9 papers
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Autonomous Multi-Agent AI for High-Throughput Polymer Informatics: From Property Prediction to Generative Design Across Synthetic and Bio-Polymers
Mahule Roy, Adib Bazgir, Arthur da Silva Sousa Santos +1
We present an integrated multiagent AI ecosystem for polymer discovery that unifies high-throughput materials workflows, artificial intelligence, and computational modeling within…
Intervention Efficiency and Perturbation Validation Framework: Capacity-Aware and Robust Clinical Model Selection under the Rashomon Effect
Yuwen Zhang, Viet Tran, Paul Weng
In clinical machine learning, the coexistence of multiple models with comparable performance (a manifestation of the Rashomon Effect) poses fundamental challenges for trustworthy d…
Quantum Error Mitigation with Attention Graph Transformers for Burgers Equation Solvers on NISQ Hardware
Seyed Mohamad Ali Tousi, Adib Bazgir, Yuwen Zhang +1
We present a hybrid quantum-classical framework augmented with learned error mitigation for solving the viscous Burgers equation on noisy intermediate-scale quantum (NISQ) hardware…
AgenticAD: A Specialized Multiagent System Framework for Holistic Alzheimer Disease Management
Adib Bazgir, Amir Habibdoust, Xing Song +1
Alzheimer's disease (AD) presents a complex, multifaceted challenge to patients, caregivers, and the healthcare system, necessitating integrated and dynamic support solutions. Whil…
Causal MAS: A Survey of Large Language Model Architectures for Discovery and Effect Estimation
Adib Bazgir, Amir Habibdoust, Yuwen Zhang +1
Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning and generation tasks. However, their proficiency in complex causal reasoning, discovery,…