The Synergy of Scientific and Machine Learning Modeling Workshop (“SynS & ML”) is an interdisciplinary forum for researchers and practitioners interested in the challenges of combining scientific and machine-learning models. The goal of the workshop is to gather together machine learning researchers eager to include scientific models into their pipelines, domain experts working on augmenting their scientific models with machine learning, and researchers looking for opportunities to incorporate ML in widely-used scientific models.
The power of machine learning (ML), its ability to build models by leveraging real-world data is also a big limitation; the quality and quantity of training data bound the validity domain of ML models. On the other hand, expert models are designed from first principles or experiences and labelled scientific if validated on curated real-world data, often even harvested for this specific purpose, as advised by the scientific method since Galileo. Expert models only describe idealized versions of the world which may hinder their deployment for important tasks such as accurate forecasting or parameter inference. This workshop focuses on the combination of two modelling paradigms: scientific and ML modelling. Sometimes called hybrid learning or grey-box modelling, this combination should 1) unlock new applications for expert models, and 2) leverage the data compressed within scientific models to improve the quality of modern ML models. In this spirit, the workshop focuses on the symbiosis between these two complementary modelling approaches; it aims to be a “rendezvous” between the involved communities, spanning sub-fields of science, engineering and health, and encompassing ML, to allow them to present their respective problems and solutions and foster new collaborations. The workshop invites researchers to contribute to such topics; see Call for Papers and Call for Scientific Models for more details.
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics - Rianne van den Berg (Talk) | |
The Domain Generalization Issue in Data-Based Dynamical Models - Patrick Gallinari (Talk) | |
Coffee Break (Break) | |
Climate modeling with AI: Hype or Reality? - Laure Zanna (Talk) | |
Poster Session 1 (Poster Session) | |
Lunch (Break) | |
AI-Augmented Epidemiology for Covid-19 - Sercan Arik (Talk) | |
Underspecification, inductive bias, and hybrid modeling - Andrew C. Miller (Talk) | |
ADEPT - Automatic Differentiation Enabled Plasma Transport (Spotlight) | |
ChemGymRL: An Interactive Framework for Reinforcement Learning for Digital Chemistry (Spotlight) | |
Repurposing Density Functional Theory to Suit Deep Learning (Spotlight) | |
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback (Spotlight) | |
Coffee Break (Break) | |
ClimaX: A Foundation Model for Weather and Climate (Spotlight) | |
Titanium 3D Microstructure for Physics-based Generative Models: A Dataset and Primer (Spotlight) | |
Poster Session 2 (Poster Session) | |
Physics-Constrained Random Forests for Turbulence Model Uncertainty Estimation (Poster) | |
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback (Poster) | |
Using machine learning and 3D geophysical modelling for mineral exploration (Poster) | |
An $\mathcal{A}$-adaptive Loop Unrolled Architecture for Solving Inverse Problems with Forward Model Mismatch (Poster) | |
Unbinned Profiled Unfolding (Poster) | |
Evaluating the diversity and utility of materials proposed by generative models (Poster) | |
Physics-Informed Neural Operator for Coupled Forward-Backward Partial Differential Equations (Poster) | |
Exploring the Existence of Atmospheric Blocking’s Precursor Patterns with Physics-Informed Explainable AI (Poster) | |
Predicting Properties of Amorphous Solids with Graph Network Potentials (Poster) | |
Good Lattice Accelerates Physics-Informed Neural Networks (Poster) | |
Task-Linear Deep Representation of Physical Systems (Poster) | |
Learning to Optimize Non-Convex Sum-Rate Maximization Problems (Poster) | |
ClimaX: A Foundation Model for Weather and Climate (Poster) | |
