Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.

A Knowledge Graph-Based Search Engine for Robustly Finding Doctors and Locations in the Healthcare Domain

Efficiently finding doctors and locations is an important search problem for patients in the healthcare domain, for which traditional information retrieval methods tend not to work optimally. In the last ten years, knowledge graphs (KGs) have emerged as a powerful way to combine the benefits of gleaning insights from semi-structured data using semantic modeling, natural language processing techniques like information extraction, and robust querying using structured query languages like SPARQL and Cypher. In this short paper, we present a KG-based search engine architecture for robustly finding doctors and locations in the healthcare domain. Early results demonstrate that our approach can lead to significantly higher coverage for complex queries without degrading quality.