NeurIPS 2025 Papers

The Time-Dependent Traveling Salesman Problem (TDTSP) extends classical TSP with dynamic edge weights that vary with departure time, reflecting real-world scenarios like transportation networks, where travel times fluctuate due to congestion patterns. TDTSP violates symmetry, triangle inequality, and cyclic invariance properties of classical TSP, creating unique computational challenges. In this paper, we propose a neural model that extends MatNet from static asymmetric TSP to time-dependent settings through an adjacency tensor that captures temporal variations, followed by a time-aware decoder. Our architecture addresses the unique challenge where asymmetry and triangle inequality violations change dynamically with time. Beyond architectural innovations, our research reveals a critical evaluation insight: many practical TDTSP instances maintain the same optimal solution regardless of time-dependent edge weights. This exposes a fundamental limitation in current evaluation practices for TDTSP that rely solely on average travel time metrics across all instances. Such metrics fail to effectively distinguish between methods that genuinely capture temporal dynamics and those that merely perform well on static routing problems. Instead, we present extensive experiments on real-world datasets, evaluating our approach on both entire datasets and specifically filtered instances where temporal dependencies alter the optimal solution. Results show that our method achieves state-of-the-art average optimality gap on full instances and significant travel time reduction on instances for which time-aware routing saves time. These results demonstrate state-of-the-art ability to identify and exploit temporal dependencies while establishing new standards for evaluating routing problems with temporal dependencies.

Concept-based models are an emerging paradigm in deep learning that constrains the inference process to operate through human-interpretable variables, facilitating explainability and human interaction. However, these architectures, on par with popular opaque neural models, fail to account for the true causal mechanisms underlying the target phenomena represented in the data. This hampers their ability to support causal reasoning tasks, limits out-of-distribution generalization, and hinders the implementation of fairness constraints. To overcome these issues, we propose Causally reliable Concept Bottleneck Models (C$^2$BMs), a class of concept-based architectures that enforce reasoning through a bottleneck of concepts structured according to a model of the real-world causal mechanisms. We also introduce a pipeline to automatically learn this structure from observational data and unstructured background knowledge (e.g., scientific literature). Experimental evidence suggests that C$^2$BMs are more interpretable, causally reliable, and improve responsiveness to interventions w.r.t. standard opaque and concept-based models, while maintaining their accuracy.

We study the online calibration of multi-dimensional forecasts over an arbitrary convex set $\mathcal{P} \subset \mathbb{R}^d$ relative to an arbitrary norm $\Vert\cdot\Vert$. We connect this with the problem of external regret minimization for online linear optimization, showing that if it is possible to guarantee $O(\sqrt{\rho T})$ worst-case regret after $T$ rounds when actions are drawn from $\mathcal{P}$ and losses are drawn from the dual $\Vert \cdot \Vert_*$ unit norm ball, then it is also possible to obtain $\epsilon$-calibrated forecasts after $T = \exp(O(\rho /\epsilon^2))$ rounds. When $\mathcal{P}$ is the $d$-dimensional simplex and $\Vert \cdot \Vert$ is the $\ell_1$-norm, the existence of $O(\sqrt{T\log d})$ algorithms for learning with experts implies that it is possible to obtain $\epsilon$-calibrated forecasts after $T = \exp(O(\log{d}/\epsilon^2)) = d^{O(1/\epsilon^2)}$ rounds, recovering a recent result of Peng 2025. Interestingly, our algorithm obtains this guarantee without requiring access to any online linear optimization subroutine or knowledge of the optimal rate $\rho$ -- in fact, our algorithm is identical for every setting of $\mathcal{P}$ and $\Vert \cdot \Vert$. Instead, we show that the optimal regularizer for the above OLO problem can be used to upper bound the above calibration error by a swap regret, which we then minimize by running the recent TreeSwap algorithm with Follow-The-Leader as a subroutine. The resulting algorithm is highly efficient and plays a distribution over simple averages of past observations in each round. Finally, we prove that any online calibration algorithm that guarantees $\epsilon T$ $\ell_1$-calibration error over the $d$-dimensional simplex requires $T \geq \exp(\mathrm{poly}(1/\epsilon))$ (assuming $d \geq \mathrm{poly}(1/\epsilon)$). This strengthens the corresponding $d^{\Omega(\log{1/\epsilon})}$ lower bound of Peng 2025, and shows that an exponential dependence on $1/\epsilon$ is necessary.

