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It is not an exaggeration to say that the recent progress in artificial intelligence technology depends on large-scale and high-quality data. Simultaneously, a prevalent issue exists everywhere: the budget for data labeling is constrained.…

Machine Learning · Computer Science 2023-08-22 Yujin Hwang , Won Jo , Juyoung Hong , Yukyung Choi

The human intrinsic desire to pursue knowledge, also known as curiosity, is considered essential in the process of skill acquisition. With the aid of artificial curiosity, we could equip current techniques for control, such as Reinforcement…

Machine Learning · Computer Science 2022-02-24 Pietro Mazzaglia , Ozan Catal , Tim Verbelen , Bart Dhoedt

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…

A community of researchers appears to think that a machine can be surprised and have introduced various surprise measures, principally the Shannon Surprise and the Bayesian Surprise. The questions of what constitutes a surprise and how to…

Machine Learning · Computer Science 2026-04-15 Yinsong Wang , Quan Zeng , Xiao Liu , Yu Ding

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

Surprise-based learning allows agents to rapidly adapt to non-stationary stochastic environments characterized by sudden changes. We show that exact Bayesian inference in a hierarchical model gives rise to a surprise-modulated trade-off…

Machine Learning · Statistics 2020-09-25 Vasiliki Liakoni , Alireza Modirshanechi , Wulfram Gerstner , Johanni Brea

The promise of autonomous scientific discovery (ASD) hinges not only on answering questions, but also on knowing which questions to ask. Most recent works in ASD explore the use of large language models (LLMs) in goal-driven settings,…

An autonomous experimentation platform in manufacturing is supposedly capable of conducting a sequential search for finding suitable manufacturing conditions by itself or even for discovering new materials with minimal human intervention.…

Machine Learning · Computer Science 2024-10-03 Imtiaz Ahmed , Satish Bukkapatnam , Bhaskar Botcha , Yu Ding

Scientific Artificial Intelligence (AI) applications require models that deliver trustworthy uncertainty estimates while respecting domain constraints. Existing uncertainty quantification methods lack mechanisms to incorporate symbolic…

Machine Learning · Computer Science 2026-01-21 Shahnawaz Alam , Mohammed Mudassir Uddin , Mohammed Kaif Pasha

A clustered adaptive intervention (cAI) is a pre-specified sequence of decision rules that guides practitioners on how best - and based on which measures - to tailor cluster-level intervention to improve outcomes at the level of individuals…

Methodology · Statistics 2025-05-05 Yao Song , Kelly Speth , Amy Kilbourne , Andrew Quanbeck , Daniel Almirall , Lu Wang

Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…

Materials Science · Physics 2024-02-27 Andrew Novick , Diana Cai , Quan Nguyen , Roman Garnett , Ryan Adams , Eric Toberer

Regression is a fundamental prediction task common in data-centric engineering applications that involves learning mappings between continuous variables. In many engineering applications (e.g.\ structural health monitoring), feature-label…

Many engineering and scientific workflows rely on expensive black-box evaluations, requiring sequential decisions that must both improve task performance and reduce uncertainty. Bayesian optimization (BO) and Bayesian experimental design…

Machine Learning · Computer Science 2026-05-14 Yingke Li , Anjali Parashar , Enlu Zhou , Chuchu Fan

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

Surprise describes a range of phenomena from unexpected events to behavioral responses. We propose a measure of surprise and use it for surprise-driven learning. Our surprise measure takes into account data likelihood as well as the degree…

Machine Learning · Statistics 2017-03-03 Mohammadjavad Faraji , Kerstin Preuschoff , Wulfram Gerstner

Metal Additive Manufacturing (MAM) has reshaped the manufacturing industry, offering benefits like intricate design, minimal waste, rapid prototyping, material versatility, and customized solutions. However, its full industry adoption faces…

Machine Learning · Computer Science 2024-01-12 Ahmed Shoyeb Raihan , Hamed Khosravi , Tanveer Hossain Bhuiyan , Imtiaz Ahmed

Computerized Adaptive Testing (CAT) offers an efficient and personalized method for assessing examinee proficiency by dynamically adjusting test questions based on individual performance. Compared to traditional, non-personalized testing…

Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to guide his discovery of celestial mechanics [1]. In this work…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Despite the remarkable capabilities of large language models, current training paradigms inadvertently foster \textit{sycophancy}, i.e., the tendency of a model to agree with or reinforce user-provided information even when it's factually…

Artificial Intelligence · Computer Science 2025-09-23 Mohammad Beigi , Ying Shen , Parshin Shojaee , Qifan Wang , Zichao Wang , Chandan Reddy , Ming Jin , Lifu Huang
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