paper-with-me

Papers

Sparks: Multi-Agent Artificial Intelligence Model Discovers Protein Design Principles

2025-04-26 · Alireza Ghafarollahi, Markus J. Buehler

Advances in artificial intelligence (AI) promise autonomous discovery, yet most systems still resurface knowledge latent in their training data. We present Sparks, a multi-modal multi-agent AI model that executes the entire discovery cycle that includes hypothesis generation, experiment design and iterative refinement to develop generalizable principles and a report without human intervention. Applied to protein science, Sparks uncovered two previously unknown phenomena: (i) a length-dependent mechanical crossover whereby beta-sheet-biased peptides surpass alpha-helical ones in unfolding force beyond ~80 residues, establishing a new design principle for peptide mechanics; and (ii) a chain-length/secondary-structure stability map revealing unexpectedly robust beta-sheet-rich architectures and a "frustration zone" of high variance in mixed alpha/beta folds. These findings emerged from fully self-directed reasoning cycles that combined generative sequence design, high-accuracy structure prediction and physics-aware property models, with paired generation-and-reflection agents enforcing self-correction and reproducibility. The key result is that Sparks can independently conduct rigorous scientific inquiry and identify previously unknown scientific principles.

📄 PDF Abstract BibTeX arXiv:2504.19017

Code (0)

등록된 구현이 없습니다.

Tasks

Protein Design

Similar Papers 제목 키워드 기반

The Rise and Potential of Large Language Model Based Agents: A Survey

2023-09-14 · Zhiheng Xi, Wenxiang Chen, Xin Guo, wei he 외

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense…

Language ModelingLanguage ModellingLarge Language Model

Moral Sparks in Social Media Narratives

2023-10-30 · Ruijie Xi, Munindar P. Singh

There is increasing interest in building computational models of moral reasoning by people to enable effective interaction by Artificial Intelligence (AI) agents. We examine interactions on social media to understand hum…

EthicsInformativenessMoral Scenarios

Does an artificial intelligence perform market manipulation with its own discretion? -- A genetic algorithm learns in an artificial market simulation

2020-05-21 · Takanobu Mizuta

Who should be charged with responsibility for an artificial intelligence performing market manipulation have been discussed. In this study, I constructed an artificial intelligence using a genetic algorithm that learns i…

Autonomous Inorganic Materials Discovery via Multi-Agent Physics-Aware Scientific Reasoning

2025-08-04 · Alireza Ghafarollahi, Markus J. Buehler arxiv

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge bak…

Sparks of Artificial General Intelligence(AGI) in Semiconductor Material Science: Early Explorations into the Next Frontier of Generative AI-Assisted Electron Micrograph Analysis

2024-09-17 · Sakhinana Sagar Srinivas, Geethan Sannidhi, Sreeja Gangasani, Chidaksh Ravuru 외

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pip…

In-Context LearningQuestion AnsweringVisual Question AnsweringVisual Question Answering (VQA)