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Autonomous experimentation holds the potential to accelerate materials development by combining artificial intelligence (AI) with modular robotic platforms to explore extensive combinatorial chemical and processing spaces. Such self-driving…

Autoencoder (AE) is a neural network (NN) architecture that is trained to reconstruct an input at its output. By measuring the reconstruction errors of new input samples, AE can detect anomalous samples deviated from the trained data…

Machine Learning · Computer Science 2023-02-16 Jinho Choi , Jihong Park , Abhinav Japesh , Adarsh

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

Efficient exploration is a long-standing problem in reinforcement learning since extrinsic rewards are usually sparse or missing. A popular solution to this issue is to feed an agent with novelty signals as intrinsic rewards. In this work,…

Machine Learning · Computer Science 2022-05-20 Jianren Wang , Ziwen Zhuang , Hang Zhao

As foundation models grow rapidly in capability and deployment, evaluating their scientific understanding becomes increasingly critical. Existing science benchmarks have made progress towards broad Range, wide Reach, and high Rigor, yet…

Computation and Language · Computer Science 2025-10-01 Junying Wang , Zicheng Zhang , Yijin Guo , Farong Wen , Ye Shen , Yingji Liang , Yalun Wu , Wenzhe Li , Chunyi Li , Zijian Chen , Qi Jia , Guangtao Zhai

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

Computers and Society · Computer Science 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

Despite numerous studies of deep autoencoders (AEs) for unsupervised anomaly detection, AEs still lack a way to express uncertainty in their predictions, crucial for ensuring safe and trustworthy machine learning systems in high-stake…

Machine Learning · Computer Science 2022-02-28 Bang Xiang Yong , Alexandra Brintrup

We develop a framework for goal-oriented optimal design of experiments (GOODE) for large-scale Bayesian linear inverse problems governed by PDEs. This framework differs from classical Bayesian optimal design of experiments (ODE) in the…

Computational Engineering, Finance, and Science · Computer Science 2018-08-15 Ahmed Attia , Alen Alexanderian , Arvind K. Saibaba

Current large-scale astrophysical experiments produce unprecedented amounts of rich and diverse data. This creates a growing need for fast and flexible automated data inspection methods. Deep learning algorithms can capture and pick up…

Instrumentation and Methods for Astrophysics · Physics 2023-08-03 Vanessa Böhm , Alex G. Kim , Stéphanie Juneau

Traditional methods for determining critical parameters are often influenced by human factors. This research introduces a physics-inspired adaptive reinforcement learning framework that enables agents to autonomously interact with physical…

Statistical Mechanics · Physics 2026-01-12 Hai Man , Chaobo Wang , Jia-Rui Li , Yuping Tian , Shu-Gang Chen

Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian…

Machine Learning · Computer Science 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

The evolution of Intelligent Transportation System in recent times necessitates the development of self-driving agents: the self-awareness consciousness. This paper aims to introduce a novel method to detect abnormalities based on internal…

Machine Learning · Computer Science 2020-10-29 Divya Kanapram , Pablo Marin-Plaza , Lucio Marcenaro , David Martin , Arturo de la Escalera , Carlo Regazzoni

Existing methods for anomaly detection often fall short due to their inability to handle the complexity, heterogeneity, and high dimensionality inherent in real-world mobility data. In this paper, we propose DeepBayesic, a novel framework…

Machine Learning · Computer Science 2024-10-07 Minxuan Duan , Yinlong Qian , Lingyi Zhao , Zihao Zhou , Zeeshan Rasheed , Rose Yu , Khurram Shafique

The landscape of science and technology is characterized by its dynamic and evolving nature, constantly reshaped by new discoveries, innovations, and paradigm shifts. Moreover, science is undergoing a remarkable shift towards increasing…

Information Retrieval · Computer Science 2025-12-22 Ashkan Ebadi , Alain Auger , Yvan Gauthier

Extreme weather events pose escalating risks to global society, underscoring the urgent need to unravel their underlying physical mechanisms. Yet the prevailing expert-driven, labor-intensive diagnostic paradigm has created a critical…

Artificial Intelligence · Computer Science 2025-11-27 Zhe Jiang , Jiong Wang , Xiaoyu Yue , Zijie Guo , Wenlong Zhang , Fenghua Ling , Wanli Ouyang , Lei Bai

Adaptive interventions (AIs) are increasingly becoming popular in medical and behavioral sciences. An AI is a sequence of individualized intervention options that specify for whom and under what conditions different intervention options…

Applications · Statistics 2018-12-18 Palash Ghosh , Inbal Nahum-Shani , Bonnie Spring , Bibhas Chakraborty

For real-world applications, autonomous mobile robotic platforms must be capable of navigating safely in a multitude of different and dynamic environments with accurate and robust localization being a key prerequisite. To support further…

Reconstruction-based approaches to anomaly detection tend to fall short when applied to complex datasets with target classes that possess high inter-class variance. Similar to the idea of self-taught learning used in transfer learning, many…

Machine Learning · Computer Science 2021-11-16 Muhammad S. Battikh , Artem A. Lenskiy

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

Machine Learning · Computer Science 2023-06-28 Moksh Jain , Tristan Deleu , Jason Hartford , Cheng-Hao Liu , Alex Hernandez-Garcia , Yoshua Bengio