arXiv Machine Learning

GENERIC-FNO: Embedding Energy Conservation and Entropy Production into Fourier Neural Operators

arXiv:2606. 08343v1 Announce Type: new Abstract: We introduce GENERIC-FNO, the first neural operator to embed the full GENERIC (metriplectic) structure of nonequilibrium thermodynamics -- reversible, energy-conserving dynamics and irreversible, entropy-producing dynamics coupled through the degeneracy conditions -- directly in function space.

arXiv Machine Learning
5d ago

Structure-preserving uncertainty quantification for GENERIC dynamics

arXiv:2608. 12624v1 Announce Type: new Abstract: Structure-preserving machine learning embeds physical structure directly into model architectures, yet uncertainty quantification (UQ) for such hard-constrained models remains limited because standard UQ methods may violate the encoded admissibility conditions, require architectural modifications, or impose substantial computational costs.

By Zequn He, Celia Reina
arXiv Machine Learning
Jun 26

Symplectic Neural Networks for learning Generalized Hamiltonians

arXiv:2606. 27029v1 Announce Type: new Abstract: Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency.

By Harsh Choudhary, Vyacheslav Kungurtsev, Chandan Gupta, Melvin Leok, Georgios Korpas
arXiv Machine Learning
Jul 28

Stochastic Counterdiabatic Driving via Biorthogonal Liouvillian Eigenmodes

arXiv:2607. 24393v1 Announce Type: cross Abstract: Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality.

By Sandeep Suresh Cranganore, Sebastian Lehner, Johannes Brandstetter, Max Welling
Hugging Face Trending Papers
Jul 27

Stochastic Counterdiabatic Driving via Biorthogonal Liouvillian Eigenmodes

Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality. Escorted free energy simulations address the non-adiabatic lag by engineering control fields $\mathbf{u}$ that eliminate the lag, enforcing the trajectory-wise equality $\mathcal{W}_\mathbf{u} = Δ\mathcal{F}$, and yielding zero-variance estimators.

arXiv AI
Aug 6

The Hamilton-Jacobi Theory of Deep Learning

arXiv:2605. 28983v2 Announce Type: replace-cross Abstract: In this paper, training a neural network is identified, exactly, as a search through Hamilton--Jacobi initial-value problems: each gradient step selects the initial data of a viscous Hamilton--Jacobi equation whose Hopf--Cole propagator best fits the observations; at inference, the input is the spatial point at which that solution is evaluated and the initial condition is already encoded in the weights.

By Jose Marie Antonio Mi\~noza, Erika Fille T. Legara, Christopher P. Monterola