Discrete energy as an exact label-free training objective for finite-element surrogates
Authors: Ruifeng Cao, Xidan Song
Organizations: The University of Manchester · The University of Manchester, Manchester, United Kingdom · Wuhan University · Wuhan University, Wuhan, China
Abstract
Supervised training of finite-element (FE) surrogate models requires reference solutions, and each reference solution is obtained by solving the system that the surrogate is intended to replace. The assembled discrete potential energy provides a training signal that requires no reference solution. This note records, with proofs, the identities that make this signal exact for linear elastostatics: the difference between the energy of a prediction and the energy of the reference solution equals one half of the squared stiffness-norm error, and the gradient of the energy equals the stiffness-weighted error. Label-free discrete-energy minimisation and supervised regression in the stiffness norm therefore have the same unique minimiser and identical gradients at every point. Around this central result, the note states a conditioning lemma that bounds the displacement error by the energy gap, a modewise contraction identity that explains why the Euclidean displacement error is an unsuitable primary metric, the Chebyshev bound that governs conjugate-gradient post-processing of surrogate predictions, and a conditional latent-separation proposition for joint-embedding predictive architecture (JEPA) pretraining on a shared stiffness operator, with an explicit numerical counterexample that delimits its scope. Every claim with numeric content is implemented as an executable falsification check; the checks were executed twice, on synthetic test problems and on a probe set of 16 instances from the validation split of a pre-registered experimental run, and every inequality holds, with the measured tightness reported. A closing section explains why the construction does not extend to elastodynamics through direct minimisation of the action functional, and which time-discrete formulation restores exactness.
This work aims to develop a fast and physically consistent surrogate model for real-time structural health monitoring of fractured elastic domains. We propose a physics-informed DeepONet framework that predicts displacement fields from both boundary conditions and fracture geometry, using a dedicated encoding strategy for the latter and without relying on finite-element-generated training data. The traction-free condition on the fracture boundary is imposed weakly through a localized penalty term. The presented numerical example focuses on one representative fracture geometry, demonstrating the feasibility of the formulation and laying the groundwork for extensions to surrogate modeling across diverse fracture geometries.
Neural surrogates are widely used in scientific machine learning for fast prediction of three-dimensional (3D) thermo-fluid fields. However, generating training data using conventional numerical solvers often incurs substantial computational and storage costs. We propose to train an attention graph neural network by minimizing the finite-volume method (FVM) residuals of the governing equations. These residuals are evaluated directly on the mesh, requiring no labeled data. We evaluate the trained surrogates against computational fluid dynamics (CFD) references and a data-supervised baseline across four scenarios. On the two steady-state benchmarks, the FVM-loss model achieves an all-field normalized root-mean-square error (nRMSE) of 2.3-2.8%. It demonstrates close agreement with the CFD references, including the buoyancy-energy coupling. On the two parametric transient cases, the FVM-loss model outperforms the supervised baseline in terms of accuracy, while avoiding the data-generation cost entirely. These results indicate that the FVM loss can provide a practical training signal for neural surrogates and reduce the model development cost.
Extending the neural-operator element method from individually trained, fixed-geometry neural elements to a library of reusable, geometry-parameterized element types fails structurally: a field-predicting operator trained by value regression induces an energy whose assembled Hessian is indefinite, and Newton converges to spurious minima (247% error) even with 1%-accurate field predictions. We introduce convex neural energy elements: each element exports a scalar energy E(g,U), architecturally convex in its boundary degrees of freedom U and smoothly parameterized by its geometry g, realized as a hypernetwork-generated positive-semidefinite quadratic form (an input-convex correction is reserved for non-quadratic physics). A regularization-nullspace principle--the regularizer's nullspace must contain the physics nullspace--removes an otherwise irreducible bias, and assembled elements inherit the classical guarantee that singular element stiffnesses yield a positive-definite global system. We prove conditional error bounds (energy-to-solution accuracy, element-count scaling, geometry generalization) and verify each experimentally. On heat conduction with elliptic holes, one trained element assembles into 2x2 to 8x8 grids and an L-shaped layout of unseen geometries at 0.6-1.0% relative L2 error, with 175x faster per-geometry setup for boundary-quantity workloads. A second trained element type mixes freely with the first in one monolithic assembly, and a three-dimensional instantiation reaches 0.23% on eight-element assemblies--the guarantees are type- and dimension-agnostic. A plane-strain elasticity element, whose physics nullspace is three-dimensional, lands on the analytically predicted regularization floors. Making the energy the learned object turns neural operators from single-use surrogates into reusable elements that inherit the assembly guarantees of the method they extend.