Current LLM unlearning methods are not robust. A few steps of finetuning can revert their effects. We begin by showing that this is true even for an idealized form of unlearning: training to imitate a model that was never trained on unwanted information. This shows that training a model can drastically modify its input-output behavior while leaving its underlying capabilities intact. In light of this dynamic, we show our main result. Training a randomly initialized student on the outputs of an unlearned model transfers behaviors while leaving latent capabilities behind. In short, distillation robustifies unlearning. Based on this result, we propose Unlearn-Noise-Distill-on-Outputs (UNDO), a scalable method that distills an unlearned model into a noised copy of itself. UNDO introduces a tunable tradeoff between compute cost and robustness, establishing a new Pareto frontier on synthetic language and arithmetic tasks. At its strongest setting, UNDO matches the robustness of a model retrained from scratch with perfect data filtering while using only 60-80% of the compute and requiring only 0.01% of the pretraining data to be labeled. We also show that UNDO robustifies unlearning on the more realistic Weapons of Mass Destruction Proxy (WMDP) benchmark. Since distillation is widely used in practice, incorporating an unlearning step beforehand offers a convenient path to robust capability removal.

In AI research and practice, rigor remains largely understood in terms of methodological rigor---such as whether mathematical, statistical, or computational methods are correctly applied. We argue that this narrow conception of rigor has contributed to the concerns raised by the responsible AI community, including overblown claims about the capabilities of AI systems. Our position is that a broader conception of what rigorous AI research and practice should entail is needed. We believe such a conception---in addition to a more expansive understanding of 1) methodological rigor---should include aspects related to 2) what background knowledge informs what to work on (epistemic rigor); 3) how disciplinary, community, or personal norms, standards, or beliefs influence the work (normative rigor); 4) how clearly articulated the theoretical constructs under use are (conceptual rigor); 5) what is reported and how (reporting rigor); and 6) how well-supported the inferences from existing evidence are (interpretative rigor). In doing so, we also provide useful language and a framework for much needed dialogue about the AI community's work by researchers, policymakers, journalists, and other stakeholders.

We propose BlockScan, a customized Transformer for anomaly detection in blockchain transactions. Unlike existing methods that rely on rule-based systems or directly apply off-the-shelf large language models (LLMs), BlockScan introduces a series of customized designs to effectively model the unique data structure of blockchain transactions. First, a blockchain transaction is multi-modal, containing blockchain-specific tokens, texts, and numbers. We design a novel modularized tokenizer to handle these multi-modal inputs, balancing the information across different modalities. Second, we design a customized masked language modeling mechanism for pretraining the Transformer architecture, incorporating RoPE embedding and FlashAttention for handling longer sequences. Finally, we design a novel anomaly detection method based on the model outputs. We further provide theoretical analysis for the detection method of our system. Extensive evaluations on Ethereum and Solana transactions demonstrate BlockScan's exceptional capability in anomaly detection while maintaining a low false positive rate. Remarkably, BlockScan is the only method that successfully detects anomalous transactions on Solana with high accuracy, whereas all other approaches achieved very low or zero detection recall scores. This work sets a new benchmark for applying Transformer-based approaches in blockchain data analysis.

Recent probing studies reveal that large language models exhibit linear subspaces that separate true from false statements, yet the mechanism behind their emergence is unclear. We introduce a transparent, one-layer transformer toy model that reproduces such truth subspaces end-to-end and exposes one concrete route by which they can arise. We study one simple setting in which truth encoding can emerge: a data distribution where factual statements co-occur with other factual statements (and vice-versa), encouraging the model to learn this distinction in order to lower the LM loss on future tokens. We corroborate this pattern with experiments in pretrained language models. Finally, in the toy setting we observe a two-phase learning dynamic: networks first memorize individual factual associations in a few steps, then---over a longer horizon---learn to linearly separate true from false, which in turn lowers language-modeling loss. Together, these results provide both a mechanistic demonstration and an empirical motivation for how and why linear truth representations can emerge in language models.

