NeurIPS 2025 论文列表

Craig interpolation plays a central role in formal verification tasks such as model checking, invariant generation, and abstraction refinement. In the domain of linear integer arithmetic (LIA), interpolants are crucial for deriving inductive invariants that characterize unreachable or safe program states, enabling scalable and precise reasoning about software and hardware correctness. Despite progress in interpolation algorithms, generating concise and interpretable interpolants remains a key challenge. We propose a lightweight learning-based approach to generating simple interpolants for LIA. Our model learns to lazily sample input problems directly and is complementary to existing logical methods. When Z3 is guided by our learned model, the complexity of the interpolants it produces can be reduced by up to 47.3%. For older solvers, the reduction rate can reach up to 69.1%.

Multimodal Sentiment Analysis (MSA) aims to infer human emotions by integrating complementary signals from diverse modalities. However, in real-world scenarios, missing modalities are common due to data corruption, sensor failure, or privacy concerns, which can significantly degrade model performance. To tackle this challenge, we propose Hyper-Modality Enhancement (HME), a novel framework that avoids explicit modality reconstruction by enriching each observed modality with semantically relevant cues retrieved from other samples. This cross-sample enhancement reduces reliance on fully observed data during training, making the method better suited to scenarios with inherently incomplete inputs. In addition, we introduce an uncertainty-aware fusion mechanism that adaptively balances original and enriched representations to improve robustness. Extensive experiments on three public benchmarks show that HME consistently outperforms state-of-the-art methods under various missing modality conditions, demonstrating its practicality in real-world MSA applications.

Large language models (LLMs) have become integral to a wide range of applications worldwide, driving an unprecedented global demand for effective multilingual capabilities. Central to achieving robust multilingual performance is the strategic allocation of language proportions within training corpora. However, determining optimal language ratios is highly challenging due to intricate cross-lingual interactions and sensitivity to dataset scale. This paper introduces CLIMB (Cross-Lingual Interaction-aware Multilingual Balancing), a novel framework designed to systematically optimize multilingual data allocation. At its core, CLIMB introduces a cross-lingual interaction-aware language ratio, explicitly quantifying each language’s effective allocation by capturing inter-language dependencies. Leveraging this ratio, CLIMB proposes a principled two-step optimization procedure—first equalizing marginal benefits across languages, then maximizing the magnitude of the resulting language allocation vectors—significantly simplifying the inherently complex multilingual optimization problem. Extensive experiments confirm that CLIMB can accurately measure cross-lingual interactions across various multilingual settings. LLMs trained with CLIMB-derived proportions consistently achieve state-of-the-art multilingual performance, even achieve competitive performance with open-sourced LLMs trained with more tokens.

Continual Learning (CL) aims to enable models to continuously acquire new knowledge from a sequence of tasks with avoiding the forgetting of learned information. However, existing CL methods only rely on the parameters of the most recent task for inference, which makes them susceptible to catastrophic forgetting. Inspired by the recent success of model merging techniques, we propose Perturb-and-Merge (P\&M), a novel continual learning framework that integrates model merging into the CL paradigm to mitigate forgetting. Specifically, after training on each task, P\&M constructs a new model by forming a convex combination of the previous model and the newly trained task-specific model. Through theoretical analysis, We minimize the total loss increase across all tasks and derive a closed-form solution for the merging coefficient under mild assumptions. To further improve the performance of the merged model, we observe that the degradation introduced during merging can be alleviated by a regularization term composed of the task vector and the Hessian matrix of the loss function. Interestingly, we show that this term can be efficiently approximated using second-order symmetric finite differences, and a stochastic perturbation strategy along the task vector direction is accordingly devised which incurs no additional forward or backward passes while providing an effective approximation of the regularization term. Finally, we combine P\&M with LoRA, a parameter-efficient fine-tuning method, to reduce memory overhead. Our proposed approach achieves state-of-the-art performance on several continual learning benchmark datasets. The code is available at \url{https://github.com/qhmiao/P-M-for-Continual-Learning}.

