Accelerating the solution of nonlinear partial differential equations (PDEs) while maintaining accuracy at coarse spatiotemporal resolution remains a key challenge in scientific computing. Physics-informed machine learning (ML) methods such as Physics-Informed Neural Networks (PINNs) introduce prior knowledge through loss functions to ensure physical consistency, but their "soft constraints" are usually not strictly satisfied. Here, we propose LaPON, an operator network inspired by the Lagrange's mean value theorem, which embeds prior knowledge directly into the neural network architecture instead of the loss function, making the neural network naturally satisfy the given constraints. This is a hybrid framework that combines neural operators with traditional numerical methods, where neural operators are used to compensate for the effect of discretization errors on the analytical scale in under-resolution simulations. As evaluated on turbulence problem modeled by the Navier-Stokes equations (NSE), the multiple time step extrapolation accuracy and stability of LaPON exceed the direct numerical simulation baseline at 8x coarser grids and 8x larger time steps, while achieving a vorticity correlation of more than 0.98 with the ground truth. It is worth noting that the model can be well generalized to unseen flow states, such as turbulence with different forcing, without retraining. In addition, with the same training data, LaPON's comprehensive metrics on the out-of-distribution test set are at least approximately twice as good as two popular ML baseline methods. By combining numerical computing with machine learning, LaPON provides a scalable and reliable solution for high-fidelity fluid dynamics simulation, showing the potential for wide application in fields such as weather forecasting and engineering design.

Equations, particularly differential equations, are fundamental for understanding natural phenomena and predicting complex dynamics across various scientific and engineering disciplines. However, the governing equations for many complex systems remain unknown due to intricate underlying mechanisms. Recent advancements in machine learning and data science offer a new paradigm for modeling unknown equations from measurement or simulation data. This paradigm shift, known as data-driven discovery or modeling, stands at the forefront of AI for science, with significant progress made in recent years. In this paper, we introduce a systematic framework for data-driven modeling of unknown equations using deep learning. This versatile framework is capable of learning unknown ODEs, PDEs, DAEs, IDEs, SDEs, reduced or partially observed systems, and non-autonomous differential equations. Based on this framework, we have developed Deep Unknown Equations (DUE), an open-source software package designed to facilitate the data-driven modeling of unknown equations using modern deep learning techniques. DUE serves as an educational tool for classroom instruction, enabling students and newcomers to gain hands-on experience with differential equations, data-driven modeling, and contemporary deep learning approaches such as FNN, ResNet, generalized ResNet, operator semigroup networks (OSG-Net), and Transformers. Additionally, DUE is a versatile and accessible toolkit for researchers across various scientific and engineering fields. It is applicable not only for learning unknown equations from data but also for surrogate modeling of known, yet complex, equations that are costly to solve using traditional numerical methods. We provide detailed descriptions of DUE and demonstrate its capabilities through diverse examples, which serve as templates that can be easily adapted for other applications.

We present a novel convex formulation that weakly couples the Material Point Method (MPM) with rigid body dynamics through frictional contact, optimized for efficient GPU parallelization. Our approach features an asynchronous time-splitting scheme to integrate MPM and rigid body dynamics under different time step sizes. We develop a globally convergent quasi-Newton solver tailored for massive parallelization, achieving up to 500x speedup over previous convex formulations without sacrificing stability. Our method enables interactive-rate simulations of robotic manipulation tasks with diverse deformable objects including granular materials and cloth, with strong convergence guarantees. We detail key implementation strategies to maximize performance and validate our approach through rigorous experiments, demonstrating superior speed, accuracy, and stability compared to state-of-the-art MPM simulators for robotics. We make our method available in the open-source robotics toolkit, Drake.

Physics-based simulation is essential for developing and evaluating robot manipulation policies, particularly in scenarios involving deformable objects and complex contact interactions. However, existing simulators often struggle to balance computational efficiency with numerical accuracy, especially when modeling deformable materials with frictional contact constraints. We introduce an efficient subspace representation for the Incremental Potential Contact (IPC) method, leveraging model reduction to decrease the number of degrees of freedom. Our approach decouples simulation complexity from the resolution of the input model by representing elasticity in a low-resolution subspace while maintaining collision constraints on an embedded high-resolution surface. Our barrier formulation ensures intersection-free trajectories and configurations regardless of material stiffness, time step size, or contact severity. We validate our simulator through quantitative experiments with a soft bubble gripper grasping and qualitative demonstrations of placing a plate on a dish rack. The results demonstrate our simulator's efficiency, physical accuracy, computational stability, and robust handling of frictional contact, making it well-suited for generating demonstration data and evaluating downstream robot training applications.

