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: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.
By Jason Sulskis, Sathya Ravi
arXiv:2510. 22778v3 Announce Type: replace-cross Abstract: We develop a free-probabilistic framework for denoising diffusion, in which the data is a self-adjoint operator and its law a spectral distribution.
By Swagatam Das
arXiv:2608.25279v1 Announce Type: cross
Abstract: The OBABO and BAOAB schemes and the other standard Strang splittings of kinetic (underdamped) Langevin dynamics are widely used Markov chain Monte Ca...
By Nawaf Bou-Rabee
The paper introduces a probabilistic generative framework called Schr"odinger Bridges on Lie Group Manifolds, enabling direct modeling of non‑Euclidean data without flattening or coordinate inconsistencies. It develops two computational realizations—Wrapped‑Kernel Bridge Calibration for compact Abelian groups and Reciprocal Conditional‑Control Bridge Matching for compact non‑Abelian groups—while providing a modular error bound that separates various sources of approximation error. Experiments on protein, RNA torsions, SO(3), U(n), and protein conformational pathways demonstrate the method’s feasibility and consistency.
By Shizhe Zhang, Mingyang Zhao, Lei Ma
arXiv:2608.29302v1 Announce Type: new
Abstract: Open quantum systems lose energy and phase coherence through different dissipative processes, but these processes can produce overlapping dynamical sig...
By Yujun Ji, Somyajit Chakraborty