MIND: AI Co-Scientist for Material Research
- URL: http://arxiv.org/abs/2604.13699v1
- Date: Wed, 15 Apr 2026 10:27:01 GMT
- Title: MIND: AI Co-Scientist for Material Research
- Abstract summary: MIND organizes the scientific discovery process into hypothesis refinement, experimentation, and debate-based validation.<n>For experimental verification, the system integrates Machine Learning Interatomic Potentials.<n>The modular design allows additional experimental modules to be integrated, making the framework adaptable to broader scientific research.
- Score: 13.842488789399743
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for automated hypothesis validation in materials research. MIND organizes the scientific discovery process into hypothesis refinement, experimentation, and debate-based validation within a multi-agent pipeline. For experimental verification, the system integrates Machine Learning Interatomic Potentials, particularly SevenNet-Omni, enabling scalable in-silico experiments. We also provide a web-based user interface for automated hypothesis testing. The modular design allows additional experimental modules to be integrated, making the framework adaptable to broader scientific workflows. The code is available at: https://github.com/IMMS-Ewha/MIND, and a demonstration video at: https://youtu.be/lqiFe1OQzN4.
Related papers
- Experiment-as-Code Labs: A Declarative Stack for AI-Driven Scientific Discovery [16.75156456478123]
We propose a new paradigm called Experiment-as-Code (EaC) Labs''<n>EaC Labs encode experiments as declarative configurations that can be compiled down to device-level APIs.<n>This is a general stack that is science-, lab-, and instrument-independent.
arXiv Detail & Related papers (2026-05-06T00:50:34Z) - From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry [109.17159174400912]
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge.<n>This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle.
arXiv Detail & Related papers (2026-05-04T22:48:45Z) - pAI/MSc: ML Theory Research with Humans on the Loop [0.6335848702857036]
pAI/MSc is an open-source, customizable, modular multi-agent system for academic research ideation.<n>It reduces by orders of the human steering required to turn a specified hypothesis into a literature-grounded, mathematically established, experimentally supported, submission-oriented manuscript draft.
arXiv Detail & Related papers (2026-04-22T14:38:28Z) - An Agentic Framework for Autonomous Materials Computation [70.24472585135929]
Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery.<n>Recent advances integrate LLMs into agentic frameworks, enabling retrieval, reasoning, and tool use for complex scientific experiments.<n>Here, we present a domain-specialized agent designed for reliable automation of first-principles materials computations.
arXiv Detail & Related papers (2025-12-22T15:03:57Z) - Probing Scientific General Intelligence of LLMs with Scientist-Aligned Workflows [203.3527268311731]
We present an operational SGI definition grounded in the Practical Inquiry Model (PIM)<n>We operationalize it via four scientist-aligned tasks: deep research, idea generation, dry/wet experiments, and experimental reasoning.<n>Our PIM-grounded definition, workflow-centric benchmark, and empirical insights establish a foundation for AI systems that genuinely participate in scientific discovery.
arXiv Detail & Related papers (2025-12-18T12:44:36Z) - AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions [65.44445343399126]
We look at AI-enabled science across biology, chemistry, climate science, mathematics, materials science, physics, self-driving laboratories and unconventional computing.<n>Several shared themes emerge: the need for diverse and trustworthy data, transferable electronic-structure and interatomic models, AI systems integrated into end-to-end scientific synthesis.<n>Across domains, we highlight how large foundation models, active learning and self-driving laboratories can close loops between prediction and validation.
arXiv Detail & Related papers (2025-11-26T02:10:28Z) - Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI [98.19195693735487]
We propose the paradigm of Intelligent Science Laboratories (ISLs)<n>ISLs are a multi-layered, closed-loop framework that deeply integrates cognitive and embodied intelligence.<n>We argue that such systems are essential for overcoming the current limitations of scientific discovery.
arXiv Detail & Related papers (2025-06-24T13:31:44Z) - PriM: Principle-Inspired Material Discovery through Multi-Agent Collaboration [0.0]
We introduce principles-guided material discovery system powered by language inferential multi-agent system (MAS)<n>Our framework integrates automated hypothesis generation with experimental validation in a roundtable system of MAS.<n>Based on our framework, the case study of nano helix demonstrates higher materials exploration rate and property value.
arXiv Detail & Related papers (2025-04-09T03:05:10Z) - VISION: A Modular AI Assistant for Natural Human-Instrument Interaction at Scientific User Facilities [0.19736111241221438]
generative AI presents an opportunity to bridge this knowledge gap.<n>We present a modular architecture for the Virtual Scientific Companion (VISION)<n>With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an X-ray scattering beamline.
arXiv Detail & Related papers (2024-12-24T04:37:07Z) - Autonomous Microscopy Experiments through Large Language Model Agents [4.241267255764773]
Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research.<n>We introduce Artificially Intelligent Lab Assistant (AILA), a framework automating atomic force microscopy through LLM driven agents.<n>We find that state of the art models struggle with basic tasks and coordination scenarios.
arXiv Detail & Related papers (2024-12-18T09:35:28Z) - MatPilot: an LLM-enabled AI Materials Scientist under the Framework of Human-Machine Collaboration [13.689620109856783]
We developed an AI materials scientist named MatPilot, which has shown encouraging abilities in the discovery of new materials.
The core strength of MatPilot is its natural language interactive human-machine collaboration.
MatPilot integrates unique cognitive abilities, extensive accumulated experience, and ongoing curiosity of human-beings.
arXiv Detail & Related papers (2024-11-10T12:23:44Z) - Many Heads Are Better Than One: Improved Scientific Idea Generation by A LLM-Based Multi-Agent System [62.832818186789545]
Virtual Scientists (VirSci) is a multi-agent system designed to mimic the teamwork inherent in scientific research.<n>VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas.<n>We show that this multi-agent approach outperforms the state-of-the-art method in producing novel scientific ideas.
arXiv Detail & Related papers (2024-10-12T07:16:22Z) - SIERRA: A Modular Framework for Research Automation [5.220940151628734]
We present SIERRA, a novel framework for accelerating research developments and improving results.
SIERRA makes it easy to quickly specify the independent variable(s) for an experiment, generate experimental inputs, automatically run the experiment, and process the results to generate deliverables such as graphs and videos.
It employs a deeply modular approach that allows easy customization and extension of automation for the needs of individual researchers.
arXiv Detail & Related papers (2022-03-03T23:45:46Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.