Semantic segmentation neural networks (SSNs) are increasingly essential in high-stakes fields such as medical imaging, autonomous driving, and environmental monitoring, where robustness to input uncertainties and adversarial examples is crucial for ensuring safety and reliability. However, traditional probabilistic verification methods struggle to scale effectively with the size and depth of modern SSNs, especially when dealing with their high-dimensional, structured inputs/outputs. As the output dimension increases, these methods tend to become overly conservative, resulting in unnecessarily restrictive safety guarantees. In this work, we propose a probabilistic, data-driven verification algorithm that is architecture-agnostic and scalable, capable of handling the high-dimensional outputs of SSNs without introducing conservative and loose guarantees. We leverage efficient sampling-based reachability analysis to explore the space of possible outputs while maintaining computational feasibility. Our methodology is based on Conformal Inference (CI), which is known for its high data efficiency. However, CI tends to be overly conservative in high-dimensional spaces. To address this, in this paper, we introduce techniques to mitigate these sources of conservatism, enabling us to provide less conservative yet provable guarantees for SSNs. We validate our approach on large segmentation models applied to CamVid, OCTA-500 and Lung\_Segmentation, and Cityscapes datasets, showing that it can offer reliable safety guarantees while lowering the conservatism inherent in traditional methods. We also provide a public GitHub repository for this approach, to support reproducibility.

Conformal Prediction (CP) is a powerful statistical machine learning tool to construct uncertainty sets with coverage guarantees, which has fueled its extensive adoption in generating prediction regions for decision-making tasks, e.g., Trajectory Optimization (TO) in uncertain environments. However, existing methods predominantly employ a sequential scheme, where decisions rely unidirectionally on the prediction regions, and consequently the information from decision-making fails to be fed back to instruct CP. In this paper, we propose a novel Feedback-Based CP (Fb-CP) framework for shrinking-horizon TO with a joint risk constraint over the entire mission time. Specifically, a CP-based posterior risk calculation method is developed by fully leveraging the realized trajectories to adjust the posterior allowable risk, which is then allocated to future times to update prediction regions. In this way, the information in the realized trajectories is continuously fed back to the CP, enabling attractive feedback-based adjustments of the prediction regions and a provable online improvement in trajectory performance. Furthermore, we theoretically prove that such adjustments consistently maintain the coverage guarantees of the prediction regions, thereby ensuring provable safety. Additionally, we develop a decision-focused iterative risk allocation algorithm with theoretical convergence analysis for allocating the posterior allowable risk which closely aligns with Fb-CP. Furthermore, we extend the proposed method to handle distribution shift. The effectiveness and superiority of the proposed method are demonstrated through benchmark experiments.

A recent study has proposed the ``Master Key Filters Hypothesis" for convolutional neural network filters. This paper extends this hypothesis by radically constraining its scope to a single set of just 8 universal filters that depthwise separable convolutional networks inherently converge to. While conventional DS-CNNs employ thousands of distinct trained filters, our analysis reveals these filters are predominantly linear shifts (ax+b) of our discovered universal set. Through systematic unsupervised search, we extracted these fundamental patterns across different architectures and datasets. Remarkably, networks initialized with these 8 unique frozen filters achieve over 80\% ImageNet accuracy, and even outperform models with thousands of trainable parameters when applied to smaller datasets. The identified master key filters closely match Difference of Gaussians (DoGs), Gaussians, and their derivatives, structures that are not only fundamental to classical image processing but also strikingly similar to receptive fields in mammalian visual systems. Our findings provide compelling evidence that depthwise convolutional layers naturally gravitate toward this fundamental set of spatial operators regardless of task or architecture. This work offers new insights for understanding generalization and transfer learning through the universal language of these master key filters.

