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Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on…

Machine Learning · Computer Science 2024-03-11 Tennison Liu , Nicolás Astorga , Nabeel Seedat , Mihaela van der Schaar

Large language models have enabled automated algorithm design (AAD) by generating optimization algorithms directly from natural-language prompts. While evolutionary frameworks such as LLaMEA demonstrate strong exploratory capabilities…

Artificial Intelligence · Computer Science 2026-01-30 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

In low- and middle-income countries (LMICs), a significant proportion of medical diagnostic equipment remains underutilized or non-functional due to a lack of timely maintenance, limited access to technical expertise, and minimal support…

Optimism for accelerating scientific discovery with AI continues to grow. Current applications of AI in scientific research range from training dedicated foundation models on scientific data to agentic autonomous hypothesis generation…

High Energy Physics (HEP) experiments like BESIII produce petabyte-scale data. Extracting physics results requires complex workflows (simulation, reconstruction, statistical analysis, etc.) that traditionally take experts months or years.…

Artificial Intelligence (AI) and large language models (LLMs) are increasingly used in social and psychological research. Among potential applications, LLMs can be used to generate, customise, or adapt measurement instruments. This study…

Human-Computer Interaction · Computer Science 2026-02-16 Mario Angelelli , Morena Oliva , Serena Arima , Enrico Ciavolino

Autonomous scientific research, capable of independently conducting complex experiments and serving non-specialists, represents a long-held aspiration. Achieving it requires a fundamental paradigm shift driven by artificial intelligence…

Artificial Intelligence · Computer Science 2025-07-04 Mingyu Wu , Zhaoguo Wang , Jiabin Wang , Zhiyuan Dong , Jingkai Yang , Qingting Li , Tianyu Huang , Lei Zhao , Mingqiang Li , Fei Wang , Chunhai Fan , Haibo Chen

Configuring the parameters of additive manufacturing processes for metal alloys is a challenging problem due to complex relationships between input parameters (e.g., laser power, scan speed) and quality of printed outputs. The standard…

Artificial Intelligence · Computer Science 2026-01-27 Azza Fadhel , Nathaniel W. Zuckschwerdt , Aryan Deshwal , Susmita Bose , Amit Bandyopadhyay , Jana Doppa

In software engineering, the meticulous configuration of software tools is crucial in ensuring optimal performance within intricate systems. However, the complexity inherent in selecting optimal configurations is exacerbated by the…

Software Engineering · Computer Science 2023-12-12 Jai Kannan

Embodied AI systems, including AI-powered robots that autonomously interact with the physical world, stand to be significantly advanced by Large Language Models (LLMs), which enable robots to better understand complex language commands and…

Robotics · Computer Science 2024-09-04 Wenxiao Zhang , Xiangrui Kong , Thomas Braunl , Jin B. Hong

With rapid advances in code generation, reasoning, and problem-solving, Large Language Models (LLMs) are increasingly applied in robotics. Most existing work focuses on high-level tasks such as task decomposition. A few studies have…

Robotics · Computer Science 2025-07-29 Zhongchao Zhou , Yuxi Lu , Yaonan Zhu , Yifan Zhao , Bin He , Liang He , Wenwen Yu , Yusuke Iwasawa

Large language models have emerged as a promising approach towards achieving general-purpose AI agents. The thriving open-source LLM community has greatly accelerated the development of agents that support human-machine dialogue interaction…

Computer Vision and Pattern Recognition · Computer Science 2023-11-07 Zhenfei Yin , Jiong Wang , Jianjian Cao , Zhelun Shi , Dingning Liu , Mukai Li , Lu Sheng , Lei Bai , Xiaoshui Huang , Zhiyong Wang , Jing Shao , Wanli Ouyang

Optics is foundational to research in many areas of science and engineering, including nanophotonics, quantum information, materials science, biomedical imaging, and metrology. However, the design, assembly, and alignment of optical…

Data-driven operations management often relies on parameters estimated from costly human-generated labels. Recent advances in large language models (LLMs) and other AI systems offer inexpensive auxiliary data, but introduce a new challenge:…

Machine Learning · Computer Science 2026-04-17 Cheng Lu , Mengxin Wang , Dennis J. Zhang , Heng Zhang

The development of robust and generalizable robot learning models is critically contingent upon the availability of large-scale, diverse training data and reliable evaluation benchmarks. Collecting data in the physical world poses…

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a…

Graphics · Computer Science 2026-01-09 Prashant Govindarajan , Davide Baldelli , Jay Pathak , Quentin Fournier , Sarath Chandar

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations;…

The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand…

Automated code instrumentation, i.e. the insertion of measurement hooks into a target application by the compiler, is an established technique for collecting reliable, fine-grained performance data. The set of functions to instrument has to…

Performance · Computer Science 2023-03-21 Sebastian Kreutzer , Christian Iwainsky , Marta Garcia-Gasulla , Victor Lopez , Christian Bischof

We have developed Aitomia - a platform powered by AI to assist in performing AI-driven atomistic and quantum chemical (QC) simulations. This evolving intelligent assistant platform is equipped with chatbots and AI agents to help experts and…

Computational Physics · Physics 2026-03-17 Jinming Hu , Hassan Nawaz , Yi-Fan Hou , Yuting Rui , Lijie Chi , Yuxinxin Chen , Arif Ullah , Pavlo O. Dral