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Adversarial Contamination Meets Hard Thresholding: An Iterative Algorithm with Signal Adaptivity and Minimax Optimality
Pervasive data contamination -- stemming from measurement errors, outliers, or adversarial corruption -- has motivated the development of robust statistical methods. In this context, we propose a two-stage Adversarial Contamination-resistant Iterative Hard Thresholding (AC-IHT) algorithm for high-dimensional regression with contamination. Our nonconvex algorithm achieves minimax near-optimal (up to logarithmic terms) estimation by iteratively updating the coefficient vector and the contamination vector with different thresholding scales. We further demonstrate that our AC-IHT estimator is signal-adaptive: under proper signal conditions, it adaptively attains a sharper estimation rate and more accurate support recovery. Moreover, it enjoys the strong oracle property, laying a theoretical foundation for asymptotic inference. Numerical experiments confirm its superior finite-sample performance. Finally, we discuss theoretical extensions of the proposed procedure to generalized linear models and to heavy-tailed noise settings.
VGB for Masked Diffusion Model: Efficient Test-time Scaling for Reward Satisfaction and Sample Editing
Jeon, Kijung, Vuong, Thuy-Duong, Tao, Molei
Inference-time scaling is a promising paradigm to improve generative models, especially when outputs must satisfy structural constraints or optimize downstream rewards. We consider Masked Diffusion Model (MDM) and introduce MDM-VGB, a discrete diffusion sampler that augments unmasking generation with theoretically principled reward-guided remasking. Inspired by the recent success of the classical Jerrum-Sinclair backtracking Markov chain in reward-tilted generation, MDM-VGB extends the backtracking random walk from a fixed prefix tree to a masked-state graph, allowing tokens to be unmasked and remasked at arbitrary positions. The resulting sampler favors unmasking and remasking moves that lead to higher-value partial configurations, enabling both effective high-reward generation and efficient repair of low-reward samples. We prove that MDM-VGB is robust to process-verifier noise and achieves quadratic complexity, while popular test-time heuristics such as best-of-$N$ can incur exponential complexity due to error accumulation. Our theoretical findings are corroborated by strong empirical performance, particularly on popular constraint-satisfaction and scientific benchmarks such as Sudoku and QM9.
When are likely answers right? On Sequence Probability and Correctness in LLMs
Zenn, Johannes, Geiping, Jonas
Many decoding methods for large language models can be understood as shifting probability mass toward outputs that are more likely under the model, either locally at the token level or globally at the sequence level. Therefore, their success depends on a fundamental question: when does sequence probability, that is, the conditional probability of a continuation given a prompt, actually align with correctness? In this paper, we set out to quantify this relationship across decoding methods, models, and benchmarks at four levels: across decoding methods, across hyperparameters within a method, across prompt-answer pairs within a dataset, and across repeated responses to the same prompt. We find that higher sequence probability is often predictive of correctness across prompt-answer pairs within a fixed dataset. However, this relationship does not generally transfer to decoding decisions: increasing sequence probability by changing hyperparameters or methods does not reliably improve accuracy. Further, sequence probability is not a good indicator of correctness for responses to the same prompt. These findings clarify when decoding can and cannot be expected to improve correctness, and provide practical guidance for decoding, self-consistency, and verifier-free self-improvement.
A Step Towards Inherently Interpretable Causal Machine Learning Models For Decision Support
The growing reliance on machine learning for decisions across sectors underscores the importance of model transparency and interpretability. Existing post-hoc explainability methods and inherently interpretable approaches shed light on model behavior, yet they primarily reveal how models exploit correlations to maximize performance in prediction tasks. However, many decisions require causal insights and the possibility of using models for what-if scenario evaluation. To address this, we propose the integration of causal machine learning with inherently interpretable models for cross-sectional data. We evaluate these methods in terms of predictive accuracy and interpretability. Our findings show that the proposed approach achieves competitive performance in prediction and what-if analysis while offering transparency on the system structure, causal relationships among variables, and the functional forms that connect them. This work contributes to research on causality, machine learning interpretability, and data-driven decision support by offering informed, transparent, and causally grounded decisions.
