly improves the state-of-the-art method in various combination of datasets and LLMs, and the improvement can reach up to 37\%. A python implementation of our method is available at https://github.com/Mamba413/AdaDetectGPT.

While large language models (LLMs) demonstrate remarkable success in multilingual translation, their internal core translation mechanisms, even at the fundamental word level, remain insufficiently understood. To address this critical gap, this work introduces a systematic framework for interpreting the mechanism behind LLM translation from the perspective of computational components. This paper first proposes subspace-intervened path patching for precise, fine-grained causal analysis, enabling the detection of components crucial to translation tasks and subsequently characterizing their behavioral patterns in human-interpretable terms. Comprehensive experiments reveal that translation is predominantly driven by a sparse subset of components: specialized attention heads serve critical roles in extracting source language, translation indicators, and positional features, which are then integrated and processed by specific multi-layer perceptrons (MLPs) into intermediary English-centric latent representations before ultimately yielding the final translation. The significance of these findings is underscored by the empirical demonstration that targeted fine-tuning a minimal parameter subset (<5%) enhances translation performance while preserving general capabilities. This result further indicates that these crucial components generalize effectively to sentence-level translation and are instrumental in elucidating more intricate translation tasks.

Constrained decision-making is essential for designing safe policies in real-world control systems, yet simulated environments often fail to capture real-world adversities. We consider the problem of learning a policy that will maximize the cumulative reward while satisfying a constraint, even when there is a mismatch between the real model and an accessible simulator/nominal model. In particular, we consider the robust constrained Markov decision problem (RCMDP) where an agent needs to maximize the reward and satisfy the constraint against the worst possible stochastic model under the uncertainty set centered around an unknown nominal model. Primal-dual methods, effective for standard constrained MDP (CMDP), are not applicable here because of the lack of the strong duality property. Further, one cannot apply the standard robust value-iteration based approach on the composite value function, either, as the worst-case models may be different for the reward value function and the constraint value function. We propose a novel technique that effectively minimizes the constraint value function--to satisfy the constraints; on the other hand, when all the constraints are satisfied, it can simply maximize the robust reward value function. We prove that such an algorithm finds a policy with at most $\epsilon$ sub-optimality and a feasible policy after $O(\epsilon^{-2})$ iterations. In contrast to the state-of-the-art method, we do not need to employ a binary search; thus, we reduce the computation time and achieve a better performance, especially for continuous state-space.

One way to mitigate risks in vision-language models (VLMs) is to censor dangerous samples from their training data. However, data moderation can be easily bypassed when harmful images are split into small, benign-looking patches, scattered across many training samples. VLMs may then learn to piece these fragments together and generate harmful responses at inference, either from full images or text references. For instance, if trained on image patches from a bloody scene paired with the descriptions "safe," VLMs may later describe, the full image or a text reference to the scene, as "safe." We define the core ability of VLMs enabling this attack as $\textit{visual stitching}$—the ability to integrate visual information spread across multiple training samples that share the same textual descriptions. In our work, we first demonstrate visual stitching abilities in common open-source VLMs on three datasets where each image is labeled with a unique synthetic ID. We split each $(\texttt{image}, \texttt{ID})$ pair into $\{(\texttt{patch}, \texttt{ID})\}$ pairs at different granularities for finetuning, and we find that models can verbalize the correct IDs from full images or text reference. Building on this, we simulate the adversarial data poisoning scenario mentioned above by using patches from dangerous images and replacing IDs with text descriptions like "safe" or "unsafe", demonstrating how harmful content can evade moderation in patches and later be reconstructed through visual stitching, posing serious VLM safety risks.

Large Language Models (LLMs) have attained human-level fluency in text generation, which complicates the distinguishing between human-written and LLM generated texts. This increases the risk of misuse and highlights the need for reliable detectors. Yet, existing detectors exhibit poor robustness on out-of-distribution (OOD) data and attacked data, which is critical for real-world scenarios. Also, they struggle to provide interpretable evidence to support their decisions, thus undermining reliability. In light of these challenges, we propose IPAD (Inverse Prompt for AI Detection), a novel framework consisting of a Prompt Inverter that identifies predicted prompts that could have generated the input text, and two Distinguishers that examine the probability that the input texts align with the predicted prompts. Empirical evaluations demonstrate that IPAD outperforms the strongest baselines by 9.05% (Average Recall) on in-distribution data, 12.93% (AUROC) on out-of-distribution (OOD) data, and 5.48% (AUROC) on attacked data. IPAD also performs robust on structured datasets. Furthermore, an interpretability assessment is conducted to illustrate that IPAD enhances the AI detection trustworthiness by allowing users to directly examine the decision-making evidence, which provides interpretable support for its state-of-the-art detection results.

