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Time-series data is central to decision-making in financial markets, yet building high-performing, interpretable, and auditable models remains a major challenge. While Automated Machine Learning (AutoML) frameworks streamline model…

Artificial Intelligence · Computer Science 2025-08-27 Yihao Ang , Yifan Bao , Lei Jiang , Jiajie Tao , Anthony K. H. Tung , Lukasz Szpruch , Hao Ni

Molecular dynamics (MD) simulation is a powerful tool for studying biomolecular structural changes, molecular recognition, transmembrane transport, and functional mechanisms. However, its practical bottleneck lies not only in software…

Quantitative Methods · Quantitative Biology 2026-04-22 Zhenyu Ma , Chunyi Yang , Yuyang Song , Jingyi Zhu , Letian Yang , Limei Xu , Min Xiao , Xukai Jiang

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

In recent years, the application of generative artificial intelligence (GenAI) in financial analysis and investment decision-making has gained significant attention. However, most existing approaches rely on single-agent systems, which fail…

Artificial Intelligence · Computer Science 2024-11-08 Xuewen Han , Neng Wang , Shangkun Che , Hongyang Yang , Kunpeng Zhang , Sean Xin Xu

We present \textbf{QED}, an open-source multi-agent system that turns human-provided research questions into complete mathematical proofs without further human guidance. Its pipeline is designed to overcome common failures of single-query…

Artificial Intelligence · Computer Science 2026-05-25 Chenyang An , Qihao Ye , Minghao Pan , Jiayaun Zhang

Large Language Models (LLMs) have substantially influenced various software engineering tasks. Indeed, in the case of software refactoring, traditional LLMs have shown the ability to reduce development time and enhance code quality.…

Software Engineering · Computer Science 2026-03-06 Khouloud Oueslati , Maxime Lamothe , Foutse Khomh

A central challenge in quantum information science and technology is achieving real-time estimation and feedforward control of quantum systems. This challenge is compounded by the inherent inhomogeneity of quantum resources, such as qubit…

Machine Learning · Computer Science 2024-05-28 Linsen Li , Pratyush Anand , Kaiming He , Dirk Englund

Pharmaceutical patents play a vital role in biochemical industries, especially in drug discovery, providing researchers with unique early access to data, experimental results, and research insights. With the advancement of machine learning,…

Machine Learning · Computer Science 2024-10-30 Xin Wang , Yifan Zhang , Xiaojing Zhang , Longhui Yu , Xinna Lin , Jindong Jiang , Bin Ma , Kaicheng Yu

While Large Language Model (LLM) agents show promise in automated trading, they still face critical limitations. Prominent multi-agent frameworks often suffer from inefficiency, produce inconsistent signals, and lack the end-to-end…

Computational Engineering, Finance, and Science · Computer Science 2026-04-21 Zheye Deng , Weixiang Yan , Changlong Yu , Jiashu Wang

Reinforcement learning (RL) agent development traditionally requires substantial expertise and iterative effort, often leading to high failure rates and limited accessibility. This paper introduces Agent$^2$, an LLM-driven…

Artificial Intelligence · Computer Science 2025-10-01 Yuan Wei , Xiaohan Shan , Ran Miao , Jianmin Li

Quantitative investment (``quant'') is an interdisciplinary field combining financial engineering, computer science, mathematics, statistics, etc. Quant has become one of the mainstream investment methodologies over the past decades, and…

Computational Finance · Quantitative Finance 2023-01-11 Jian Guo , Saizhuo Wang , Lionel M. Ni , Heung-Yeung Shum

Alpha mining, a critical component in quantitative investment, focuses on discovering predictive signals for future asset returns in increasingly complex financial markets. However, the pervasive issue of alpha decay, where factors lose…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Ziyi Tang , Zechuan Chen , Jiarui Yang , Jiayao Mai , Yongsen Zheng , Keze Wang , Jinrui Chen , Liang Lin

Large language models (LLMs) have achieved remarkable outcomes in complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet, few works have explored the potential of LLMs in quantum computing. The most…

Quantum Physics · Physics 2026-01-28 Linus Jern , Valter Uotila , Cong Yu , Bo Zhao

Centralized training with decentralized execution has become an important paradigm in multi-agent learning. Though practical, current methods rely on restrictive assumptions to decompose the centralized value function across agents for…

Machine Learning · Computer Science 2020-06-11 Yaodong Yang , Ying Wen , Liheng Chen , Jun Wang , Kun Shao , David Mguni , Weinan Zhang

We introduce QiboAgent, a reference implementation designed to serve as a practitioner's guideline for developing specialized coding assistants in Quantum Computing middleware. Addressing the limitations in scientific software development…

Quantum Physics · Physics 2026-03-17 Lorenzo Esposito , Andrea Papaluca , Stefano Carrazza

The advancement of LLMs and their accessibility have triggered renewed interest in multi-agent reinforcement learning as robust and adaptive frameworks for dynamically changing environments. This paper introduces RL-Focal, a two-stage RL…

Computation and Language · Computer Science 2025-10-14 Selim Furkan Tekin , Fatih Ilhan , Gaowen Liu , Ramana Rao Kompella , Ling Liu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

In many real-world systems, such as adaptive robotics, achieving a single, optimised solution may be insufficient. Instead, a diverse set of high-performing solutions is often required to adapt to varying contexts and requirements. This is…

Machine Learning · Computer Science 2023-11-06 Garðar Ingvarsson , Mikayel Samvelyan , Bryan Lim , Manon Flageat , Antoine Cully , Tim Rocktäschel

Organizations increasingly adopt Retrieval-Augmented Generation (RAG) to enhance Large Language Models with enterprise-specific knowledge. However, current data quality (DQ) frameworks have been primarily developed for static datasets, and…

Artificial Intelligence · Computer Science 2025-10-02 Leopold Müller , Joshua Holstein , Sarah Bause , Gerhard Satzger , Niklas Kühl

Dynamic Data selection aims to accelerate training by prioritizing informative samples during online training. However, existing methods typically rely on task-specific handcrafted metrics or static/snapshot-based criteria to estimate…

Machine Learning · Computer Science 2026-05-14 Suorong Yang , Fangjian Su , Hai Gan , Ziqi Ye , Jie Li , Baile Xu , Furao Shen , Soujanya Poria