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Automated Feature Engineering (AFE) refers to automatically generate and select optimal feature sets for downstream tasks, which has achieved great success in real-world applications. Current AFE methods mainly focus on improving the…

Machine Learning · Computer Science 2022-12-27 Kafeng Wang , Pengyang Wang , Chengzhong xu

Artificial intelligence has accelerated materials discovery through high-throughput prediction and generation, yet the decision problem remains a formidable bottleneck. While current AI systems readily propose millions of candidates,…

Software testing remains critical for ensuring reliability, yet traditional approaches are slow, costly, and prone to gaps in coverage. This paper presents an AI-driven framework that automates test case generation and validation using…

Software Engineering · Computer Science 2025-08-25 Saba Naqvi , Mohammad Baqar

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

Most federated learning (FL) approaches assume a fixed device set. However, real-world scenarios often involve devices dynamically joining or leaving the system, driven by, e.g., user mobility patterns or handovers across cell boundaries.…

Machine Learning · Computer Science 2025-12-30 Zhan-Lun Chang , Dong-Jun Han , Seyyedali Hosseinalipour , Mung Chiang , Christopher G. Brinton

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

The development of complex functional materials poses a multi-objective optimization problem in a large multidimensional parameter space. Solving it requires reproducible, user independent laboratory work and intelligent preselection of…

Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner as decades ago. That is, each study tends to focus on only a…

This paper addresses the problem of learning optimal control policies for systems with uncertain dynamics and high-level control objectives specified as Linear Temporal Logic (LTL) formulas. Uncertainty is considered in the workspace…

Robotics · Computer Science 2024-10-17 Yiannis Kantaros , Jun Wang

Reinforcement Learning and, recently, Deep Reinforcement Learning are popular methods for solving sequential decision-making problems modeled as Markov Decision Processes. RL modeling of a problem and selecting algorithms and…

Machine Learning · Computer Science 2026-03-10 Reza Refaei Afshar , Joaquin Vanschoren , Uzay Kaymak , Rui Zhang , Yaoxin Wu , Wen Song , Yingqian Zhang

Conventional machine learning (ML) relies heavily on manual design from machine learning experts to decide learning tasks, data, models, optimization algorithms, and evaluation metrics, which is labor-intensive, time-consuming, and cannot…

Machine Learning · Computer Science 2022-01-11 Wenwu Zhu , Xin Wang , Pengtao Xie

A key feature of mechanical structures ranging from crumple zones in cars to padding in packaging is their ability to provide protection by absorbing mechanical energy. Designing structures to efficiently meet these needs has profound…

Deep learning (DL) techniques have gained significant popularity among software engineering (SE) researchers in recent years. This is because they can often solve many SE challenges without enormous manual feature engineering effort and…

Software Engineering · Computer Science 2024-12-10 Chao Liu , Cuiyun Gao , Xin Xia , David Lo , John Grundy , Xiaohu Yang

High-dimensional measurements are often correlated which motivates their approximation by factor models. This holds also true when features are engineered via low-dimensional interactions or kernel tricks. This often results in over…

Applications · Statistics 2025-09-03 Xiaonan Zhu , Bingyan Wang , Jianqing Fan

Connected and Automated Vehicles (CAVs) are one of the emerging technologies in the automotive domain that has the potential to alleviate the issues of accidents, traffic congestion, and pollutant emissions, leading to a safe, efficient,…

Machine Learning · Computer Science 2023-03-21 Vishnu Pandi Chellapandi , Liangqi Yuan , Stanislaw H /. Zak , Ziran Wang

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

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

A ''technology lottery'' describes a research idea or technology succeeding over others because it is suited to the available software and hardware, not necessarily because it is superior to alternative directions--examples abound, from the…

Artificial Intelligence · Computer Science 2022-11-10 Erik Peterson , Alexander Lavin

Deep learning (DL) has proven to be a highly effective approach for developing models in diverse contexts, including visual perception, speech recognition, and machine translation. However, the end-to-end process for applying DL is not…

Machine Learning · Computer Science 2022-05-18 Xuanyi Dong , David Jacob Kedziora , Katarzyna Musial , Bogdan Gabrys
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