Search arXiv⌕ Search

arXiv · 2609.36487

TT-FDTD: Tensor Train Accelerated Three-Dimensional FDTD With Logarithmic Cost of Spatial Operators

Abstract

Quantized tensor-train (QTT) compression is incorporated into a full-vector three-dimensional scattered-field finite-difference time-domain (FDTD) formulation on uniform Yee grids. All six electromagnetic-field components, material-dependent update coefficients, equivalent-current sources, and staggered finite-difference operators are represented in compatible QTT form. Gaussian regularization of voxelized material interfaces is used to reduce the coefficient ranks generated by abrupt dielectric and conductivity transitions. The formulation is evaluated for an anatomically heterogeneous human-head model and a homogeneous dielectric sphere on grids containing up to $512^3$ spatial cells. The reported results show that interface smoothing substantially reduces material-coefficient ranks and that the TT--FDTD solution reproduces the full-grid transient fields with pointwise absolute errors on the order of $10^{-4}$ in the examined slices. Compared with conventional FDTD, the tensor representation greatly reduces storage at fine discretizations, although tensor contractions and recompression introduce additional per-step computational cost. These results demonstrate the feasibility and memory--time tradeoff of QTT-accelerated three-dimensional FDTD for large structured-grid simulations.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Chris Nguyen, Vladimir Okhmatovski. 2026-09-29. TT-FDTD: Tensor Train Accelerated Three-Dimensional FDTD With Logarithmic Cost of Spatial Operators. https://arxiv.org/abs/2609.36487

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Atomic Design Transformer: Scaffold-Conditioned 3D Molecule Generation with xTB-Verified Reinforcement Learning

We present an autoregressive 3D-molecule generator with SE(3)-invariant tokenization, the Atomic Design Transformer (ADT). ADT places atoms one at a time, autoregressively. SE(3) invariance is achieved by tokenization: each new atom's position is encoded in the local coordinate frame of a previously placed atom. The backbone is a plain causal transformer. The token stream fully specifies a 3D structure together with its chemical-bond graph G, without any bond-order assignment. The model emits heavy-atom skeletons; hydrogens are added by separate learned models before the xTB relaxation. To score generated molecules we introduce the xTB topology-preservation rate (XTP): the fraction of molecules for which an xTB GFN2 relaxation preserves G specified by the token stream. For XTP-accepted molecules we also report the relaxation energy and the root mean square of the atomic displacement (RMSD). We evaluate two ADT models. The first is ADT pretrained on the GEOM-Drugs $\le\!30$-heavy-atom dataset; we benchmark scaffold-conditioned 3D generation across seven drug-like scaffolds from the model. It reaches an XTP of ${\sim}55\%$ and a valid-molecule yield $N^{\mathrm{gen}}/N$ of ${\sim}53\%$, where $N^{\mathrm{gen}}/N$ is the fraction of samples that are distinct, topology-preserving, and RDKit-readable. The second model continues from the first by reinforcement learning against the verifiable xTB reward (RLVR), using no external molecules. RLVR raises XTP to ${\sim}98\%$ and $N^{\mathrm{gen}}/N$ to ${\sim}95\%$, while approximately preserving the GEOM-Drugs size and composition distributions. Finally, we present an Inverse-Kinematics Transformer that recovers XTP for large molecules, where discretization error accumulates. ADT thus enables direct 3D generation.

physics.comp-ph↗

Label-Permutation Symmetry and Stability in Oscillator Potts Machines

Oscillator Potts machines (OPMs) provide a physics-inspired, energy-minimization framework for solving combinatorial optimization problems described by the $q$-state Potts Hamiltonian. Although OPMs may be viewed as multistate extensions of oscillator Ising machines (OIMs), here, we show that they exhibit dynamical properties absent in the binary case. Specifically, we derive a configuration-dependent local-stability condition for a recently proposed multiharmonic OPM formulation and show that configurations with the same Potts energy need not be dynamically equivalent. In particular, for $q\geq4$, permutations of the Potts labels can alter the Jacobian spectrum and, consequently, the regularization strength required to locally stabilize a given Potts configuration. Thus, different phase encodings of the same Potts solution can exhibit different local stability properties despite having identical Potts energies.

physics.comp-ph↗

MRX: A differentiable 3D MHD equilibrium solver without nested flux surfaces

This article introduces the 3D magnetohydrodynamic (MHD) equilibrium solver MRX, based on relaxation of a magnetic field to a lower energy equilibrium state via admissible variations. We describe the mathematical theory behind this method and discuss what can be transferred to the fully discrete setting of a relaxation code. Our code is designed to address a number of traditional challenges to 3D MHD equilibrium solvers: enforcing physical constraints such as divergence-free magnetic field, fast convergence, handling strongly shaped polar geometries, and controlling topology changes of the magnetic field. Building on the JAX framework, we address questions of computational efficiency on modern computing architectures, user accessibility, and differentiability at each step. The solver is verified on manufactured vacuum solutions and against the vacuum field of a VMEC equilibrium of a quasi-axisymmetric stellarator. Automatic differentiation with respect to the boundary shape is demonstrated by optimizing stellarator shape for quasi-axisymmetry in vacuum. Relaxation is demonstrated on a finite-$β$ configuration, where we study $h$ refinement and the targeted formation of magnetic island chains at rational surfaces following an energy criterion. An inexact Newton method enables the computation of high-resolution finite-$β$ equilibria with islands and chaos in minutes on a single GPU.

physics.comp-ph↗