However, it is still challenging to solve practical problems such as blood flows, atmospheric and ocean currents, wildfires, and wind turbines because of their multiscale nature. Resolving all scales is computationally infeasible. As a result, physical modeling is typically carried out on a coarse grid using the appropriate subgrid-scale (SGS) models. For example, large eddy simulation (LES) resolves large-scale turbulent motion on a grid, which carries most of the flow energy, while modeling the small scales that have relatively little influence on the mean flow [8]. The goal of SGS models is to capture the effect of the small-scale structures that cannot be resolved in the grid on the resolved scales and to guarantee numerical stability [9]. The static Smagorinsky model [10] and dynamic Smagorinsky model [11], which predict the dissipation of SGS energy, are the most widely used SGS models for turbulence. In high-order DG methods, both Collis [12] and Sengupta et al. [13] successfully used the static Smagorinksy model and dynamic Smagorinsky model, respectively. However, these Smagorinsky models perform poorly for certain flows [14, 15] because they are based on the assumption that eddy viscosity is always purely dissipative and thus are unable to account for energy flow from small scales to large scales (backscatter) [16, 11]. Alternatively, numerical dissipation can be used for modeling unresolved scales as an implicit SGS model.

The ability to accurately approximate trajectories of dynamical systems enables their analysis, prediction, and control. Neural network (NN)-based approximations have attracted significant interest due to fast evaluation with good accuracy over long integration time steps. In contrast to established numerical approximation schemes such as Runge-Kutta methods, the estimation of the error of the NN-based approximations proves to be difficult. In this work, we propose to use the NN's predictions in a high-order implicit Runge-Kutta (IRK) method. The residuals in the implicit system of equations can be related to the NN's prediction error, hence, we can provide an error estimate at several points along a trajectory. We find that this error estimate highly correlates with the NN's prediction error and that increasing the order of the IRK method improves this estimate. We demonstrate this estimation methodology for Physics-Informed Neural Network (PINNs) on the logistic equation as an illustrative example and then apply it to a four-state electric generator model that is regularly used in power system modelling.

Fast, accurate, and generalizable simulations are a key enabler of modern advances in robot design and control. However, existing simulation frameworks in robotics either model rigid environments and mechanisms only, or if they include flexible or soft structures, suffer significantly in one or more of these performance areas. To close this "sim2real" gap, we introduce DisMech, a simulation environment that models highly dynamic motions of rod-like soft continuum robots and structures, quickly and accurately, with arbitrary connections between them. Our methodology combines a fully implicit discrete differential geometry-based physics solver with fast and accurate contact handling, all in an intuitive software interface. Crucially, we propose a gradient descent approach to easily map the motions of hardware robot prototypes to control inputs in DisMech. We validate DisMech through several highly-nuanced soft robot simulations while demonstrating an order of magnitude speed increase over previous state of the art. Our real2sim validation shows high physical accuracy versus hardware, even with complicated soft actuation mechanisms such as shape memory alloy wires. With its low computational cost, physical accuracy, and ease of use, DisMech can accelerate translation of sim-based control for both soft robotics and deformable object manipulation.

We present a framework that enables to write a family of convex approximations of complex contact models. Within this framework, we show that we can incorporate well established and experimentally validated contact models such as the Hunt & Crossley model. Moreover, we show how to incorporate Coulomb's law and the principle of maximum dissipation using a regularized model of friction. Contrary to common wisdom that favors the use of rigid contact models, our convex formulation is robust and performant even at high stiffness values far beyond that of materials such as steel. Therefore, the same formulation enables the modeling of compliant surfaces such as rubber gripper pads or robot feet as well as hard objects. We characterize and evaluate our approximations in a number of tests cases. We report their properties and highlight limitations. Finally, we demonstrate robust simulation of robotic tasks at interactive rates, with accurately resolved stiction and contact transitions, as required for meaningful sim-to-real transfer. Our method is implemented in the open source robotics toolkit Drake.

Recently, optimal time variable learning in deep neural networks (DNNs) was introduced in Antil, Díaz, Herberg, 2022. In this manuscript we extend the concept by introducing a regularization term that directly relates to the time horizon in discrete dynamical systems. Furthermore, we propose an adaptive pruning approach for Residual Neural Networks (ResNets), which reduces network complexity without compromising expressiveness, while simultaneously decreasing training time. The results are illustrated by applying the proposed concepts to classification tasks on the well known MNIST and Fashion MNIST data sets. Our PyTorch code is available on https://github.com/