Estimating associations between spatial covariates and responses — rather than merely predicting responses — is central to environmental science, epidemiology, and economics. For instance, public health officials might be interested in whether air pollution has a strictly positive association with a health outcome, and the magnitude of any effect. Standard machine learning methods often provide accurate predictions but offer limited insight into covariate-response relationships. And we show that existing methods for constructing confidence (or credible) intervals for associations can fail to provide nominal coverage in the face of model misspecification and nonrandom locations — despite both being essentially always present in spatial problems. We introduce a method that constructs valid frequentist confidence intervals for associations in spatial settings. Our method requires minimal assumptions beyond a form of spatial smoothness and a homoskedastic Gaussian error assumption. In particular, we do not require model correctness or covariate overlap between training and target locations. Our approach is the first to guarantee nominal coverage in this setting and outperforms existing techniques in both real and simulated experiments. Our confidence intervals are valid in finite samples when the noise of the Gaussian error is known, and we provide an asymptotically consistent estimation procedure for this noise variance when it is unknown.

Multi-arm bandit experimental designs are increasingly being adopted over standard randomized trials due to their potential to improve outcomes for study participants, enable faster identification of the best-performing options, and/or enhance the precision of estimating key parameters. Current approaches for inference after adaptive sampling either rely on asymptotic normality under restricted experiment designs or underpowered martingale concentration inequalities that lead to weak power in practice. To bypass these limitations, we propose a simulation-based approach for conducting hypothesis tests and constructing confidence intervals for arm specific means and their differences. Our simulation-based approach uses positively biased nuisances to generate additional trajectories of the experiment, which we call \textit{simulation with optimism}. Using these simulations, we characterize the distribution potentially non-normal sample mean test statistic to conduct inference. We provide guarantees for (i) asymptotic type I error control, (ii) convergence of our confidence intervals, and (iii) asymptotic strong consistency of our estimator over a wide variety of common bandit designs. Our empirical results show that our approach achieves the desired coverage while reducing confidence interval widths by up to 50\%, with drastic improvements for arms not targeted by the design.

Safety validation, which assesses the safety of an autonomous system's motion planning decisions, is critical for the safe deployment of autonomous vehicles. Existing input validation techniques from other machine learning domains, such as image classification, face unique challenges in motion planning due to its contextual properties, including complex inputs and one-to-many mapping. Furthermore, current output validation methods in autonomous driving primarily focus on open-loop trajectory prediction, which is ill-suited for the closed-loop nature of motion planning. We introduce REDOUBT, the first systematic safety validation framework for autonomous vehicle motion planning that employs a duo mechanism, simultaneously inspecting input distributions and output uncertainty. REDOUBT identifies previously overlooked unsafe modes arising from the interplay of In-Distribution/Out-of-Distribution (OOD) scenarios and certain/uncertain planning decisions. We develop specialized solutions for both OOD detection via latent flow matching and decision uncertainty estimation via an energy-based approach. Our extensive experiments demonstrate that both modules outperform existing approaches, under both open-loop and closed-loop evaluation settings. Our codes are available at: https://github.com/sgNicola/Redoubt.

Modifying well-trained models for purposes such as pruning or unlearning, without access to training data or the original loss function, is a challenging problem. While techniques exist for such modification, they often require training data, are computationally expensive, or are architecture-specific. To address this, we investigate the fundamental question of identifying components that are critical to the model’s predictive performance, without access to either gradients or the loss function, and with only distributional access such as synthetic data. We theoretically demonstrate that the global reconstruction error is linearly bounded by local reconstruction errors for Lipschitz-continuous networks such as CNNs and well-trained Transformers (which, contrary to existing literature, we find exhibit Lipschitz continuity). This motivates using the locally reconstructive behavior of component subsets to quantify their global importance, via a metric that we term *Subset Fidelity*. In the uncorrelated features setting, selecting individual components via their Subset Fidelity scores is optimal, which we use to propose **ModHiFi**, an algorithm for model modification that requires no training data or loss function access. **ModHiFi-P**, for structured pruning, achieves an 11% speedup over the current state of the art on ImageNet models and competitive performance on language models. **ModHiFi-U**, for classwise unlearning, achieves complete unlearning on CIFAR-10 without fine-tuning and demonstrates competitive performance on Swin Transformers.

