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AI tools and agents are reshaping how researchers work, from proving theorems to training neural networks. Yet for many, it remains unclear how these tools fit into everyday research practice. This paper is a practical guide to AI-assisted…

Machine Learning · Computer Science 2026-03-18 Max Zimmer , Nico Pelleriti , Christophe Roux , Sebastian Pokutta

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…

Computational Engineering, Finance, and Science · Computer Science 2025-02-20 Yuanyuan Xu , Hanchen Wang , Wenjie Zhang , Lexing Xie , Yin Chen , Flora Salim , Ying Zhang , Justin Gooding , Toby Walsh

Agentic AI represents a new paradigm for automating complex systems by using Large AI Models (LAMs) to provide human-level cognitive abilities with multimodal perception, planning, memory, and reasoning capabilities. This will lead to a new…

Artificial Intelligence · Computer Science 2025-11-05 Jorge Pellejero , Luis A. Hernández Gómez , Luis Mendo Tomás , Zoraida Frias Barroso

This paper explores the intersection of quantum computing and agentic AI by examining how quantum technologies can enhance the capabilities of autonomous agents, and, conversely, how agentic AI can support the advancement of quantum…

In recent years, advances in artificial intelligence (AI), particularly generative AI (GenAI) and large language models (LLMs), have made human-computer interactions more frequent, efficient, and accessible across sectors ranging from…

Computers and Society · Computer Science 2025-12-19 Przemek Pospieszny , Dominika P. Brodowicz

This study explores agentic AI's transformative role in product management, proposing a conceptual co-evolutionary framework to guide its integration across the product lifecycle. Agentic AI, characterized by autonomy, goal-driven behavior,…

Computational Engineering, Finance, and Science · Computer Science 2025-07-03 Nishant A. Parikh

Trust in AI agents has been extensively studied in the literature, resulting in significant advancements in our understanding of this field. However, the rapid advancements in Large Language Models (LLMs) and the emergence of LLM-based AI…

Artificial Intelligence · Computer Science 2023-08-11 Sivan Schwartz , Avi Yaeli , Segev Shlomov

This review critically distinguishes between AI Agents and Agentic AI, offering a structured, conceptual taxonomy, application mapping, and analysis of opportunities and challenges to clarify their divergent design philosophies and…

Artificial Intelligence · Computer Science 2025-10-01 Ranjan Sapkota , Konstantinos I. Roumeliotis , Manoj Karkee

The idea of Artificial Intelligence (AI) has a long history. It turned out, however, that reaching intelligence at human levels is more complicated than originally anticipated. Currently we are experiencing a renewed interest in AI, fueled…

Computers and Society · Computer Science 2019-06-27 Michael van Hartskamp , Sergio Consoli , Wim Verhaegh , Milan Petković , Anja van de Stolpe

In the pharmaceutical industry, the use of artificial intelligence (AI) has seen consistent growth over the past decade. This rise is attributed to major advancements in statistical machine learning methodologies, computational capabilities…

Methodology · Statistics 2023-12-01 Yuhan Li , Hongtao Zhang , Keaven Anderson , Songzi Li , Ruoqing Zhu

Artificial intelligence (AI) is accelerating progress in modeling T and B cell receptors by enabling predictive and generative frameworks grounded in sequence data and immune context. This chapter surveys recent advances in the use of…

Biomolecules · Quantitative Biology 2026-01-30 Linhui Xie , Aurelien Pelissier , Yanjun Shao , Maria Rodriguez Martinez

Agentic AI is shifting the cybersecurity landscape as attackers and defenders leverage AI agents to augment humans and automate common tasks. In this article, we examine the implications for cyber warfare and global politics as Agentic AI…

Computers and Society · Computer Science 2025-03-10 Sean Oesch , Jack Hutchins , Phillipe Austria , Amul Chaulagain

The primary goal of this study is to analyze agentic workflows in education according to the proposed four major technological paradigms: reflection, planning, tool use, and multi-agent collaboration. We critically examine the role of AI…

Artificial Intelligence · Computer Science 2026-01-27 Firuz Kamalov , David Santandreu Calonge , Linda Smail , Dilshod Azizov , Dimple R. Thadani , Theresa Kwong , Amara Atif

Quantum communication and quantum sensing, which leverage the unique characteristics of quantum systems, enable information-theoretically secure communication and high-precision measurement of physical quantities. However, they both face…

Quantum Physics · Physics 2025-11-13 Jiaxin Xu , Lechen Xu , Jingyang Liu , Huajian Ding , Qin Wang

This paper studies the impact of artificial intelligence on innovation, exploiting the randomized introduction of a new materials discovery technology to 1,018 scientists in the R&D lab of a large U.S. firm. AI-assisted researchers discover…

General Economics · Economics 2025-05-21 Aidan Toner-Rodgers

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

After a very long winter, the Artificial Intelligence (AI) spring is here. Or, so it seems over the last three years. AI has the potential to impact many areas of human life - personal, social, health, education, professional. In this…

Artificial Intelligence · Computer Science 2025-07-01 Arpit Narechania , Alex Endert , Atanu R Sinha

Foundation models have reshaped AI by unifying fragmented architectures into scalable backbones with multimodal reasoning and contextual adaptation. In parallel, the long-standing notion of AI agents, defined by the sensing-decision-action…

Machine Learning · Computer Science 2025-10-02 Sicong Liu , Weiye Wu , Xiangrui Xu , Teng Li , Bowen Pang , Bin Guo , Zhiwen Yu

AI and machine learning based approaches are becoming ubiquitous in almost all engineering fields. Control engineering cannot escape this trend. In this paper, we explore how AI tools can be useful in control applications. The core tool we…

Optimization and Control · Mathematics 2023-06-12 Ion Matei , Raj Minhas , Johan de Kleer , Alexander Felman
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