activity
20132026
most citedModeling polypharmacy side effects with graph convolutional networks

1.5k citations · 6.9k across the 102 of their papers we have counts for

collaborators
Showing 2025Show all

22 papers · 1 filter

q-bio.QM2025

Graph AI generates neurological hypotheses validated in molecular, organoid, and clinical systems

Ayush Noori, Joaquín Polonuer, Katharina Meyer +26

Neurological diseases are the leading global cause of disability, yet most lack disease-modifying treatments. We present PROTON, a heterogeneous graph transformer that generates te…

q-bio.QM2025

Greater than the Sum of Its Parts: Building Substructure into Protein Encoding Models

Robert Calef, Arthur Liang, Manolis Kellis +1

Protein representation learning has advanced rapidly with the scale-up of sequence and structure supervision, but most models still encode proteins either as per-residue token sequ…

q-bio.QM2025★ 2 cited

Protein Structure Tokenization via Geometric Byte Pair Encoding

Michael Sun, Weize Yuan, Gang Liu +2

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the la…

cs.AI2025★ 1 cited

Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics

Lianhao Zhou, Hongyi Ling, Cong Fu +14

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous sys…

cs.AI2025★ 1 cited

A global log for medical AI

Ayush Noori, Aaron E. Boussina, Hai Ho Bich +48

Modern computer systems rely on syslog, a universal protocol that records critical events across heterogeneous infrastructure. Medicine's rapidly growing AI stack has no equivalent…

cs.CL2025

KnowGuard: Knowledge-Driven Abstention for Multi-Round Clinical Reasoning

Xilin Dang, Kexin Chen, Xiaorui Su +7

In clinical practice, physicians refrain from making decisions when patient information is insufficient. This behavior, known as abstention, is a critical safety mechanism preventi…