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Meeting MS&T24: Materials Science & Technology
Symposium Frontiers of Machine Learning on Materials Discovery
Presentation Title Towards Automatic Alloy Design via Large Language Model Powered Multi-Agent Collaborations
Author(s) Bo Ni, S. Mohadeseh Taheri-Mousavi
On-Site Speaker (Planned) Bo Ni
Abstract Scope Alloy design often requires in-depth knowledge of materials science, expertise in applying modeling/experimental toolboxes and cognitive skills of processing information and making decisions, thus mainly reserved for human experts. Recent advances in manufacturing capabilities (e.g., additive manufacturing) have opened novel possibilities and raised the bar for the next generation of alloy designs. To address those opportunities and challenges, automation of reliable alloy design can have unique potential for high efficiency and reduced costs. In this presentation, we will discuss our recent exploration on automating alloy design by leveraging large language model (LLM) powered multi-agent conversional frameworks. Specially, we will discuss how individual agents based on general purposed LLM (e.g., GPT4) can be profiled to handle specific subtasks (e.g., planning and modelling) and how their conversations can lead to continuous improvements and effective alloy design. Our framework provides important insights and may lay the foundation for achieving robust automatic alloy designs.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Hierarchical Machine Learning Scheme to Identify Promising New Scintillators
abICS Framework for ab initio Statistical Thermodynamics of Complex Oxides Accelerated by Machine Learning
Accelerating Defect Predictions in Semiconductors Using Crystal Graphs
Accelerating Electron Microscopy and Experimentation through Acceptance of ML/AI
Autonomous Materials Synthesis System for Inorganic Thin Films Utilizing AI and Robotics
Bayesian optimization of CG topologies: Applications to common polymers
Data-Driven Accelerated Discovery of Novel Battery Materials
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Exploring New Frontiers in Inverse Materials Design through Graph Neural Networks and Large Language Models
Inverse Design of Quantum Materials by High-Throughput Calculations and Optimization Techniques
Machine-Learning-Aided Discovery of Metal-Organic Frameworks for Water Harvesting
Machine Learning in Chemistry: Reactive Force Fields and Beyond
Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility
MAXIMA: A High-Throughput Instrument for XRD and XRF Characterization of Materials
Physics-Aware Recurrent Convolutional Neural Networks for Modeling Hotspot Formation and Growth in Energetic Materials
Physics-Informed Machine Learning of Thermodynamic Properties
Physics-Infused Causal and Hypothesis-Driven AI for Advanced Functional Materials
Reinforcement Learning for Materials Science: Algorithms, Challenges and Applications to Improve Understanding of System Dynamics
Role of Domain Knowledge Injection in Data-Driven Methods Towards Accelerating Material Discovery
The Space of Phase Diagrams: Visualization Strategies for Advanced Materials
Towards Automatic Alloy Design via Large Language Model Powered Multi-Agent Collaborations
Using UNET Architecture for Microstructural Image Analysis in Hypoeutectoid Steel
Variable Selection for Small-Scale Chemical Experimental Data Based on Bayesian Inference

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