We study weight-only post-training quantization (PTQ), which quantizes the weights of a large language model (LLM) without retraining, using little or no calibration data. Weight-only PTQ is crucial for reducing the memory footprint and latency of LLM inference, especially in memory-bound, small-batch inference scenarios, such as personalized inference on edge devices. Despite its importance, irregular weight distributions with heavy-tailed outliers in LLMs complicate quantization, recently motivating rotation-based methods that transform weights into near-Gaussian distributions, which are more regular with fewer outliers, thereby reducing quantization error. In this work, we first derive the information-theoretically optimal bit allocation for Gaussianized weights under given bit budgets, revealing that fine-grained fractional-bit quantizers approaching the Gaussian distortion-rate bound are essential to achieve near-optimal quantization performance. To bridge this theoretical insight and practical implementation, we introduce Q-Palette, a versatile collection of fractional-bit quantizers that range from trellis-coded quantizers offering near-optimal distortion to simpler vector and scalar quantizers optimized for faster inference, all efficiently implemented with optimized CUDA kernels across various bitwidths. Furthermore, leveraging Q-Palette as a foundational component, we propose a novel mixed-scheme quantization framework, jointly optimizing quantizer choices and layer fusion decisions given resource constraints. The code is available at https://github.com/snu-mllab/Q-Palette.

Robust partially observable Markov decision processes (RPOMDPs) model sequential decision-making problems under partial observability, where an agent must be robust against a range of dynamics. RPOMDPs can be viewed as a two-player game between an agent, who selects actions, and nature, who adversarially selects the dynamics. Evaluating an agent policy requires finding an adversarial nature policy, which is computationally challenging. In this paper, we advance the evaluation of agent policies for RPOMDPs in three ways. First, we discuss suitable benchmarks. We observe that for some RPOMDPs, an optimal agent policy can be found by considering only subsets of nature policies, making them easier to solve. We formalize this concept of solvability and construct three benchmarks that are only solvable for expressive sets of nature policies. Second, we describe a new method to evaluate agent policies for RPOMDPs by solving an equivalent MDP. Third, we lift two well-known upper bounds from POMDPs to RPOMDPs, which can be used to efficiently approximate the optimality gap of a policy and serve as baselines. Our experimental evaluation shows that (1) our proposed benchmarks cannot be solved by assuming naive nature policies, (2) our method of evaluating policies is accurate, and (3) the upper bounds provide solid baselines for evaluation

Time series are often irregularly sampled with uneven time intervals. In multivariate cases, such irregularities may lead to misaligned observations across variables and varying observation counts, making it difficult to extract intrinsic patterns and degrading the classification performance of deep learning models. In this study, we propose an adaptive time encoding approach to address the challenge of irregular sampling in multivariate time-series classification. Our approach generates latent representations at learnable reference points that capture missingness patterns in irregular sequences, enhancing classification performance. We also introduce consistency regularization techniques to incorporate intricate temporal and intervariable information into the learned representations. Extensive experiments demonstrate that our method achieves state-of-the-art performance with high computational efficiency in irregular multivariate time-series classification tasks.

To migrate the remarkable successes of Large Language Models (LLMs), the community has made numerous efforts to generalize them to the table reasoning tasks for the widely deployed tabular data. Despite that, in this work, by showing a probing experiment on our proposed StructQA benchmark, we postulate that even the most advanced LLMs (such as GPTs) may still fall short of coping with tabular data. More specifically, the current scheme often simply relies on serializing the tabular data, together with the meta information, then inputting them through the LLMs. We argue that the loss of structural information is the root of this shortcoming. In this work, we further propose TAMO, which bears an ideology to treat the tables as an independent modality integrated with the text tokens. The resulting model in TAMO is a multimodal framework consisting of a hypergraph neural network as the global table encoder seamlessly integrated with the mainstream LLM. Empirical results on various benchmarking datasets, including HiTab, WikiTQ, WikiSQL, FeTaQA, and StructQA, have demonstrated significant improvements on generalization with an average relative gain of **42.65%**.

