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Agentic programs merge LLMs with algorithms for scientific software

By PulseAugur Editorial · [1 sources] ·

A new paper introduces the concept of "agentic programs," a novel type of scientific software that integrates deterministic algorithms with Large Language Model (LLM)-based judgment. These programs aim to combine computational precision with human-like decision-making capabilities. The paper illustrates this concept using DeMARS, an agentic program designed to generate atomistic models from experimental disordered crystal structures. AI

IMPACT Introduces a new paradigm for scientific software by integrating LLMs into computational workflows.

RANK_REASON The cluster describes a new concept and software for scientific computing, detailed in an academic paper. [lever_c_demoted from research: ic=1 ai=1.0]

Read on arXiv cs.AI →

AI-generated summary · Google Gemini · from 1 sources. How we write summaries →

Agentic programs merge LLMs with algorithms for scientific software

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The cluster describes a new concept and software for scientific computing, detailed in an academic paper. [lever_c_demoted from research: ic=1 ai=1.0]
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COVERAGE [1]

  1. arXiv cs.AI TIER_1 English(EN) · Yunsung Lim, Haekwan Jeon, Jaesun Kim, Jisu Kim, Seungwu Han ·

    Agentic programs: an emerging form of scientific software in computational materials science

    arXiv:2609.00795v1 Announce Type: cross Abstract: Computational materials science has traditionally delegated algorithmic tasks to computers while leaving scientific judgments to humans. We argue that recent LLM-based agent harnesses enable an emerging form of scientific software…

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