Non-log-concave sampling from an unnormalized density is fundamental in machine learning and statistics. As datasets grow larger, computational efficiency becomes increasingly important, particularly in reducing adaptive complexity, namely the number of sequential rounds required for sampling algorithms. In this work, we initiate the study of the adaptive complexity of non-log-concave sampling within the framework of relative Fisher information introduced by Balasubramanian et al. in 2022. To obtain a relative fisher information of at most $\varepsilon^2$ from the target distribution, we propose a novel algorithm that reduces the adaptive complexity from $\mathcal{O}(d^2/\varepsilon^4)$ to $\mathcal{O}(d/\varepsilon^2)$ by leveraging parallelism. Furthermore, we show our algorithm is optimal for a specific regime of large $\varepsilon$. Our algorithm builds on a diagonally parallelized Picard iteration, while the lower bound is based on a reduction from the problem of finding stationary points.

Reinforcement Learning from Human Feedback (RLHF) is essential for aligning large language models (LLMs) with human preferences and values. While recent research has primarily focused on algorithmic advancements—such as reducing computational overhead or strengthening reward models to mitigate reward hacking—the critical role of prompt-data construction and its scalability has received comparatively less attention. In this paper, we address this gap by systematically exploring data-driven bottlenecks that currently hinder RLHF performance scaling, focusing specifically on the challenges posed by reward hacking and decreasing response diversity. To mitigate reward hacking, we introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM). This approach not only exhibits enhanced resistance to reward hacking, but also enables accurate assessment of responses against clearly defined ground-truth solutions. Additionally, in order to ensure response diversity and enhance learning effectiveness, we propose a novel prompt-selection method named \textbf{Pre-PPO}, explicitly identifying training prompts that are inherently challenging and thus less prone to reward hacking. Furthermore, we find that \textbf{prioritizing mathematical and coding tasks during the early phases of RLHF training} significantly boosts performance, given that these tasks naturally encode fine-grained response distinctions and possess clearly defined ground truths. Through comprehensive experiments conducted across two model sizes, we validate the effectiveness and scalability of our proposed methods. Results show that RTV exhibits the strongest resistance to reward hacking, followed by GenRM with ground truth, and finally GenRM relying on SFT Best-of-N responses. Moreover, our proposed strategies enable the model to rapidly capture subtle task-specific distinctions, leading to substantial improvements in overall RLHF performance. This work underscores the importance of careful data construction and provides practical methodologies to overcome critical performance barriers in RLHF.

AI-generated image detection has become crucial with the rapid advancement of vision-generative models. Instead of training detectors tailored to specific datasets, we study a training-free approach leveraging self-supervised models without requiring prior data knowledge. These models, pre-trained with augmentations like $\texttt{RandomResizedCrop}$, learn to produce consistent representations across varying resolutions. Motivated by this, we propose $\textbf{WaRPAD},$ a training-free AI-generated image detection algorithm based on self-supervised models. Since neighborhood pixel differences in images are highly sensitive to resizing operations, WaRPAD first defines a base score function that quantifies the sensitivity of image embeddings to perturbations along high-frequency directions extracted via Haar wavelet decomposition. To simulate robustness against cropping augmentation, we rescale each image to a multiple of the model’s input size, divide it into smaller patches, and compute the base score for each patch. The final detection score is then obtained by averaging the scores across all patches. We validate WaRPAD on real datasets of diverse resolutions and domains, and images generated by 23 different generative models. Our method consistently achieves competitive performance and demonstrates strong robustness to test-time corruptions. Furthermore, as invariance to $\texttt{RandomResizedCrop}$ is a common training scheme across self-supervised models, we show that WaRPAD is applicable across self-supervised models.

