Our overarching goal is to lay the foundations for AI that contribute to the scientific understanding of medicine and therapeutic design, eventually enabling AI to learn on its own and acquire knowledge autonomously.
We focus on foundational innovation in artificial intelligence and machine learning with an emphasis on AI systems that are informed by geometry, structure, and grounded in medical knowledge. This involves building AI models, including pre-trained, self-supervised, multi-purpose, and multi-modal models trained at scale to enable broad generalization.
The state of a person is described with increasing precision incorporating modalities like genetic code, cellular atlases, molecular datasets, and therapeutics—the challenge is how to reason over these data to develop powerful disease diagnostics and empower new kinds of therapies. Our research creates new avenues for fusing knowledge and patient data to give the right patient the right treatment at the right time and have medicinal effects that are consistent from person to person and with results in the laboratory.
For centuries, the method of discovery—the fundamental practice of science that scientists use to explain the natural world systematically and logically—has remained largely the same. We are using AI to change that. The natural world is interconnected, from the various facets of genome regulation to the molecular and organismal levels. These interactions across different levels yield a bewildering degree of complexity. Our research seeks to disentangle this complexity, developing AI models that advance drug design and help develop new kinds of therapies.
Latest News
Mar 2025: On Biomedical AI in Harvard Gazette
Read about AI in medicine in thelatest Harvard Gazette andNew York Times.
Mar 2025: TxAgent: AI Agent for Therapeutic Reasoning
TxAgent is an AI agent for therapeutic reasoning that consolidates 211 tools from trusted sources,including all US FDA-approved drugs since 1939 and validated clinical insights.[Project website][TxAgent][ToolUniverse]
Mar 2025: Multimodal AI predicts clinical outcomes of drug combinations from preclinical data
Mar 2025: KGARevion: AI Agent for Knowledge-Intensive Biomedical QA
KGARevion is an AI agent designed for complex biomedical QA that integrates the non-codified knowledge of LLMs with the structured, codified knowledge found in knowledge graphs.[ICLR 2025 publication]
Feb 2025: MedTok: Unlocking Medical Codes for GenAI
MeetMedTok, a multimodal medical code tokenizer that transforms how AI understands structured medical data. By integrating textual descriptions and relational contexts, MedTok enhances tokenization for transformer-based models—powering everything from EHR foundation models to medical QA.[Project website]
Feb 2025: What If You Could Rewrite Biology? Meet CLEF
What if we could anticipate molecular and medical changes before they happen? IntroducingCLEF, an approach for counterfactual generation in biological and medical sequence models.[Project website]
Feb 2025: Digital Twins as Global Health and Disease Models
New paper on the role of digital twins asglobal health and disease learning models for preventive and personalized medicine.
Jan 2025: LLM and KG+LLM agent papers at ICLR
New papers ontest-time interventions in language models andknowledge graph based LLM agents accepted to ICLR.[KGARevion]
Jan 2025: Artificial Intelligence in Medicine 2
Excited to share our new graduate course onArtificial Intelligence in Medicine 2.
Jan 2025: ProCyon AI Highlighted by Kempner
Thanks to Kempner Institute for highlighting our latest research,ProCyon, our protein-text foundation model for modeling protein functions.
Jan 2025: AI Design of Proteins for Therapeutics
New Voices piece in Cell Systems:How will computational protein design change biotechnology and therapeutic development?
Dec 2024: Foundation Model for Protein Phenotypes
Dec 2024: Unified Clinical Vocabulary Embeddings
New paper:A unified resource provides a new representation of clinical knowledge by unifying medical vocabularies. (1) Phenotype risk score analysis across 4.57 million patients, (2) Inter-institutional clinician panels evaluate alignment with clinical knowledge across 90 diseases and 3,000 clinical codes.
Dec 2024: SPECTRA in Nature Machine Intelligence
Are biomedical AI models truly as smart as they seem?SPECTRA is a framework that evaluates models by considering the full spectrum of cross-split overlap: train-test similarity. SPECTRA reveals gaps in benchmarks for molecular sequence data across 19 models, including LLMs, GNNs, diffusion models, and conv nets.
Nov 2024: Ayush Noori Selected as a Rhodes Scholar
Congratulations toAyush Noori on being named a Rhodes Scholar! Such an incredible achievement!
Nov 2024: PocketGen in Nature Machine Intelligence
Nov 2024: Biomedical AI Agents in Cell
Oct 2024: Activity Cliffs in Molecular Properties
Oct 2024: Knowledge Graph Agent for Medical Reasoning
New paper introducing aknowledge graph agent for complex, knowledge-intensive medical reasoning.
Sep 2024: Three Papers Accepted to NeurIPS
Exciting projects include a unified multi-task time series model, a flow-matching approach for generating protein pockets using geometric priors, and a tokenization method that produces invariant molecular representations for integration into large language models.
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