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Engineering knowledge-based (or expert) systems require extensive manual effort and domain knowledge. As Large Language Models (LLMs) are trained using an enormous amount of cross-domain knowledge, it becomes possible to automate such…

Computation and Language · Computer Science 2023-07-25 Yun Tang , Antonio A. Bruto da Costa , Jason Zhang , Irvine Patrick , Siddartha Khastgir , Paul Jennings

Artificial intelligence (AI) has been increasingly applied in scientific activities for decades; however, it is still far from an insightful and trustworthy collaborator in the scientific process. Most existing AI methods are either too…

Artificial Intelligence · Computer Science 2022-02-08 Morad Behandish , John Maxwell , Johan de Kleer

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Modern experimental platforms such as particle accelerators, fusion devices, telescopes, and industrial process control systems expose tens to hundreds of thousands of control and diagnostic channels accumulated over decades of evolution.…

Computation and Language · Computer Science 2025-12-23 Thorsten Hellert , Nikolay Agladze , Alex Giovannone , Jan Jug , Frank Mayet , Mark Sherwin , Antonin Sulc , Chris Tennant

Inspired by recent and revolutionary developments in AI, particularly in language understanding and generation, we set about designing AI systems that are able to address complex scientific tasks that challenge human capabilities to make…

Computation and Language · Computer Science 2022-11-01 José Manuel Gómez-Pérez

Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol…

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Remarkable success of modern image-based AI methods and the resulting interest in their applications in critical decision-making processes has led to a surge in efforts to make such intelligent systems transparent and explainable. The need…

Artificial Intelligence · Computer Science 2020-11-30 Adriano Lucieri , Muhammad Naseer Bajwa , Andreas Dengel , Sheraz Ahmed

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

Large language models (LLMs) offer significant potential to accelerate systematic literature reviews (SLRs), yet current approaches often rely on brittle, manually crafted prompts that compromise reliability and reproducibility. This…

Computation and Language · Computer Science 2025-09-03 Teo Susnjak

Developing Piping and Instrumentation Diagrams (P&IDs) is a crucial step during the development of chemical processes. Currently, this is a tedious, manual, and time-consuming task. We propose a novel, completely data-driven method for the…

Computation and Language · Computer Science 2024-01-17 Edwin Hirtreiter , Lukas Schulze Balhorn , Artur M. Schweidtmann

The control of complex laboratory instrumentation often requires significant programming expertise, creating a barrier for researchers lacking computational skills. This work explores the potential of large language models (LLMs), such as…

Artificial Intelligence · Computer Science 2026-04-07 Yong Xie , Kexin He , Andres Castellanos-Gomez

AI and Law research has encountered legal interpretation in different ways, in the context of its evolving approaches and methodologies. Research on expert system has focused on legal knowledge engineering, with the goal of ensuring that…

Artificial Intelligence · Computer Science 2026-03-06 Václav Janeček , Giovanni Sartor

Artificial Intelligence models are becoming increasingly more powerful and accurate, supporting or even replacing humans' decision making. But with increased power and accuracy also comes higher complexity, making it hard for users to…

Artificial Intelligence · Computer Science 2019-07-10 Vivian S. Silva , André Freitas , Siegfried Handschuh

With the availability of large databases and recent improvements in deep learning methodology, the performance of AI systems is reaching or even exceeding the human level on an increasing number of complex tasks. Impressive examples of this…

Artificial Intelligence · Computer Science 2017-08-29 Wojciech Samek , Thomas Wiegand , Klaus-Robert Müller

Expert-layman text style transfer technologies have the potential to improve communication between members of scientific communities and the general public. High-quality information produced by experts is often filled with difficult jargon…

Computation and Language · Computer Science 2021-12-21 Wenda Xu , Michael Saxon , Misha Sra , William Yang Wang