Generalization in robot manipulation is essential for deploying robots in open-world environments and advancing toward artificial general intelligence. While recent Vision-Language-Action (VLA) models leverage large pre-trained understanding models for perception and instruction following, their ability to generalize to novel tasks, objects, and settings remains limited. In this work, we present VideoVLA, a simple approach that explores the potential of transforming large video generation models into robotic VLA manipulators. Given a language instruction and an image, VideoVLA predicts an action sequence as well as the future visual outcomes. Built on a multi-modal Diffusion Transformer, VideoVLA jointly models video, language, and action modalities, using pre-trained video generative models for joint visual and action forecasting. Our experiments show that high-quality imagined futures correlate with reliable action predictions and task success, highlighting the importance of visual imagination in manipulation. VideoVLA demonstrates strong generalization, including imitating other embodiments' skills and handling novel objects. This dual-prediction strategy—forecasting both actions and their visual consequences—explores a paradigm shift in robot learning and unlocks generalization capabilities in manipulation systems.

In visual generation, the quadratic complexity of attention mechanisms results in high memory and computational costs, especially for longer token sequences required in high-resolution image or multi-frame video generation. To address this, prior research has explored techniques such as sparsification and quantization. However, these techniques face significant challenges under low density and reduced bitwidths. Through systematic analysis, we identify that the core difficulty stems from the dispersed and irregular characteristics of visual attention patterns. Therefore, instead of introducing specialized sparsification and quantization design to accommodate such patterns, we propose an alternative strategy: "reorganizing" the attention pattern to alleviate the challenges. Inspired by the local aggregatin nature of visual feature extraction, we design a novel **P**attern-**A**ware token **R**e**O**rdering (**PARO**) technique, which unifies the diverse attention patterns into a hardware-friendly block-wise pattern. This unification substantially simplifies and enhances both sparsification and quantization. We evaluate the performance-efficiency trade-offs of various design choices and finalize a methodology tailored for the unified pattern. Our approach, **PAROAttention**, achieves video and image generation with lossless metrics, and nearly identical results from full-precision (FP) baselines, while operating at notably lower density (**20%-30%**) and bitwidth (**INT8/INT4**), achieving a **1.9 - 2.7x** end-to-end latency speedup.

Reconstruction and joint-embedding have emerged as two leading paradigms in Self‑Supervised Learning (SSL). Reconstruction methods focus on recovering the original sample from a different view in input space. On the other hand, joint-embedding methods align the representations of different views in latent space. Both approaches offer compelling advantages, yet practitioners lack clear guidelines for choosing between them. In this work, we unveil the core mechanisms that distinguish each paradigm. By leveraging closed-form solutions for both approaches, we precisely characterize how the view generation process, e.g. data augmentation, impacts the learned representations. We then demonstrate that, unlike supervised learning, both SSL paradigms require a minimal alignment between augmentations and irrelevant features to achieve asymptotic optimality with increasing sample size. Our findings indicate that in scenarios where these irrelevant features have a large magnitude, joint-embedding methods are preferable because they impose a strictly weaker alignment condition compared to reconstruction-based methods. These results not only clarify the trade-offs between the two paradigms but also substantiate the empirical success of joint-embedding approaches on real-world challenging datasets.

Correlated equilibria —and their generalization $\Phi$-equilibria— are a fundamental object of study in game theory, offering a more tractable alternative to Nash equilibria in multi-player settings. While computational aspects of equilibrium computation are well-understood in some settings, fundamental questions are still open in _generalized games_, that is, games in which the set of strategies allowed to each player depends on the other players' strategies. These classes of games model fundamental settings in economics and have been a cornerstone of economics research since the seminal paper of Arrow and Debreu [1954]. Recently, there has been growing interest, both in economics and in computer science, in studying correlated equilibria in generalized games. It is known that finding a social welfare maximizing correlated equilibrium in generalized games is NP-hard. However, the existence of efficient algorithms to find _any_ equilibrium remains an important open question. In this paper, we answer this question negatively, showing that this problem is PPAD-complete.

