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Scientific discovery can be modeled as a sequence of probabilistic decisions that map physical problems to numerical solutions. Recent agentic AI systems automate individual scientific tasks by orchestrating LLM-driven planners, solvers,…

Machine Learning · Computer Science 2026-05-13 Juan Diego Toscano , Zhaojie Chai , George Em Karniadakis

Automating scientific computing workflows requires more than generating executable code: autonomous systems must also select appropriate computational strategies, implement them faithfully, and ensure that the resulting outcomes remain…

Artificial Intelligence · Computer Science 2026-05-29 Geremy Loachamín-Suntaxi , Robert Lazar , Dimitrios G. Giovanis , Ioannis G. Kevrekidis , Eleni D. Koronaki

Decision-making models for individuals, particularly in high-stakes scenarios like vaccine uptake, often diverge from population optimal predictions. This gap arises from the uniqueness of the individual decision-making process, shaped by…

Artificial Intelligence · Computer Science 2025-11-05 Yibo Zhao , Yang Zhao , Hongru Du , Hao Frank Yang

ATHENA is an open source Python package for reduction in parameter space. It implements several advanced numerical analysis techniques such as Active Subspaces (AS), Kernel-based Active Subspaces (KAS), and Nonlinear Level-set Learning…

Numerical Analysis · Mathematics 2022-04-19 Francesco Romor , Marco Tezzele , Gianluigi Rozza

Solving math word problems depends on how to articulate the problems, the lens through which models view human linguistic expressions. Real-world settings count on such a method even more due to the diverse practices of the same…

Computation and Language · Computer Science 2023-12-19 JB. Kim , Hazel Kim , Joonghyuk Hahn , Yo-Sub Han

Conventional algorithmic trading systems are grounded in deterministic heuristics or offline-trained statistical models that cannot adapt to the semantic complexity of rapidly shifting market regimes. This paper introduces AGENTICAITA, an…

Trading and Market Microstructure · Quantitative Finance 2026-05-14 Ivan Letteri

Synthetic biology is the engineering of cellular networks. It combines principles of engineering and the knowledge of biological networks to program the behavior of cells. Computational modeling techniques in conjunction with molecular…

Quantitative Methods · Quantitative Biology 2009-02-17 Deepak Chandran , Frank T. Bergmann , Herbert M. Sauro

Prefetching and off-chip prediction are two techniques proposed to hide long memory access latencies in high-performance processors. In this work, we demonstrate that: (1) prefetching and off-chip prediction often provide complementary…

This study introduces the concept of finite element network analysis (FENA) which is a physics-informed, machine-learning-based, computational framework for the simulation of complex physical systems. The framework leverages the extreme…

Computational Physics · Physics 2021-02-24 Mehdi Jokar , Fabio Semperlotti

Text-to-image diffusion models achieve high visual fidelity but surprisingly exhibit systematic failures in numerical control when prompts specify explicit object counts. To address this limitation, we introduce ATHENA, a model-agnostic,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Mohammad Shahab Sepehri , Asal Mehradfar , Berk Tinaz , Salman Avestimehr , Mahdi Soltanolkotabi

Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

Vision-Language Navigation (VLN) policies trained on offline datasets often exhibit degraded task performance when deployed in unfamiliar navigation environments at test time, where agents are typically evaluated without access to external…

Robotics · Computer Science 2025-06-10 Heeju Ko , Sungjune Kim , Gyeongrok Oh , Jeongyoon Yoon , Honglak Lee , Sujin Jang , Seungryong Kim , Sangpil Kim

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints,…

Machine Learning · Computer Science 2025-07-21 Xiaowen Ma , Chenyang Lin , Yao Zhang , Volker Tresp , Yunpu Ma

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Existing unstructured data analytics systems rely on experts to write code and manage complex analysis workflows, making them both expensive and time-consuming. To address these challenges, we introduce AgenticData, an innovative agentic…

Databases · Computer Science 2025-08-08 Ji Sun , Guoliang Li , Peiyao Zhou , Yihui Ma , Jingzhe Xu , Yuan Li

The Athena Startup Kit (ASK), is an interactive front-end to the Atlas software framework (ATHENA). Written in python, a very effective "glue" language, it is build on top of the, in principle unrelated, code repository, build,…

Software Engineering · Computer Science 2007-05-23 W. T. L. P. Lavrijsen

Agentic AI systems plan, use tools, maintain state, and act across multi-step workflows with external effects, meaning trustworthy deployment can no longer be judged by task completion alone. The current literature remains fragmented across…

Software Engineering · Computer Science 2026-04-23 Christopher Koch , Joshua Andreas Wellbrock

We propose a technology-agnostic, collaboration-ready stance for Human-AI Agents Collaboration Systems (HAACS) that closes long-standing gaps in prior stages (automation; flexible autonomy; agentic multi-agent collectives). Reading…

Artificial Intelligence · Computer Science 2025-10-10 Ju Wu , Calvin K. L. Or

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

Autonomous agents play a crucial role in advancing Artificial General Intelligence, enabling problem decomposition and tool orchestration through Large Language Models (LLMs). However, existing paradigms face a critical trade-off. On one…

Artificial Intelligence · Computer Science 2025-09-03 Jinzhou Tang , Jusheng Zhang , Qinhan Lv , Sidi Liu , Jing Yang , Chengpei Tang , Keze Wang
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