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In the near future, autonomous space systems will compose many of the deployed spacecraft. Their tasks will involve autonomous rendezvous and proximity operations with large structures, such as inspections, assembly, and maintenance of…

We aim at designing language agents with greater autonomy for crystal materials discovery. While most of existing studies restrict the agents to perform specific tasks within predefined workflows, we aim to automate workflow planning given…

Artificial Intelligence · Computer Science 2025-06-10 Lianhao Zhou , Hongyi Ling , Keqiang Yan , Kaiji Zhao , Xiaoning Qian , Raymundo Arróyave , Xiaofeng Qian , Shuiwang Ji

We present Claw AI Lab, a lab-native autonomous research platform that advances automated research from a hidden prompt-to-paper pipeline into an interactive AI laboratory. Rather than centering the system around a single agent or a fixed…

Artificial Intelligence · Computer Science 2026-05-22 Fan Wu , Cheng Chen , Zhenshan Tan , Taiyu Zhang , Xinzhen Xu , Yanyu Qian , Dingcheng Gao , Lanyun Zhu , Qi Zhu , Yi Tan , Deyi Ji , Guosheng Lin , Tianrun Chen , Deheng Ye , Fayao Liu

Many production lines require active control mechanisms, such as adaptive routing, worker reallocation, and rescheduling, to maintain optimal performance. However, designing these control systems is challenging for various reasons, and…

Machine Learning · Computer Science 2025-05-13 Kai Müller , Martin Wenzel , Tobias Windisch

This review explores the potential of foundation models to advance laboratory automation in the materials and chemical sciences. It emphasizes the dual roles of these models: cognitive functions for experimental planning and data analysis,…

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

We present AlphaLab, an autonomous research harness that leverages frontier LLM agentic capabilities to automate the full experimental cycle in quantitative, computation-intensive domains. Given only a dataset and a natural-language…

Large language models (LLMs) often have a fixed knowledge cutoff, limiting their accuracy on emerging information. We present ALAS (Autonomous Learning Agent System), a modular pipeline that continuously updates an LLM's knowledge with…

Computation and Language · Computer Science 2025-08-25 Dhruv Atreja

We introduce NebulOS, a Big Data platform that allows a cluster of Linux machines to be treated as a single computer. With NebulOS, the process of writing a massively parallel program for a datacenter is no more complicated than writing a…

Instrumentation and Methods for Astrophysics · Physics 2016-09-15 Nathaniel R. Stickley , Miguel A. Aragon-Calvo

$\textit{A priori}$ prediction of phase stability of materials is a challenging practice, requiring knowledge of all energetically-competing structures at formation conditions. Large materials repositories $\unicode{x2014}$ housing…

Large Language Models (LLMs) demonstrate strong potential for automated code generation, yet their ability to iteratively refine solutions using execution feedback remains underexplored. Competitive programming offers an ideal testbed for…

Software Engineering · Computer Science 2026-05-19 Anika Tabassum , Md Sifat Hossain , Md. Fahim Arefin , Tariqul Islam , Tarannum Shaila Zaman

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…

Automation can transform productivity in research activities that use liquid handling, such as organic synthesis, but it has made less impact in materials laboratories, which require sample preparation steps and a range of solid-state…

Experimental science is enabled by the combination of synthesis, imaging, and functional characterization. Synthesis of a new material is typically followed by a set of characterization methods aiming to provide feedback for optimization or…

In order to deploy machine learning in a real-world self-driving laboratory where data acquisition is costly and there are multiple competing design criteria, systems need to be able to intelligently sample while balancing performance…

Machine Learning · Computer Science 2023-04-18 Tyler H. Chang , Jakob R. Elias , Stefan M. Wild , Santanu Chaudhuri , Joseph A. Libera

Large language models (LLMs) present intriguing opportunities to enhance user interaction with traditional algorithms and tools in real-world applications. An advanced planning system (APS) is a sophisticated software that leverages…

Artificial Intelligence · Computer Science 2025-07-25 Timothy Tin Long Yu , Mahdi Mostajabdaveh , Jabo Serge Byusa , Rindra Ramamonjison , Giuseppe Carenini , Kun Mao , Zirui Zhou , Yong Zhang

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

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, computational modeling, and optimization. Central to this…

Large Action Models (LAMs) extend large language models by enabling autonomous decision-making and tool execution, making them promising for automating scientific workflows. However, scientific workflows impose strict requirements on…

Software Engineering · Computer Science 2026-01-16 Suriya Sureshkumar

Agentic workflows in large language model systems integrate retrieval, reasoning, and memory, but existing frameworks suffer from scalability and reproducibility limitations due to fragmented data orchestration, serialization overhead, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-05 Arup Kumar Sarker , Mills Staylor , Aymen Alsaadi , Gregor von Laszewski , Shantenu Jha , Geoffrey Fox