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This paper presents a framework to tackle constrained combinatorial optimization problems using deep Reinforcement Learning (RL). To this end, we extend the Neural Combinatorial Optimization (NCO) theory in order to deal with constraints in…

Machine Learning · Computer Science 2020-06-23 Ruben Solozabal , Josu Ceberio , Martin Takáč

Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that…

Machine Learning · Computer Science 2021-07-15 Brandon Trabucco , Aviral Kumar , Xinyang Geng , Sergey Levine

Model overconfidence and poor calibration are common in machine learning and difficult to account for when applying standard empirical risk minimization. In this work, we propose a novel method to alleviate these problems that we call…

Machine Learning · Computer Science 2024-02-13 Lukas Muttenthaler , Robert A. Vandermeulen , Qiuyi Zhang , Thomas Unterthiner , Klaus-Robert Müller

Contextual optimization, also known as predict-then-optimize or prescriptive analytics, considers an optimization problem with the presence of covariates (context or side information). The goal is to learn a prediction model (from the…

Optimization and Control · Mathematics 2024-05-13 Chunlin Sun , Linyu Liu , Xiaocheng Li

Ant Colony Optimization (ACO) is a meta-heuristic algorithm that has been successfully applied to various Combinatorial Optimization Problems (COPs). Traditionally, customizing ACO for a specific problem requires the expert design of…

Neural and Evolutionary Computing · Computer Science 2023-11-07 Haoran Ye , Jiarui Wang , Zhiguang Cao , Helan Liang , Yong Li

Combinatorial optimization (CO) on graphs is a classic topic that has been extensively studied across many scientific and industrial fields. Recently, solving CO problems on graphs through learning methods has attracted great attention.…

Artificial Intelligence · Computer Science 2023-12-20 Ruibin Zeng , Minglong Lei , Lingfeng Niu , Lan Cheng

Current methods for end-to-end constructive neural combinatorial optimization usually train a policy using behavior cloning from expert solutions or policy gradient methods from reinforcement learning. While behavior cloning is…

Machine Learning · Computer Science 2024-11-05 Jonathan Pirnay , Dominik G. Grimm

Predicting future neural activity is a core challenge in modeling brain dynamics, with applications ranging from scientific investigation to closed-loop neurotechnology. While recent models of population activity emphasize interpretability…

Neurons and Cognition · Quantitative Biology 2026-02-11 Yu Duan , Hamza Tahir Chaudhry , Misha B. Ahrens , Christopher D Harvey , Matthew G Perich , Karl Deisseroth , Kanaka Rajan

Heatmap-based solvers have emerged as a promising paradigm for Combinatorial Optimization (CO). However, we argue that the dominant Supervised Learning (SL) training paradigm suffers from a fundamental objective mismatch: minimizing…

Machine Learning · Computer Science 2026-02-10 Hyungseok Song , Deunsol Yoon , Kanghoon Lee , Han-Seul Jeong , Soonyoung Lee , Woohyung Lim

Deep learning models have demonstrated exceptional performance across a wide range of computer vision tasks. However, their performance often degrades significantly when faced with distribution shifts, such as domain or dataset changes.…

Computer Vision and Pattern Recognition · Computer Science 2025-07-09 Samuel Barbeau , Pedram Fekri , David Osowiechi , Ali Bahri , Moslem Yazdanpanah , Masih Aminbeidokhti , Christian Desrosiers

Deep learning has been widely adopted for human activity recognition (HAR) while generalizing a trained model across diverse users and scenarios remains challenging due to distribution shifts. The inherent low-resource challenge in HAR,…

Computer Vision and Pattern Recognition · Computer Science 2024-12-31 Junyao Wang , Mohammad Abdullah Al Faruque

Along with AI computing shining in scientific discovery, its potential in the combinatorial optimization (CO) domain has also emerged in recent years. Yet, existing unsupervised neural network solvers struggle to solve $k$-grouping problems…

Machine Learning · Computer Science 2025-05-28 Sen Bai , Chunqi Yang , Xin Bai , Xin Zhang , Zhengang Jiang

Test-Time Adaptation (TTA) aims to mitigate distributional shifts between training and test domains during inference time. However, existing TTA methods fall short in the realistic scenario where models face both continually changing…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Yingkai Yang , Chaoqi Chen , Hui Huang

Test-Time Adaptation (TTA) methods are often computationally expensive, require a large amount of data for effective adaptation, or are brittle to hyperparameters. Based on a theoretical foundation of the geometry of the latent space, we…

Machine Learning · Computer Science 2026-05-12 Alexander Murphy , Michal Danilowski , Soumyajit Chatterjee , Abhirup Ghosh

Combinatorial optimization (CO) is the fundamental problem at the intersection of computer science, applied mathematics, etc. The inherent hardness in CO problems brings up challenge for solving CO exactly, making deep-neural-network-based…

Machine Learning · Computer Science 2024-10-02 Runzhong Wang , Yang Li , Junchi Yan , Xiaokang Yang

Time series anomaly detection is important in modern large-scale systems and is applied in a variety of domains to analyze and monitor the operation of diverse systems. Unsupervised approaches have received widespread interest, as they do…

Machine Learning · Computer Science 2025-10-23 Buang Zhang , Tung Kieu , Xiangfei Qiu , Chenjuan Guo , Jilin Hu , Aoying Zhou , Christian S. Jensen , Bin Yang

During language model decoding, it is known that using higher temperature sampling gives more creative responses, while lower temperatures are more factually accurate. However, such models are commonly applied to general instruction…

Computation and Language · Computer Science 2024-11-15 Shehzaad Dhuliawala , Ilia Kulikov , Ping Yu , Asli Celikyilmaz , Jason Weston , Sainbayar Sukhbaatar , Jack Lanchantin

Reinforcement learning has been widely applied to enhance the reasoning capabilities of large language models. Extending the inference limits of smaller models has become a prominent research focus. However, algorithms such as Group…

Artificial Intelligence · Computer Science 2025-10-10 Hao Wu , Wei Liu

The field of neural combinatorial optimization (NCO) trains neural policies to solve NP-hard problems such as the traveling salesperson problem (TSP). We ask whether, beyond producing good tours, a trained TSP solver learns internal…

Machine Learning · Computer Science 2026-02-10 Reuben Narad , Léonard Boussioux , Michael Wagner

While deep neural networks can attain good accuracy on in-distribution test points, many applications require robustness even in the face of unexpected perturbations in the input, changes in the domain, or other sources of distribution…

Machine Learning · Computer Science 2022-10-12 Marvin Zhang , Sergey Levine , Chelsea Finn