Synergizing Deep Reinforcement Learning and Biological Pursuit Behavioral Rule for Robust and Interpretable Navigation (Poster) | |
Generating observation guided ensembles for data assimilation with denoising diffusion probabilistic model (Poster) | |
Open Source Infrastructure for Differentiable Density Functional Theory (Poster) | |
Integrating processed-based models and machine learning for crop yield prediction (Poster) | |
INFINITY: Neural Field Modeling for Reynolds-Averaged Navier-Stokes Equations (Poster) | |
Neural Modulation Fields for Conditional Cone Beam Neural Tomography (Poster) | |
Diffusion model based data generation for partial differential equations (Poster) | |
Understanding Energy-Based Modeling of Proteins via an Empirically Motivated Minimal Ground Truth Model (Poster) | |
Adaptive Bias Correction for Improved Subseasonal Forecasting (Poster) | |
Titanium 3D Microstructure for Physics-based Generative Models: A Dataset and Primer (Poster) | |
CAAFE: Combining Large Language Models with Tabular Predictors for Semi-Automated Data Science (Poster) | |
Hybrid Diffusions for Stable Molecular Structure Generation via Explicit Energy-based Model (Poster) | |
Accelerating Molecular Graph Neural Networks via Knowledge Distillation (Poster) | |
How important are specialized transforms in Neural Operators? (Poster) | |
What if We Enrich day-ahead Solar Irradiance Time Series Forecasting with Spatio-Temporal Context? (Poster) | |
NuCLR: Nuclear Co-Learned Representations (Poster) | |
Learning from Topology: Cosmological Parameter Estimation from the Large-scale Structure (Poster) | |
Reliable coarse-grained turbulent simulations through combined offline learning and neural emulation (Poster) | |
Estimation of Physical Coefficients for CO$_2$ Sequestration using Deep Generative Priors based Inverse Modeling Framework (Poster) | |
How to Select Physics-Informed Neural Networks in the Absence of Ground Truth: A Pareto Front-Based Strategy (Poster) | |
Multi-Objective PSO-PINN (Poster) | |
RANS-PINN based Simulation Surrogates for Predicting Turbulent Flows (Poster) | |
A language-based recommendation system for material discovery (Poster) | |
Knowledge-Guided Additive Modeling For Supervised Regression (Poster) | |
Predictive Modeling of Engine-out Emissions using a Combination of Computational Fluid Dynamics and Machine Learning (Poster) | |
Optimization or Architecture: What Matters in Non-Linear Filtering? (Poster) | |
Improving the Lipschitz stability in Spectral Transformer through Nearest Neighbour Coupling (Poster) | |
Coupling Self-Attention Generative Adversarial Network and Bayesian Inversion for Carbon Storage System (Poster) | |
Neural Polytopes (Poster) | |
Convolutional Neural network for local stabilization parameter prediction for Singularly Perturbed PDEs (Poster) | |
Meta-Learning Deep Kernels for Latent Force Inference (Poster) | |
OL-Transformer: A Fast and Universal Surrogate Simulator for Optical Multilayer Thin Film Structures (Poster) | |
Physics-based deep learning framework to learn and forecast cardiac electrophysiology dynamics (Poster) | |
Speeding up Fourier Neural Operators via Mixed Precision (Poster) | |
A Machine Learning Pressure Emulator for Hydrogen Embrittlement (Poster) | |
Repurposing Density Functional Theory to Suit Deep Learning (Poster) | |
Reinstating Continuous Climate Patterns From Small and Discretized Data (Poster) | |
Predicting the stabilization quantity with neural networks for Singularly Perturbed Partial Differential Equations (Poster) | |
Learning Green's Function Efficiently Using Low-Rank Approximations (Poster) | |
Combining Thermodynamics-based Model of the Centrifugal Compressors and Active Machine Learning for Enhanced Industrial Design Optimization (Poster) | |
Simulation-based Inference with the Generalized Kullback-Leibler Divergence (Poster) | |
Infinite-Fidelity Surrogate Learning via High-order Gaussian Processes (Poster) | |
Understanding the Efficacy of U-Net & Vision Transformer for Groundwater Numerical Modelling (Poster) | |