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As chemical plants evolve towards full autonomy, the need for effective fault handling and control in dynamic, unpredictable environments becomes increasingly critical. This paper proposes an innovative approach to industrial automation,…

Multiagent Systems · Computer Science 2026-02-11 Javal Vyas , Mehmet Mercangöz

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

This research reports on the recent development of a black-box optimization method based on single-step deep reinforcement learning (DRL), and on its conceptual proximity to evolution strategy (ES) techniques. In the fashion of policy…

Optimization and Control · Mathematics 2021-11-29 Jonathan Viquerat , Régis Duvigneau , Philippe Meliga , Alexander Kuhnle , Elie Hachem

Large language models (LLMs) offer new opportunities for interacting with complex software artifacts, such as software models, through natural language. They present especially promising benefits for large software models that are difficult…

Software Engineering · Computer Science 2025-06-17 Lukasz Mazur , Nenad Petrovic , James Pontes Miranda , Ansgar Radermacher , Robert Rasche , Alois Knoll

Capturing and simulating intelligent adaptive behaviours within spatially explicit individual-based models remains an ongoing challenge for researchers. While an ever-increasing abundance of real-world behavioural data are collected, few…

Multiagent Systems · Computer Science 2022-01-05 Sedar Olmez , Dan Birks , Alison Heppenstall

Variational Autoencoder based Bayesian Optimization (VAE-BO) has demonstrated its excellent performance in addressing high-dimensional structured optimization problems. However, current mainstream methods overlook the potential of utilizing…

Machine Learning · Computer Science 2023-12-29 Taicai Chen , Yue Duan , Dong Li , Lei Qi , Yinghuan Shi , Yang Gao

Black-box tuning is an emerging paradigm for adapting large language models (LLMs) to better achieve desired behaviors, particularly when direct access to model parameters is unavailable. Current strategies, however, often present a dilemma…

Artificial Intelligence · Computer Science 2025-12-17 Zhikang Xie , Weilin Wan , Peizhu Gong , Weizhong Zhang , Cheng Jin

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

Efficient design of genomic perturbation experiments is crucial for accelerating drug discovery and therapeutic target identification, yet exhaustive perturbation of the human genome remains infeasible due to the vast search space of…

Machine Learning · Statistics 2026-03-24 Yanke Li , Tianyu Cui , Tommaso Mansi , Mangal Prakash , Rui Liao

Agent-Based Models (ABMs) are used in several fields to study the evolution of complex systems from micro-level assumptions. However, ABMs typically can not estimate agent-specific (or "micro") variables: this is a major limitation which…

Physics and Society · Physics 2022-11-24 Corrado Monti , Marco Pangallo , Gianmarco De Francisci Morales , Francesco Bonchi

Large language models (LLMs) augmented with external tools are increasingly deployed as deep research agents that gather, reason over, and synthesize web information to answer complex queries. Although recent open-source systems achieve…

Artificial Intelligence · Computer Science 2026-02-24 Yi Wan , Jiuqi Wang , Liam Li , Jinsong Liu , Ruihao Zhu , Zheqing Zhu

Black-box optimization (BBO) involves functions that are unknown, inexact and/or expensive-to-evaluate. Existing BBO algorithms face several challenges, including high computational cost from extensive evaluations, difficulty in handling…

Optimization and Control · Mathematics 2025-09-26 Zixuan Zhang , Xiaowei Song , Jiaming Li , Yujiao Zeng , Yaling Nie , Min Zhu , Dongyun Lu , Yibo Zhang , Xin Xiao , Jie Li

There is a great need for improved statistical sampling in a range of physical, chemical and biological systems. Even simulations based on correct algorithms suffer from statistical error, which can be substantial or even dominant when slow…

Computational Physics · Physics 2007-11-09 F. Marty Ytreberg , Daniel M. Zuckerman

The optimization of high-dimensional black-box functions is a challenging problem. When a low-dimensional linear embedding structure can be assumed, existing Bayesian optimization (BO) methods often transform the original problem into…

Machine Learning · Statistics 2022-11-03 Shuhei A. Horiguchi , Tomoharu Iwata , Taku Tsuzuki , Yosuke Ozawa

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Bootstrapping large language models (LLMs) through preference-based policy optimization offers a promising direction for aligning model behavior with human preferences without relying on extensive manual annotations. In this work, we…

Artificial Intelligence · Computer Science 2025-12-25 Chen Jia

2026 has brought an explosion of interest in LLM-guided evolution of agentic artifacts, with systems like GEPA and Autoresearch demonstrating that LLMs can iteratively improve prompts, code, and agent architectures across diverse domains.…

Artificial Intelligence · Computer Science 2026-04-07 Andrew Borthwick , Stephen Ash , Anthony Galczak

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

Large Language Model (LLM)-based agents are increasingly applied to tasks requiring structured reasoning, tool use, and environmental adaptation, such as data manipulation, multistep planning, and computer-use automation. However, despite…

Artificial Intelligence · Computer Science 2025-11-26 Shashank Kirtania , Param Biyani , Priyanshu Gupta , Yasharth Bajpai , Roshni Iyer , Sumit Gulwani , Gustavo Soares

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables,…

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