Grants and Contributions:

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Title:

Developing Large Language Models with Reasoning Ability for Intelligent Design in Material Search

Agreement Number:

1019797

Agreement Value:

$176,000.00

Agreement Date:

Nov 1, 2024 - Mar 31, 2026

Description:

Recently, revolutionary progress has been made on large language models (LLMs) such as the GPT/Llama series, among others. Since the models provide unprecedented capabilities in representing and accessing knowledge, they have started to be used in scientific discovery/design, a new research trend that is still at its infant stage but will have a transformative impact. An essential component that is seriously understudied is reasoning for intelligent design. Reasoning is one of the most basic components of intelligence, which draws conclusions from existing knowledge. Without a solid reasoning ability, the progress that can be achieved for AI for design is seriously limited. The project aims to develop novel LLMs with enhanced reasoning. In a feasible setup, the project focuses on material discovery. The team targets two key objectives: (i) Developing novel reasoning models to effectively narrow down the search space of material design. (ii) Researching better graph networks to represent materials and building LLM-based agents to find material design solutions.

Organization:

National Research Council Canada

Expected Results:

In the short term, anticipated outcomes will be strengthened collaborations across industry, academia, and government to support research excellence. In the medium term, anticipated outcomes will be the development of new and potentially disruptive technologies with collaborators. In the long term, find collaborative solutions to public policy challenges and create stronger innovation systems.

Location:

Kingston, Ontario, CA K7L 3N6

Reference Number:

172-2024-2025-Q3-1019797

Agreement Type:

Grant

Report Type:

Grants and Contributions

Recipient Business Number:

107868705

Recipient Type:

Academia

Recipient's Legal Name:

Queen's University at Kingston

Federal Riding Name:

Kingston and the Islands

Federal Riding Number:

35046

Program:

Collaborative Science, Technology and Innovation Program - Collaborative R&D Initiatives

Program Purpose:

Collaborate on multiparty research and development programs to catalyze transformative, high-risk, high-reward research with the potential for game-changing scientific discoveries and technological breakthroughs in priority areas.

NAICS Code:

541710