Generative diffusion and flow models are constructed to remain exactly on the Lorentz-invariant massless N-particle phase space manifold during sampling for particle physics applications.
OmniMol: Transferring Particle Physics Knowledge to Molecular Dynamics with Point-Edge Transformers
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abstract
We present OmniMol, a state-of-the-art all-to-all transformer-based small molecule machine-learned interatomic potential (MLIP). OmniMol is built by adapting Omnilearned, a foundation model for particle jets found in high-energy physics (HEP) experiments such as at the Large Hadron Collider (LHC). Omnilearned is built with a Point-Edge-Transformer (PET) and pre-trained using a diverse set of one billion particle jets. It includes an interaction-matrix attention bias that injects pairwise sub-nuclear (HEP) or atomic (molecular-dynamics) physics directly into the transformer's attention logits, steering the network toward physically meaningful neighborhoods without sacrificing expressivity. We demonstrate OmniMol using the oMol dataset and find excellent performance even with relatively few examples for fine-tuning. Further, due to architectural transfer from Omnilearned, we demonstrate uniquely fast inference. This study lays the foundation for building interdisciplinary connections given datasets represented as collections of point clouds.
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2026 2verdicts
UNVERDICTED 2representative citing papers
A single MoE-based foundation model with transformer backbone unifies simulation, PID, and noise filtering for the GlueX DIRC detector and matches or exceeds traditional geometrical and prior deep-learning methods across kinematics.
citing papers explorer
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Generative models on phase space
Generative diffusion and flow models are constructed to remain exactly on the Lorentz-invariant massless N-particle phase space manifold during sampling for particle physics applications.
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Application of a Mixture of Experts-based Foundation Model to the GlueX DIRC Detector
A single MoE-based foundation model with transformer backbone unifies simulation, PID, and noise filtering for the GlueX DIRC detector and matches or exceeds traditional geometrical and prior deep-learning methods across kinematics.