Probing Neural Combinatorial Optimization Models
Neural combinatorial optimization (NCO) has achieved remarkable performance, yet its learned model representations and decision rationale remain a black box. This impedes both academic research and practical deployment, since researchers and stakeholders require deeper insights into NCO models. In this paper, we take the first critical step towards interpreting NCO models by investigating their representations through various probing tasks. Moreover, we introduce a novel probing tool named Coefficient Significance Probing (CS-Probing) to enable deeper analysis of NCO representations by examining the coefficients and statistical significance during probing. Extensive experiments and analysis reveal that NCO models encode low-level information essential for solution construction, while capturing high-level knowledge to facilitate better decisions. Using CS-Probing, we find that prevalent NCO models impose varying inductive biases on their learned representations, uncover direct evidence related to model generalization, and identify key embedding dimensions associated with specific knowledge. These insights can be potentially translated into practice, for example, with minor code modifications, we improve the generalization of the analyzed model. Our work represents a first systematic attempt to interpret black-box NCO models, showcasing probing as a promising tool for analyzing their internal mechanisms and revealing insights for the NCO community. The source code is publicly available 2.
Zero-Shot Trajectory Planning for Signal Temporal Logic Tasks
Signal Temporal Logic (STL) is a powerful specification language for describing complex temporal behaviors of continuous signals, making it well-suited for highlevel robotic task descriptions. However, generating executable plans for STL tasks is challenging, as it requires consideration of the coupling between the task specification and the system dynamics. Existing approaches either follow a modelbased setting that explicitly requires knowledge of the system dynamics or adopt a task-oriented data-driven approach to learn plans for specific tasks. In this work, we address the problem of generating executable STL plans for systems with unknown dynamics. We propose a hierarchical planning framework that enables zero-shot generalization to new STL tasks by leveraging only task-agnostic trajectory data during offline training. The framework consists of three key components: (i) decomposing the STL specification into several progresses and time constraints, (ii) searching for timed waypoints that satisfy all progresses under time constraints, and (iii) generating trajectory segments using a pre-trained diffusion model and stitching them into complete trajectories. We formally prove that our method guarantees STL satisfaction, and simulation results demonstrate its effectiveness in generating dynamically feasible trajectories across diverse long-horizon STL tasks.
Rethinking Neural Combinatorial Optimization for Vehicle Routing Problems with Different Constraint Tightness Degrees
Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and propose a multiexpert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performance on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees.
Geometric Algorithms for Neural Combinatorial Optimization with Constraints
Self-Supervised Learning (SSL) for Combinatorial Optimization (CO) is an emerging paradigm for solving combinatorial problems using neural networks. In this paper, we address a central challenge of SSL for CO: solving problems with discrete constraints. We design an end-to-end differentiable framework that enables us to solve discrete constrained optimization problems with neural networks. Concretely, we leverage algorithmic techniques from the literature on convex geometry and Carathéodory's theorem to decompose neural network outputs into convex combinations of polytope corners that correspond to feasible sets. This decomposition-based approach enables self-supervised training but also ensures efficient quality-preserving rounding of the neural net output into feasible solutions. Extensive experiments in cardinality-constrained optimization show that our approach can consistently outperform neural baselines. We further provide workedout examples of how our method can be applied beyond cardinality-constrained problems to a diverse set of combinatorial optimization tasks, including finding independent sets in graphs, and solving matroid-constrained problems.
Clip-and-Verify: Linear Constraint-Driven Domain Clipping for Accelerating Neural Network Verification
State-of-the-art neural network (NN) verifiers demonstrate that applying the branchand-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as α,β-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the α,β-CROWNverifier, the VNN-COMP 2025 winner.