Key-value (KV) cache compression has emerged as a critical technique for reducing the memory and latency overhead of autoregressive language models during inference. Prior approaches predominantly rely on query-key attention scores to rank and evict cached tokens, assuming that attention intensity correlates with semantic importance. However, this heuristic overlooks the contribution of value vectors, which directly influence the attention output. In this paper, we propose CurDKV, a novel, value-centric KV compression method that selects keys and values based on leverage scores computed from CUR matrix decomposition. Our approach approximates the dominant subspace of the attention output $\mathrm{softmax}(QK^\top)V$, ensuring that the retained tokens best preserve the model’s predictive behavior. Theoretically, we show that attention score approximation does not guarantee output preservation, and demonstrate that CUR-based selection minimizes end-to-end attention reconstruction loss. Empirically, CurDKV achieves up to $9.6$\% higher accuracy than state-of-the-art methods like SnapKV and ChunkKV under aggressive compression budgets on LLaMA and Mistral, while maintaining compatibility with FlashAttention and Grouped Query Attention. In addition to improved accuracy, CurDKV reduces generation latency by up to 40\% at high compression, offering a practical speed-accuracy tradeoff.

Benefiting from high capacity for capturing complex temporal patterns, deep learning (DL) has significantly advanced time series forecasting (TSF). However, deep models tend to suffer from severe overfitting due to the inherent vulnerability of time series to noise and anomalies. The prevailing DL paradigm uniformly optimizes all timesteps through the MSE loss and learns those uncertain and anomalous timesteps without difference, ultimately resulting in overfitting. To address this, we propose a novel selective learning strategy for deep TSF. Specifically, selective learning screens a subset of the whole timesteps to calculate the MSE loss in optimization, guiding the model to focus on generalizable timesteps while disregarding non-generalizable ones. Our framework introduces a dual-mask mechanism to target timesteps: (1) an uncertainty mask leveraging residual entropy to filter uncertain timesteps, and (2) an anomaly mask employing residual lower bound estimation to exclude anomalous timesteps. Extensive experiments across eight real-world datasets demonstrate that selective learning can significantly improve the predictive performance for typical state-of-the-art deep models, including 37.4% MSE reduction for Informer, 8.4% for TimesNet, and 6.5% for iTransformer.

Safety is a fundamental challenge in reinforcement learning (RL), particularly in real-world applications such as autonomous driving, robotics, and healthcare. To address this, Constrained Markov Decision Processes (CMDPs) are commonly used to enforce safety constraints while optimizing performance. However, existing methods often suffer from significant safety violations or require a high sample complexity to generate near-optimal policies. We address two settings: relaxed feasibility, where small violations are allowed, and strict feasibility, where no violation is allowed. We propose a model-based primal-dual algorithm that balances regret and bounded constraint violations, drawing on techniques from online RL and constrained optimization. For relaxed feasibility, we prove that our algorithm returns an $\varepsilon$-optimal policy with $\varepsilon$-bounded violation with arbitrarily high probability, requiring $\tilde{O}\left(\frac{SAH^3}{\varepsilon^2}\right)$ learning episodes, matching the lower bound for unconstrained MDPs. For strict feasibility, we prove that our algorithm returns an $\varepsilon$-optimal policy with zero violation with arbitrarily high probability, requiring $\tilde{O}\left(\frac{SAH^5}{\varepsilon^2\zeta^2}\right)$ learning episodes, where $\zeta$ is the problem-dependent Slater constant characterizing the size of the feasible region. This result matches the lower bound for learning CMDPs with access to a generative model. Episodic tabular CMDPs serve as a crucial benchmark for safe RL, providing a structured environment for theoretical analysis and algorithmic validation. Our results demonstrate that learning CMDPs in an online setting is as easy as learning with a generative model and is no more challenging than learning unconstrained MDPs when small violations are allowed.

Modern deep generative models can now produce high-quality synthetic samples that are often indistinguishable from real training data. A growing body of research aims to understand why recent methods, such as diffusion and flow matching techniques, generalize so effectively. Among the proposed explanations are the inductive biases of deep learning architectures and the stochastic nature of the conditional flow matching loss. In this work, we rule out the noisy nature of the loss as a key factor driving generalization in flow matching. First, we empirically show that in high-dimensional settings, the stochastic and closed-form versions of the flow matching loss yield nearly equivalent losses. Then, using state-of-the-art flow matching models on standard image datasets, we demonstrate that both variants achieve comparable statistical performance, with the surprising observation that using the closed-form can even improve performance.