We propose a complement to constitutive modeling that augments neural networks with material principles to capture anisotropy and inelasticity at finite strains. The key element is a dual potential that governs dissipation, consistently incorporates anisotropy, and-unlike conventional convex formulations-satisfies the dissipation inequality without requiring convexity. Our neural network architecture employs invariant-based input representations in terms of mixed elastic, inelastic and structural tensors. It adapts Input Convex Neural Networks, and introduces Input Monotonic Neural Networks to broaden the admissible potential class. To bypass exponential-map time integration in the finite strain regime and stabilize the training of inelastic materials, we employ recurrent Liquid Neural Networks. The approach is evaluated at both material point and structural scales. We benchmark against recurrent models without physical constraints and validate predictions of deformation and reaction forces for unseen boundary value problems. In all cases, the method delivers accurate and stable performance beyond the training regime. The neural network and finite element implementations are available as open-source and are accessible to the public via https://doi.org/10.5281/zenodo.17199965.

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation trajectory as a function of the iterations, the proposed approach devises a surrogate version of the entire optimisation pipeline. First, the method predicts a quasi-optimal topology for a given problem configuration as a surrogate model of high-fidelity topologies optimised with the homogenisation method. This is achieved by means of a feed-forward net learning the mapping between the input parameters characterising the system setup and a latent space determined by encoder/decoder blocks reducing the dimensionality of the parametric topology optimisation problem and reconstructing a high-dimensional representation of the topology. Then, the predicted topology is used as an educated initial guess for a computationally efficient algorithm penalising the intermediate values of the design variable, while enforcing the governing equations of the system. This step allows the method to correct potential errors introduced by the surrogate model, eliminate artifacts, and refine the design in order to produce topologies consistent with the underlying physics. Different architectures are proposed and the approximation and generalisation capabilities of the resulting models are numerically evaluated. The quasi-optimal topologies allow to outperform the high-fidelity optimiser by reducing the average number of optimisation iterations by $53\%$ while achieving discrepancies below $4\%$ in the optimal value of the objective functional, even in the challenging scenario of testing the model to extrapolate beyond the training and validation domain.

Accurate numerical solutions of partial differential equations are essential in many scientific fields but often require computationally expensive solvers, motivating reduced-order models (ROMs). Latent Space Dynamics Identification (LaSDI) is a data-driven ROM framework that combines autoencoders with equation discovery to learn interpretable latent dynamics. However, enforcing latent dynamics during training can compromise reconstruction accuracy of the model for simulation data. We introduce multi-stage LaSDI (mLaSDI), a framework that improves reconstruction and prediction accuracy by sequentially learning additional decoders to correct residual errors from previous stages. Applied to the 1D-1V Vlasov equation, mLaSDI consistently outperforms standard LaSDI, achieving lower prediction errors and reduced training time across a wide range of architectures.

Physics-Informed Neural Networks offer a powerful framework for solving PDEs by embedding physical laws into the learning process. However, when applied to domains with irregular boundaries, PINNs often suffer from instability and slow convergence, which stems from (1) inconsistent normalization due to geometric anisotropy, (2) inaccurate boundary enforcements, and (3) imbalanced loss term competition. A common workaround is to map the domain to a regular space. Yet, conventional mapping methods rely on case-specific meshes, define Jacobians at pre-specified fixed nodes, reformulate PDEs via the chain rule-making them incompatible with modern automatic differentiation, tensor-based frameworks. To bridge this gap, we propose JacobiNet, a learning-based coordinate-transformed PINN framework that unifies domain mapping and PDE solving within an end-to-end differentiable architecture. Leveraging lightweight MLPs, JacobiNet learns continuous, differentiable mappings, enables direct Jacobian computation via autograd, shares computation graph with downstream PINNs. Its continuous nature and built-in Jacobian eliminate the need for meshing, explicit Jacobians computation/ storage, and PDE reformulation, while unlocking geometric-editing operations, reducing the mapping cost. Separating physical modeling from geometric complexity, JacobiNet (1) addresses normalization challenges in the original anisotropic coordinates, (2) facilitates hard constraints of boundary conditions, and (3) mitigates the long-standing imbalance among loss terms. Evaluated on various PDEs, JacobiNet reduces the L2 error from 0.11-0.73 to 0.01-0.09. In vessel-like domains with varying shapes, JacobiNet enables millisecond-level mapping inference for unseen geometries, improves prediction accuracy by an average of 3.65*, while delivering over 10* speed up-demonstrating strong generalization, accuracy, and efficiency.

Solving complex partial differential equations is vital in the physical sciences, but often requires computationally expensive numerical methods. Reduced-order models (ROMs) address this by exploiting dimensionality reduction to create fast approximations. While modern ROMs can solve parameterized families of PDEs, their predictive power degrades over long time horizons. We address this by (1) introducing a flexible, high-order, yet inexpensive finite-difference scheme and (2) proposing a Rollout loss that trains ROMs to make accurate predictions over arbitrary time horizons. We demonstrate our approach on the 2D Burgers equation.

