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Quantum chemical simulations can be greatly accelerated by constructing machine learning potentials, which is often done using active learning (AL). The usefulness of the constructed potentials is often limited by the high effort required…

Chemical Physics · Physics 2024-09-19 Yi-Fan Hou , Lina Zhang , Quanhao Zhang , Fuchun Ge , Pavlo O. Dral

In this study, the first-of-its-kind use of active learning (AL) framework in thermal spray is adapted to improve the prediction accuracy of the in-flight particle characteristics and uses Gaussian Process (GP) ML model as a surrogate that…

Reinforcement Learning (RL) has shown remarkable progress in simulation environments, yet its application to real-world robotic tasks remains limited due to challenges in exploration and generalization. To address these issues, we introduce…

Artificial Intelligence · Computer Science 2024-10-18 Amisha Bhaskar , Zahiruddin Mahammad , Sachin R Jadhav , Pratap Tokekar

Safe active learning (AL) is a sequential scheme for learning unknown systems while respecting safety constraints during data acquisition. Existing methods often rely on Gaussian processes (GPs) to model the task and safety constraints,…

Machine Learning · Computer Science 2026-04-07 Cen-You Li , Marc Toussaint , Barbara Rakitsch , Christoph Zimmer

Active learning (AL) has shown promise for being a particularly data-efficient machine learning approach. Yet, its performance depends on the application and it is not clear when AL practitioners can expect computational savings. Here, we…

Machine Learning · Computer Science 2024-08-22 Kunal Ghosh , Milica Todorović , Aki Vehtari , Patrick Rinke

Radio-Frequency Quadrupoles (RFQs) are multi-purpose linear particle accelerators that simultaneously bunch and accelerate charged particle beams. They are ubiquitous in accelerator physics, especially as injectors to higher-energy…

Computational Physics · Physics 2024-03-18 Joshua Villarreal , Daniel Winklehner , Daniel Koser , Janet Marie Conrad

In AI-generated image detection, current cutting-edge methods typically adapt pre-trained foundation models through partial-parameter fine-tuning. However, these approaches often struggle to generalize to forgeries from unseen generators,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Yiheng Li , Zichang Tan , Guoqing Xu , Zhen Lei , Xu Zhou , Yang Yang

Discovering novel materials can be greatly accelerated by iterative machine learning-informed proposal of candidates---active learning. However, standard \emph{global-scope error} metrics for model quality are not predictive of discovery…

Machine Learning · Statistics 2020-01-28 Zachary del Rosario , Matthias Rupp , Yoolhee Kim , Erin Antono , Julia Ling

Kernel-based machine learning regression algorithms (MLRAs) are potentially powerful methods for being implemented into operational biophysical variable retrieval schemes. However, they face difficulties in coping with large training…

Signal Processing · Electrical Eng. & Systems 2020-12-16 ochem Verrelst , Sara Dethier , Juan Pablo Rivera , Jordi Muñoz-Marí , Gustau Camps-Valls , José Moreno

Active feature acquisition (AFA) is an instance-adaptive paradigm in which, at inference time, a policy sequentially chooses which features to acquire (at a cost) before predicting. Existing approaches either train reinforcement learning…

Artificial Intelligence · Computer Science 2026-02-05 Hung-Tien Huang , Dzung Dinh , Junier B. Oliva

Computational Fluid Dynamics (CFD)-driven training combines machine learning (ML) with CFD solvers to develop physically consistent closure models with improved predictive accuracy. In the original framework, each ML-generated candidate…

Machine Learning · Computer Science 2025-12-23 Yuan Fang , Fabian Waschkowski , Maximilian Reissmann , Richard D. Sandberg , Takuo Oda , Koichi Tanimoto

Coordinating large populations of interacting agents is a central challenge in multi-agent reinforcement learning (MARL), where the size of the joint state-action space scales exponentially with the number of agents. Mean-field methods…

Machine Learning · Computer Science 2026-02-19 Emile Anand , Richard Hoffmann , Sarah Liaw , Adam Wierman

Identifying the optimal diagnostic test and hardware system instance to infer reliability characteristics using field data is challenging, especially when constrained by fixed budgets and minimal maintenance cycles. Active Learning (AL) has…

Applications · Statistics 2025-07-25 Michael Potter , Beyza Kalkanlı , Deniz Erdoğmuş , Michael Everett

Estimating the probability of failure for complex real-world systems using high-fidelity computational models is often prohibitively expensive, especially when the probability is small. Exploiting low-fidelity models can make this process…

Task-agnostic tabular foundation models such as TabPFN have achieved impressive performance on tabular learning tasks, yet the origins of their inductive biases remain poorly understood. In this work, we study TabPFN through the lens of…

Machine Learning · Computer Science 2025-11-25 Jianqiao Zheng , Cameron Gordon , Yiping Ji , Hemanth Saratchandran , Simon Lucey

Surrogate models - also called emulators - are widely used to facilitate Bayesian inference in settings where computational costs preclude the use of standard posterior inference algorithms. Their deployment is now standard practice across…

Methodology · Statistics 2026-03-17 Andrew Gerard Roberts , Michael C. Dietze , Jonathan H. Huggins

Inference from tabular data, collections of continuous and categorical variables organized into matrices, is a foundation for modern technology and science. Yet, in contrast to the explosive changes in the rest of AI, the best practice for…

Machine Learning · Computer Science 2026-04-07 Daniel Beaglehole , David Holzmüller , Adityanarayanan Radhakrishnan , Mikhail Belkin

In robot manipulation, Reinforcement Learning (RL) often suffers from low sample efficiency and uncertain convergence, especially in large observation and action spaces. Foundation Models (FMs) offer an alternative, demonstrating promise in…

Robotics · Computer Science 2025-04-18 Runyu Ma , Jelle Luijkx , Zlatan Ajanovic , Jens Kober

Recently, single-frame infrared small target (SIRST) detection with single point supervision has drawn wide-spread attention. However, the latest label evolution with single point supervision (LESPS) framework suffers from instability,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Chuang Yu , Jinmiao Zhao , Yunpeng Liu , Sicheng Zhao , Yimian Dai , Xiangyu Yue

Continued progress in inertial confinement fusion (ICF) requires solving inverse problems relating experimental observations to simulation input parameters, followed by design optimization. However, such high-dimensional dynamic…

Computational Physics · Physics 2026-01-06 Tyler E. Maltba , Ben S. Southworth , Jeffrey R. Haack , Marc L. Klasky