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2. New Mechanistic-ML Methods: PINN, transformer, neural operators, XAI, Large Language Models

MSM lead: George Karniadakis; IMAG lead: Mauricio Rangel-Gomez, Ilana Goldberg, Julia Berzhanskaya

• What are the similarities and differences between current methods; e.g. PINN, neural operator, transformer, XAI, Large Language models?
• What are the opportunities to improve these methods?
• How can these methods be applied to blood diagnostics an diseases as it pertains to the IMAG interest group AI and Machine Learning for Blood Diagnostics and Diseases | Interagency Modeling and Analysis Group (nih.gov)? 
• How can these methods be applied to neuroscience?
• How can these methods be used in the IMAG initiatives discussed in Session 2.1?
• How can we use biomechanistic and bioinformatics models synenergistically?
• Graph neural networks and causal inference.
• Uncertainty quantification in neural networks.

Resources:

Articles of Interest:

Stop explaining black box machine learning models for high stakes decisions and use interpretable models instead

[2303.12093] ChatGPT for Programming Numerical Methods (arxiv.org)

4 Ideas for Physics-Informed Neural Networks that FAILED | by Rafael Bischof | Towards Data Science

10 Exciting Project Ideas Using Large Language Models (LLMs) for Your Portfolio | by Leonie Monigatti | May, 2023 | Towards Data Science

Uncertainty quantification in scientific machine learning: Methods, metrics, and comparisons

Learning nonlinear operators via DeepONet based on the universal approximation theorem of operators

A Deep convolutional neural network for classification of red blood cells in sickle cell anemia

NIH Announcements:

NIMH » Explainable Artificial Intelligence for Decoding and Modulating Behaviorally-Activated Brain Circuits (nih.gov)

NOT-MH-23-110: Notice of Special Interest (NOSI): Explainable Artificial Intelligence for Decoding and Modulating Neural Circuit Activity Linked to Behavior (nih.gov)

May 31, 2023: NIH Pragmatic Trials Collaboratory Announces Virtual Workshop on Getting the Right Evidence to Decision-Makers Faster - Rethinking Clinical Trials

IMAG wiki: Models, Tools and Databases

MSM Theoretical and Computational Methods WG

2019 IMAG ML-MSM Meeting

Publication from 2019 ML-MSM meeting