This paper presents a data-driven, nested Operator Inference (OpInf) approach for learning physics-informed reduced-order models (ROMs) from snapshot data of high-dimensional dynamical systems. The approach exploits the inherent hierarchy within the reduced space to iteratively construct initial guesses for the OpInf learning problem that prioritize the interactions of the dominant modes. The initial guess computed for any target reduced dimension corresponds to a ROM with provably smaller or equal snapshot reconstruction error than with standard OpInf. Moreover, our nested OpInf algorithm can be warm-started from previously learned models, enabling versatile application scenarios involving dynamic basis and model form updates. We demonstrate the performance of our algorithm on a cubic heat conduction problem, with nested OpInf achieving a four times smaller error than standard OpInf at a comparable offline time. Further, we apply nested OpInf to a large-scale, parameterized model of the Greenland ice sheet where, despite model form approximation errors, it learns a ROM with, on average, 3% error and computational speed-up factor above 19,000.

The optimal Petrov-Galerkin formulation to solve partial differential equations (PDEs) recovers the best approximation in a specified finite-dimensional (trial) space with respect to a suitable norm. However, the recovery of this optimal solution is contingent on being able to construct the optimal weighting functions associated with the trial basis. While explicit constructions are available for simple one- and two-dimensional problems, such constructions for a general multidimensional problem remain elusive. In the present work, we revisit the optimal Petrov-Galerkin formulation through the lens of deep learning. We propose an operator network framework called Petrov-Galerkin Variationally Mimetic Operator Network (PG-VarMiON), which emulates the optimal Petrov-Galerkin weak form of the underlying PDE. The PG-VarMiON is trained in a supervised manner using a labeled dataset comprising the PDE data and the corresponding PDE solution, with the training loss depending on the choice of the optimal norm. The special architecture of the PG-VarMiON allows it to implicitly learn the optimal weighting functions, thus endowing the proposed operator network with the ability to generalize well beyond the training set. We derive approximation error estimates for PG-VarMiON, highlighting the contributions of various error sources, particularly the error in learning the true weighting functions. Several numerical results are presented for the advection-diffusion equation to demonstrate the efficacy of the proposed method. By embedding the Petrov-Galerkin structure into the network architecture, PG-VarMiON exhibits greater robustness and improved generalization compared to other popular deep operator frameworks, particularly when the training data is limited.

We present a methodology for designing a generalized dual potential, or pseudo potential, for inelastic Constitutive Artificial Neural Networks (iCANNs). This potential, expressed in terms of stress invariants, inherently satisfies thermodynamic consistency for large deformations. In comparison to our previous work, the new potential captures a broader spectrum of material behaviors, including pressure-sensitive inelasticity. To this end, we revisit the underlying thermodynamic framework of iCANNs for finite strain inelasticity and derive conditions for constructing a convex, zero-valued, and non-negative dual potential. To embed these principles in a neural network, we detail the architecture's design, ensuring a priori compliance with thermodynamics. To evaluate the proposed architecture, we study its performance and limitations discovering visco-elastic material behavior, though the method is not limited to visco-elasticity. In this context, we investigate different aspects in the strategy of discovering inelastic materials. Our results indicate that the novel architecture robustly discovers interpretable models and parameters, while autonomously revealing the degree of inelasticity. The iCANN framework, implemented in JAX, is publicly accessible at https://doi.org/10.5281/zenodo.14894687.

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly turbulent flows are not feasible in the foreseeable future, and reduced-order models must capture dynamics that involve interactions across scales. In the present work, we propose a novel framework, Graph-based Learning of Effective Dynamics (Graph-LED), that leverages graph neural networks (GNNs), as well as an attention-based autoregressive model, to extract the effective dynamics from a small amount of simulation data. GNNs represent flow fields on unstructured meshes as graphs and effectively handle complex geometries and non-uniform grids. The proposed method combines a GNN based, dimensionality reduction for variable-size unstructured meshes with an autoregressive temporal attention model that can learn temporal dependencies automatically. We evaluated the proposed approach on a suite of fluid dynamics problems, including flow past a cylinder and flow over a backward-facing step over a range of Reynolds numbers. The results demonstrate robust and effective forecasting of spatio-temporal physics; in the case of the flow past a cylinder, both small-scale effects that occur close to the cylinder as well as its wake are accurately captured.

Physics-Informed Neural Networks (PINNs) have emerged as a powerful method for solving both forward and inverse problems involving Partial Differential Equations (PDEs) [1-4]. PINNs leverage the expressive power of neural networks to minimize a loss function that enforces the governing PDEs and boundary/initial conditions. This approach has been widely applied across various domains, including heat transfer [5-7], solid mechanics [8-10], incompressible flows [11-13], stochastic differential equations [14, 15], and uncertainty quantification [16, 17]. Despite their success, PINNs face significant challenges and often struggle to solve certain classes of problems [18, 19]. One major difficulty arises in scenarios where the solution exhibits rapid changes, such as in'stiff' PDEs [20], leading to issues with convergence and accuracy.