Binary choices, as often used for reinforcement learning from human feedback (RLHF), convey only the *direction* of a preference. A person may choose apples over oranges and bananas over grapes, but *which preference is stronger*? Strength is crucial for decision-making under uncertainty and generalization of preference models, but hard to measure reliably. Metadata such as response times and inter-annotator agreement can serve as proxies for strength, but are often noisy and confounded. We propose ResponseRank to address the challenge of learning from noisy strength signals. Our method uses relative differences in these signals to *rank responses to pairwise comparisons by their inferred preference strength*. Signals are only considered locally within carefully constructed strata, controlling for systemic variation. This enables robust learning of utility differences consistent with strength-derived rankings, all while making minimal assumptions. Our contributions are threefold: (1) ResponseRank, a novel method that robustly learns preference strength by leveraging locally valid relative strength signals; (2) empirical evidence of improved sample efficiency and robustness across diverse tasks: synthetic preference learning (with simulated response times), language modeling (with annotator agreement), and RL control tasks (with simulated episode returns); and (3) the *Pearson Distance Correlation (PDC)*, a novel metric that isolates cardinal utility learning from ordinal accuracy.

Fine-tuning large language models (LLMs) to aggregate multiple preferences has attracted considerable research attention. With aggregation algorithms advancing, a potential economic scenario arises where fine-tuning services are provided to agents with different preferences. In this context, agents may benefit from strategically misreporting their preferences, but this could harm the aggregation performance. This paper addresses such incentive issues by framing it as a mechanism design problem: an LLM provider determines the fine-tuning objective (training rule) and the pricing scheme (payment rule) for agents. We primarily focus on training rules that maximize social welfare subject to certain regularizations, referred to as SW-Max rules. First, we show that under most circumstances, truthful reporting is sub-optimal with simply a SW-Max rule, thereby highlighting the necessity of payments. Second, we extend the VCG payment to implement SW-Max rules in dominant-strategy incentive compatibility (DSIC). We characterize sufficient conditions for payment equivalence and derive the necessary conditions for a payment rule to implement a SW-Max rule in DSIC and other principles. Third, we demonstrate that our mechanism is approximately DSIC with perturbed input, showcasing its robustness against the inevitable errors in real-world applications. Experiments on real LLM training results further confirm the practical implications of our results.

Generative models that maximize model likelihood have gained traction in many practical settings. Among them, perturbation-based approaches underpin many state-of-the-art likelihood estimation models, yet they often face slow convergence and limited theoretical understanding. In this paper, we derive a tighter likelihood bound for noise-driven models to improve both the accuracy and efficiency of maximum likelihood learning. Our key insight extends the classical Kullback–Leibler (KL) divergence–Fisher information relationship to arbitrary noise perturbations, going beyond the Gaussian assumption and enabling structured noise distributions. This formulation allows flexible use of randomized noise distributions that naturally account for sensor artifacts, quantization effects, and data distribution smoothing, while remaining compatible with standard diffusion training. Treating the diffusion process as a Gaussian channel, we further express the mismatched entropy between data and model, showing that the proposed objective upper-bounds the negative log-likelihood (NLL). In experiments, our models achieve competitive NLL on CIFAR-10 and state-of-the-art results on ImageNet across multiple resolutions, all without data augmentation, and the framework extends naturally to discrete data.

Multimodal learning plays a pivotal role in advancing artificial intelligence systems by incorporating information from multiple modalities to build a more comprehensive representation. Despite its importance, current state-of-the-art models still suffer from severe limitations that prevent the successful development of a fully multimodal model. Such methods do not provide indicators that all the involved modalities are effectively aligned. As a result, a set of modalities may not be aligned, undermining the effectiveness of the model in downstream tasks where multiple modalities should provide additional information that the model fails to exploit. In this paper, we present TRIANGLE: TRI-modAl Neural Geometric LEarning, the novel proposed similarity measure that is directly computed in the higher-dimensional space spanned by the modality embeddings. TRIANGLE improves the joint alignment of three modalities via a triangle‑area similarity, avoiding additional fusion layers. When incorporated in contrastive losses replacing cosine similarity, TRIANGLE significantly boosts the performance of multimodal modeling, while yielding interpretable alignment rationales. Extensive evaluation in three-modal tasks such as video-text and audio-text retrieval or audio-video classification, demonstrates that TRIANGLE achieves state-of-the-art results across different datasets improving the performance of cosine-based methods up to 9 points of Recall@1.

We study the Pandora’s Box problem in an online learning setting with semi-bandit feedback. In each round, the learner sequentially pays to open up to $n$ boxes with unknown reward distributions, observes rewards upon opening, and decides when to stop. The utility of the learner is the maximum observed reward minus the cumulative cost of opened boxes, and the goal is to minimize regret defined as the gap between the cumulative expected utility and that of the optimal policy. We propose a new algorithm that achieves $\widetilde{O}(\sqrt{nT})$ regret after $T$ rounds, which improves the $\widetilde{O}(n\sqrt{T})$ bound of Agarwal et al. [2024] and matches the known lower bound up to logarithmic factors. To better capture real-life applications, we then extend our results to a natural but challenging contextual linear setting, where each box's expected reward is linear in some known but time-varying $d$-dimensional context and the noise distribution is fixed over time. We design an algorithm that learns both the linear function and the noise distributions, achieving $\widetilde{O}(nd\sqrt{T})$ regret. Finally, we show that our techniques also apply to the online Prophet Inequality problem, where the learner must decide immediately whether or not to accept a revealed reward. In both non-contextual and contextual settings, our approach achieves similar improvements and regret bounds.

