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Data science and informatics tools have been proliferating recently within the computational materials science and catalysis fields. This proliferation has spurned the creation of various frameworks for automated materials screening,…

Materials Science · Physics 2020-02-21 Kevin Tran , Willie Neiswanger , Junwoong Yoon , Qingyang Zhang , Eric Xing , Zachary W. Ulissi

Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…

Chemical Physics · Physics 2017-04-21 Gregor N. Simm , Jonny Proppe , Markus Reiher

In the domain of corporate credit rating, traditional deep learning methods have improved predictive accuracy but still suffer from the inherent 'black-box' problem and limited interpretability. While incorporating non-financial information…

Multiagent Systems · Computer Science 2025-10-28 Yumeng Shi , Zhongliang Yang , Yisi Wang , Linna Zhou

Multi-stage screening pipelines are ubiquitous throughout experimental and computational science. Much of the effort in developing screening pipelines focuses on improving generative methods or surrogate models in an attempt to make each…

Optimization and Control · Mathematics 2022-04-15 Kristofer G. Reyes , Jiaqian Liu , Carlos Juan Díaz Vargas

Scientific publications about machine learning in healthcare are often about implementing novel methods and boosting the performance - at least from a computer science perspective. However, beyond such often short-lived improvements, much…

In order to drive safely on the road, autonomous vehicle is expected to predict future outcomes of its surrounding environment and react properly. In fact, many researchers have been focused on solving behavioral prediction problems for…

Robotics · Computer Science 2020-11-12 Weihao Xuan , Ruijie Ren

Multi-Agent Systems (MAS) are adopted and tested with many complex and critical industrial applications, which are required to be adaptive, scalable, context-aware, and include real-time constraints. Industrial Control Networks (ICN) are…

Systems and Control · Computer Science 2015-06-18 Hosny A. Abbas , Samir I. Shaheen , Mohammed H. Amin

Complex scheduling problems require a large amount computation power and innovative solution methods. The objective of this paper is the conception and implementation of a multi-agent system that is applicable in various problem domains.…

Multiagent Systems · Computer Science 2020-04-21 Peter Hillmann , Tobias Uhlig , Gabi Dreo Rodosek , Oliver Rose

The goal of this thesis is to design a learning model predictive controller (LMPC) that allows multiple agents to race competitively on a predefined race track in real-time. This thesis addresses two major shortcomings in the already…

Machine Learning · Computer Science 2020-05-05 Lukas Brunke

Successful human-robot teaming will require robots to adapt autonomously to a human teammate's internal state, where a critical element of such adaptation is the ability to estimate the human's workload in unknown situations. Existing…

Robotics · Computer Science 2025-07-11 Josh Bhagat Smith , Julie A. Adams

Multi-agent artificial intelligence systems or MAS are systems of autonomous agents that exercise delegated tool authority, share persistent memory, and coordinate via inter-agent communication. MAS introduces qualitatively distinct…

Cryptography and Security · Computer Science 2026-04-28 Tam Nguyen , Moses Ndebugre , Dheeraj Arremsetty

In this paper we study the verification of parameterised multi-agent systems (MASs), and in particular the task of verifying whether unwanted states, characterised as a given state formula, are reachable in a given MAS, i.e., whether the…

Artificial Intelligence · Computer Science 2020-08-17 Paolo Felli , Alessandro Gianola , Marco Montali

Physics-based simulations and learning-based models are vital for complex robotics tasks like deformable object manipulation and liquid handling. However, these models often struggle with accuracy due to epistemic uncertainty or the…

Robotics · Computer Science 2025-07-29 Marco Faroni , Carlo Odesco , Andrea Zanchettin , Paolo Rocco

This review aims to draw attention to two issues of concern when we set out to make machine learning work in the chemical and materials domain, i.e., statistical loss function metrics for the validation and benchmarking of data-derived…

Chemical Physics · Physics 2021-01-26 Gaurav Vishwakarma , Aditya Sonpal , Johannes Hachmann

The construction industry is characterized by both high physical and psychological risks, yet supports of mental health remain limited. While advancements in artificial intelligence (AI), particularly large language models (LLMs), offer…

Human-Computer Interaction · Computer Science 2025-06-10 Fan Yang , Yuan Tian , Jiansong Zhang

Survival models are used in various fields, such as the development of cancer treatment protocols. Although many statistical and machine learning models have been proposed to achieve accurate survival predictions, little attention has been…

Machine Learning · Computer Science 2020-03-26 Hrushikesh Loya , Pranav Poduval , Deepak Anand , Neeraj Kumar , Amit Sethi

Large language model-based multi-agent systems have shown great abilities across various tasks due to the collaboration of expert agents, each focusing on a specific domain. However, the impact of clumsy or even malicious agents--those who…

Artificial Intelligence · Computer Science 2025-05-30 Jen-tse Huang , Jiaxu Zhou , Tailin Jin , Xuhui Zhou , Zixi Chen , Wenxuan Wang , Youliang Yuan , Michael R. Lyu , Maarten Sap

The key for effective interaction in many multiagent applications is to reason explicitly about the behaviour of other agents, in the form of a hypothesised behaviour. While there exist several methods for the construction of a behavioural…

Multiagent Systems · Computer Science 2019-07-04 Stefano V. Albrecht , S. Ramamoorthy

The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when…

Machine Learning · Computer Science 2022-12-06 Michael Dinitz , Sungjin Im , Thomas Lavastida , Benjamin Moseley , Sergei Vassilvitskii

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi
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