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LLM-Guided Monte Carlo Tree Search over Knowledge Graphs: Composing Mechanistic Explanations for Drug-Disease Pairs

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Rishabh Jakhar, Michel Dumontier, Remzi Celebi

๐Ÿ’ก ๊ฐœ์š”

๋ณธ ๋…ผ๋ฌธ์€ ์•ฝ๋ฌผ-์งˆ๋ณ‘ ์Œ์— ๋Œ€ํ•œ ๋‹ค๋‹จ๊ณ„ ์„ค๋ช… ์ถ”์ถœ์˜ ์กฐํ•ฉ๋ก ์  ๋‚œ์ œ๋ฅผ ํ•ด๊ฒฐํ•˜๊ธฐ ์œ„ํ•ด LLM๊ณผ ๋ชฌํ…Œ์นด๋ฅผ๋กœ ํŠธ๋ฆฌ ํƒ์ƒ‰(MCTS)์„ ๊ฒฐํ•ฉํ•œ ์‹ ๊ฒฝ-๊ธฐํ˜ธ์‹ ํ”„๋ ˆ์ž„์›Œํฌ์ธ TESSERA๋ฅผ ์ œ์•ˆํ•ฉ๋‹ˆ๋‹ค. TESSERA๋Š” LLM์„ ๊ตญ์†Œ์ ์ธ ํŒ๋‹จ๊ณผ ํƒ์ƒ‰ ํŽธํ–ฅ์— ํ™œ์šฉํ•˜๊ณ , ์ง€์‹ ๊ทธ๋ž˜ํ”„๋Š” ๊ตฌ์กฐ์  ์ œ์•ฝ์„ ๋ถ€์—ฌํ•˜๋ฉฐ, MCTS๋Š” ์žฅ๊ธฐ ํƒ์ƒ‰๊ณผ ์‹ ์šฉ ํ• ๋‹น์„ ์กฐ์ •ํ•ฉ๋‹ˆ๋‹ค.

๐Ÿ”‘ ์‹œ์‚ฌ์  ๋ฐ ํ•œ๊ณ„

โ€ข
LLM์˜ ์ถ”๋ก  ๋Šฅ๋ ฅ์„ ์ง€์‹ ๊ทธ๋ž˜ํ”„์˜ ๊ตฌ์กฐ์  ์ œ์•ฝ๊ณผ MCTS์˜ ํƒ์ƒ‰ ๋ฉ”์ปค๋‹ˆ์ฆ˜๊ณผ ๊ฒฐํ•ฉํ•˜์—ฌ ๋ณต์žกํ•œ ์„ค๋ช… ์ƒ์„ฑ์„ ํšจ๊ณผ์ ์œผ๋กœ ์ˆ˜ํ–‰ํ•  ์ˆ˜ ์žˆ์Šต๋‹ˆ๋‹ค.
โ€ข
์•ฝ๋ฌผ ๋ฉ”์ปค๋‹ˆ์ฆ˜ ๊ทœ๋ช… ๋ถ„์•ผ์—์„œ ๊ฒ€์ฆ๋œ ์ƒ๋ฌผํ•™์  ์‚ฌ์‹ค์— ๋ถ€ํ•ฉํ•˜๋ฉด์„œ๋„ ์ƒˆ๋กญ๊ณ  ์ผ๊ด€์„ฑ ์žˆ๋Š” ๋Œ€์•ˆ ๋ฉ”์ปค๋‹ˆ์ฆ˜์„ ์ œ์‹œํ•˜๋Š” ๊ฐ€๋Šฅ์„ฑ์„ ๋ณด์—ฌ์ค๋‹ˆ๋‹ค.
โ€ข
LLM์˜ ์ง€์‹์€ ๋ณด์žฅ๋˜์ง€ ์•Š์œผ๋ฏ€๋กœ, LLM์˜ ํŒ๋‹จ์— ๋Œ€ํ•œ ๊ฒ€์ฆ ๋ฐ ํ†ต์ œ ๋ฉ”์ปค๋‹ˆ์ฆ˜์ด ์ค‘์š”ํ•˜๋ฉฐ, ํ”„๋ ˆ์ž„์›Œํฌ์˜ ์ผ๋ฐ˜ํ™” ๊ฐ€๋Šฅ์„ฑ์„ ํ™•์žฅํ•˜๊ธฐ ์œ„ํ•œ ์ถ”๊ฐ€ ์—ฐ๊ตฌ๊ฐ€ ํ•„์š”ํ•ฉ๋‹ˆ๋‹ค.
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