Grand Canonical Generators
cs.LG, stat.ML
Submitted: 2026-09-30
Updated: 2026-10-06
Terminology
Sources
- Shoot from the HIP: Hessian Interatomic Potentials without derivatives
- M\=oLe-{\Lambda}: Learning the Coupled-Cluster Response State for Energies, Gradients, and Properties
- Scalable Autoregressive 3D Molecule Generation
- Scaling Autoregressive Models for Lattice Thermodynamics
- Derivative Informed Learning of Exchange-Correlation Functionals
- Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport
- Boltzmann generators for amorphous particle systems
- Boltzmann Generators for Condensed Matter via Riemannian Flow Matching
- Grand canonical generative diffusion model for crystalline phases and grain boundaries
- Few-Step Boltzmann Generators via Scalable Likelihood Flow Maps
- Set Flow: A Permutation Invariant Normalizing Flow
- Autoregressive Boltzmann Generators
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