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Related papers: Autonomous discovery in the chemical sciences part…

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There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these…

The rapid advancement of artificial intelligence (AI) has demonstrated substantial potential in chemical engineering, yet existing AI systems remain limited in interdisciplinary collaboration and exploration of uncharted problems. To…

Artificial Intelligence · Computer Science 2025-10-03 Zekun Jiang , Chunming Xu , Tianhang Zhou

Process automation is a crucial strategy for improving business processes, but little attention has been paid to the effects that automation has once it is operational. This paper addresses this research problem by reviewing the literature…

Software Engineering · Computer Science 2025-07-15 Hoang Vu , Jennifer Haase , Henrik Leopold , Jan Mendling

Despite the recent successes in robotics, artificial intelligence and computer vision, a complete artificial agent necessarily must include active perception. A multitude of ideas and methods for how to accomplish this have already appeared…

Computer Vision and Pattern Recognition · Computer Science 2016-03-15 Ruzena Bajcsy , Yiannis Aloimonos , John K. Tsotsos

Chemistry laboratory automation aims to increase throughput, reproducibility, and safety, yet many existing systems still depend on frequent human intervention. Advances in robotics have reduced this dependency, but without a structured…

The ability to invent new tools has been identified as an important facet of our ability as a species to problem solve in dynamic and novel environments. While the use of tools by artificial agents presents a challenging task and has been…

Artificial Intelligence · Computer Science 2023-11-08 Poppy Collis , Paul F Kinghorn , Christopher L Buckley

Due to recent advances - compute, data, models - the role of learning in autonomous systems has expanded significantly, rendering new applications possible for the first time. While some of the most significant benefits are obtained in the…

Machine Learning · Statistics 2018-06-18 Markus Wulfmeier

The increasing complexity and unpredictability of many ICT scenarios let us envision that future systems will have to dynamically learn how to act and adapt to face evolving situations with little or no a priori knowledge, both at the level…

Artificial Intelligence · Computer Science 2021-10-05 Marco Lippi , Stefano Mariani , Matteo Martinelli , Franco Zambonelli

We describe a chemical robotic assistant equipped with a curiosity algorithm (CA) that can efficiently explore the state a complex chemical system can exhibit. The CA-robot is designed to explore formulations in an open-ended way with no…

Soft Condensed Matter · Physics 2019-04-30 Jonathan Grizou , Laurie J. Points , Abhishek Sharma , Leroy Cronin

A study of assisted problem solving formalized via decompositions of deterministic finite automata is initiated. The landscape of new types of decompositions of finite automata this study uncovered is presented. Languages with various…

Computational Complexity · Computer Science 2007-07-04 Peter Gaži , Branislav Rovan

The rapid advancement of large language models (LLMs) has driven the development of agentic systems capable of autonomously performing complex tasks. Despite their impressive capabilities, LLMs remain constrained by their internal knowledge…

Information Retrieval · Computer Science 2025-08-19 Wenlin Zhang , Xiaopeng Li , Yingyi Zhang , Pengyue Jia , Yichao Wang , Huifeng Guo , Yong Liu , Xiangyu Zhao

How useful can machine learning be in a quantum laboratory? Here we raise the question of the potential of intelligent machines in the context of scientific research. A major motivation for the present work is the unknown reachability of…

Model-Driven Engineering (MDE) provides a huge body of knowledge of automation for many different engineering tasks, especially those involving transitioning from design to implementation. With the huge progress made in Artificial…

Software Engineering · Computer Science 2025-02-11 Lola Burgueño , Davide Di Ruscio , Houari Sahraoui , Manuel Wimmer

Advanced communication protocols are critical to enable the coexistence of autonomous robots with humans. Thus, the development of explanatory capabilities is an urgent first step toward autonomous robots. This survey provides an overview…

Artificial Intelligence · Computer Science 2021-05-07 Tatsuya Sakai , Takayuki Nagai

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

As the potential for autonomous vehicles to be integrated on a large scale into modern traffic systems continues to grow, ensuring safe navigation in dynamic environments is crucial for smooth integration. To guarantee safety and prevent…

A computational revolution unleashed the power of artificial neural networks. At the heart of that revolution is automatic differentiation, which calculates the derivative of a performance measure relative to a large number of parameters.…

Quantitative Methods · Quantitative Biology 2023-12-27 Steven A. Frank

Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive,…

Computation and Language · Computer Science 2025-04-04 Pengsong Zhang , Heng Zhang , Huazhe Xu , Renjun Xu , Zhenting Wang , Cong Wang , Animesh Garg , Zhibin Li , Arash Ajoudani , Xinyu Liu

Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous…

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…