We introduce copresheaf topological neural networks (CTNNs), a powerful unifying framework that encapsulates a wide spectrum of deep learning architectures, designed to operate on structured data, including images, point clouds, graphs, meshes, and topological manifolds. While deep learning has profoundly impacted domains ranging from digital assistants to autonomous systems, the principled design of neural architectures tailored to specific tasks and data types remains one of the field's most persistent open challenges. CTNNs address this gap by formulating model design in the language of copresheaves, a concept from algebraic topology that generalizes most practical deep learning models in use today. This abstract yet constructive formulation yields a rich design space from which theoretically sound and practically effective solutions can be derived to tackle core challenges in representation learning, such as long-range dependencies, oversmoothing, heterophily, and non-Euclidean domains. Our empirical results on structured data benchmarks demonstrate that CTNNs consistently outperform conventional baselines, particularly in tasks requiring hierarchical or localized sensitivity. These results establish CTNNs as a principled multi-scale foundation for the next generation of deep learning architectures.

Large language models (LLMs), despite their impressive performance across a wide range of tasks, often struggle to balance two competing objectives in open-ended text generation: fostering diversity and creativity while preserving logical coherence. Existing truncated sampling techniques, including temperature scaling, top-*p* (nucleus) sampling, and min-*p* sampling, aim to manage this trade-off. However, they exhibit limitations, particularly in the effective incorporation of the confidence of the model into the corresponding sampling strategy. For example, min-*p* sampling relies on a single top token as a heuristic for confidence, eventually underutilizing the information of the probability distribution. To effectively incorporate the model confidence, this paper presents **_top-H_ decoding**. We first establish the theoretical foundation of the interplay between creativity and coherence in truncated sampling by formulating an **entropy-constrained minimum divergence** problem. We then prove this minimization problem to be equivalent to an **entropy-constrained mass maximization (ECMM)** problem, which is NP-hard. Finally, we present top-H decoding, a computationally efficient greedy algorithm to solve the ECMM problem. Extensive empirical evaluations demonstrate that top-H outperforms the state-of-the-art (SoTA) alternative of min-*p* sampling by up to **25.63%** on creative writing benchmarks, while maintaining robustness on question-answering datasets such as GPQA, GSM8K, and MT-Bench. Additionally, an *LLM-as-judge* evaluation confirms that top-H indeed produces coherent outputs even at higher temperatures, where creativity is especially critical. In summary, top-H advances SoTA in open-ended text generation and can be *easily integrated* into creative writing applications. The code is available at [https://github.com/ErfanBaghaei/Top-H-Decoding](https://github.com/ErfanBaghaei/Top-H-Decoding).

We explore the concept of replicability, which ensures algorithmic consistency despite input data variations, for online pricing problems, specifically prophet inequalities and delegation. Given the crucial role of replicability in enhancing transparency in economic decision-making, we present a replicable and nearly optimal pricing strategy for prophet inequalities, achieving a sample complexity of $\textnormal{poly}(\log^* |\mathcal{X}|)$, where $\mathcal{X}$ is the ground set of distributions. Furthermore, we extend these findings to the delegation problem and establish lower bound that proves the necessity of the $\log^*|\mathcal{X}|$ dependence. En route to obtaining these results, we develop a number of technical contributions which are of independent interest. Most notably, we propose a new algorithm for a variant of the heavy hitter problem, which has a nearly linear dependence on the inverse of the heavy hitter parameter, significantly improving upon existing results which have a cubic dependence.

Originating in quantum physics, tensor networks (TNs) have been widely adopted as exponential machines and parametric decomposers for recognition tasks. Typical TN models, such as Matrix Product States (MPS), have not yet achieved successful application in natural image recognition. When employed, they primarily serve to compress parameters within pre-existing networks, thereby losing their distinctive capability to enhance exponential-order feature interactions. This paper introduces a novel architecture named Deep Tree Tensor Network (DTTN), which captures -order multiplicative interactions across features through multilinear operations, while essentially unfolding into a tree-like TN topology with the parameter-sharing property. DTTN is stacked with multiple antisymmetric interacting modules (AIMs), and this design facilitates efficient implementation. Furthermore, our theoretical analysis demonstrates the equivalence between quantum-inspired TN models and polynomial/multilinear networks under specific conditions. We posit that the DTTN could catalyze more interpretable research within this field. The proposed model is evaluated across multiple benchmarks and application domains, demonstrating superior performance compared to both peer methods and state-of-the-art architectures. Our code will be made publicly available upon publication.