The recent DeepSeek-R1 release has demonstrated the immense potential of reinforcement learning (RL) in enhancing the general reasoning capabilities of large language models (LLMs). While DeepSeek-R1 and other follow-up work primarily focus on applying RL to competitive coding and math problems, this paper introduces SWE-RL, the first approach to scale RL-based LLM reasoning for real-world software engineering. Leveraging a lightweight rule-based reward (e.g., the similarity score between ground-truth and LLM-generated solutions), SWE-RL enables LLMs to autonomously recover a developer's reasoning processes and solutions by learning from extensive open-source software evolution data -- the record of a software's entire lifecycle, including its code snapshots, code changes, and events such as issues and pull requests. Trained on top of Llama 3, our resulting reasoning model, Llama3-SWE-RL-70B, achieves a 41.0% solve rate on SWE-bench Verified -- a human-verified collection of real-world GitHub issues. To our knowledge, this is the best performance reported for medium-sized (<100B) LLMs to date, even comparable to leading proprietary LLMs like GPT-4o. Surprisingly, despite performing RL solely on software evolution data, Llama3-SWE-RL has even emerged with generalized reasoning skills. For example, it shows improved results on five out-of-domain tasks, namely, function coding, library use, code reasoning, mathematics, and general language understanding, whereas a supervised-finetuning baseline even leads to performance degradation on average. Overall, SWE-RL opens up a new direction to improve the reasoning capabilities of LLMs through reinforcement learning on massive software engineering data.

In concept erasure, a model is modified to selectively prevent it from generating a target concept. Despite the rapid development of new methods, it remains unclear how thoroughly these approaches remove the target concept from the model. We begin by proposing two conceptual models for the erasure mechanism in diffusion models: (i) interfering with the model’s internal guidance processes, and (ii) reducing the unconditional likelihood of generating the target concept, potentially removing it entirely. To assess whether a concept has been truly erased from the model, we introduce a comprehensive suite of independent probing techniques: supplying visual context, modifying the diffusion trajectory, applying classifier guidance, and analyzing the model's alternative generations that emerge in place of the erased concept. Our results shed light on the value of exploring concept erasure robustness outside of adversarial text inputs, and emphasize the importance of comprehensive evaluations for erasure in diffusion models.

We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary continuous-time Markov processes, e.g., diffusion, flow, and jump, and can generate data from continuous, discrete, and a mixture of two modalities. To this end, we propose estimating the generator matching loss using self-normalized importance sampling with an additional bootstrapping trick to reduce variance in the importance weight. We validate EGM on both discrete and multimodal tasks up to 100 and 20 dimensions, respectively.

For continuous systems modeled by dynamical equations such as ODEs and SDEs, Bellman's principle of optimality takes the form of the Hamilton-Jacobi-Bellman (HJB) equation, which provides the theoretical target of reinforcement learning (RL). Although recent advances in RL successfully leverage this formulation, the existing methods typically assume the underlying dynamics are known a priori because they need explicit access to the coefficient functions of dynamical equations to update the value function following the HJB equation. We address this inherent limitation of HJB-based RL; we propose a model-free approach still targeting the HJB equation and propose the corresponding temporal difference method. We establish exponential convergence of the idealized continuous-time dynamics and empirically demonstrate its potential advantages over transition–kernel–based formulations. The proposed formulation paves the way toward bridging stochastic control and model-free reinforcement learning.

As large language models increasingly gain popularity in real-world applications, processing extremely long contexts, often exceeding the model’s pre-trained context limits, has emerged as a critical challenge. While existing approaches to efficient long-context processing show promise, recurrent compression-based methods struggle with information preservation, whereas random access approaches require substantial memory resources. We introduce REFORM, a novel inference framework that efficiently handles long contexts through a two-phase approach. First, it incrementally processes input chunks while maintaining a compressed KV cache, constructs cross-layer context embeddings, and utilizes early exit strategy for improved efficiency. Second, it identifies and gathers essential tokens via similarity matching and selectively recomputes the KV cache. Compared to baselines, REFORM achieves over 50% and 27% performance gains on RULER and BABILong respectively at 1M context length. It also outperforms baselines on ∞-Bench, RepoEval, and MM-NIAH, demonstrating flexibility across diverse tasks and domains. Additionally, REFORM reduces inference time by 30% and peak memory usage by 5%, achieving both efficiency and superior performance.