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Big-data-based artificial intelligence (AI) supports profound evolution in almost all of science and technology. However, modeling and forecasting multi-physical systems remain a challenge due to unavoidable data scarcity and noise. Improving the generalization ability of neural networks by "teaching" domain knowledge and developing a new generation of models combined with the physical laws have become promising areas of machine learning research. Different from "deep" fully-connected neural networks embedded with physical information (PINN), a novel shallow framework named physics-informed convolutional network (PICN) is recommended from a CNN perspective, in which the physical field is generated by a deconvolution layer and a single convolution layer. The difference fields forming the physical operator are constructed using the pre-trained shallow convolution layer. An efficient linear interpolation network calculates the loss function involving boundary conditions and the physical constraints in irregular geometry domains. The effectiveness of the current development is illustrated through some numerical cases involving the solving (and estimation) of nonlinear physical operator equations and recovering physical information from noisy observations. Its potential advantage in approximating physical fields with multi-frequency components indicates that PICN may become an alternative neural network solver in physics-informed machine learning.

Determining process-structure-property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process-structure and structure-property linkages. In this work, we seek to learn a distribution of microstructure parameters that are consistent in the sense that the forward propagation of this distribution through a crystal plasticity finite element model (CPFEM) matches a target distribution on materials properties. This stochastic inversion formulation infers a distribution of acceptable/consistent microstructures, as opposed to a deterministic solution, which expands the range of feasible designs in a probabilistic manner. To solve this stochastic inverse problem, we employ a recently developed uncertainty quantification (UQ) framework based on push-forward probability measures, which combines techniques from measure theory and Bayes rule to define a unique and numerically stable solution. This approach requires making an initial prediction using an initial guess for the distribution on model inputs and solving a stochastic forward problem. To reduce the computational burden in solving both stochastic forward and stochastic inverse problems, we combine this approach with a machine learning (ML) Bayesian regression model based on Gaussian processes and demonstrate the proposed methodology on two representative case studies in structure-property linkages.

We present a complete numerical analysis for a general discretization of a coupled flow-mechanics model in fractured porous media, considering single-phase flows and including frictionless contact at matrix-fracture interfaces, as well as nonlinear poromechanical coupling. Fractures are described as planar surfaces, yielding the so-called mixed- or hybrid-dimensional models. Small displacements and a linear elastic behavior are considered for the matrix. The model accounts for discontinuous fluid pressures at matrix-fracture interfaces in order to cover a wide range of normal fracture conductivities. The numerical analysis is carried out in the Gradient Discretization framework, encompassing a large family of conforming and nonconforming discretizations. The convergence result also yields, as a by-product, the existence of a weak solution to the continuous model. A numerical experiment in 2D is presented to support the obtained result, employing a Hybrid Finite Volume scheme for the flow and second-order finite elements ($\mathbb P_2$) for the mechanical displacement coupled with face-wise constant ($\mathbb P_0$) Lagrange multipliers on fractures, representing normal stresses, to discretize the contact conditions.

Learning optimal control policies directly on physical systems is challenging since even a single failure can lead to costly hardware damage. Most existing learning methods that guarantee safety, i.e., no failures, during exploration are limited to local optima. A notable exception is the GoSafe algorithm, which, unfortunately, cannot handle high-dimensional systems and hence cannot be applied to most real-world dynamical systems. This work proposes GoSafeOpt as the first algorithm that can safely discover globally optimal policies for complex systems while giving safety and optimality guarantees. Our experiments on a robot arm that would be prohibitive for GoSafe demonstrate that GoSafeOpt safely finds remarkably better policies than competing safe learning methods for high-dimensional domains.

This paper presents a probabilistic extension of the well-known cellular automaton, Game of Life. In Game of Life, cells are placed in a grid and then watched as they evolve throughout subsequent generations, as dictated by the rules of the game. In our extension, called ProbLife, these rules now have probabilities associated with them. Instead of cells being either dead or alive, they are denoted by their chance to live. After presenting the rules of ProbLife and its underlying characteristics, we show a concrete implementation in ProbLog, a probabilistic logic programming system. We use this to generate different images, as a form of rule-based generative art.

Neural networks have shown great promises in planning, control, and general decision making for learning-enabled cyber-physical systems (LE-CPSs), especially in improving performance under complex scenarios. However, it is very challenging to formally analyze the behavior of neural network based planners for ensuring system safety, which significantly impedes their applications in safety-critical domains such as autonomous driving. In this work, we propose a hierarchical neural network based planner that analyzes the underlying physical scenarios of the system and learns a system-level behavior planning scheme with multiple scenario-specific motion-planning strategies. We then develop an efficient verification method that incorporates overapproximation of the system state reachable set and novel partition and union techniques for formally ensuring system safety under our physics-aware planner. With theoretical analysis, we show that considering the different physical scenarios and building a hierarchical planner based on such analysis may improve system safety and verifiability. We also empirically demonstrate the effectiveness of our approach and its advantage over other baselines in practical case studies of unprotected left turn and highway merging, two common challenging safety-critical tasks in autonomous driving.

Stiffener layout optimization of complex surfaces is fulfilled within the framework of topology optimization. A combined parameterization method is developed in two aspects. One is to parameterize the material distribution of the stiffener layout by means of B-spline. The other is to build the mapping relationship from the known 3D surface mesh of the thin-walled structure to its parametric domain by means of mesh parameterization. The influence of mesh parameterization upon the stiffener layout is discussed to reveal the matching issue of the combined parameterization. 3D complex surfaces represented by the triangular mesh can be dealt with even though analytical parametric equations are not available. Some numerical examples are solved to demonstrate the direct advantage and effectiveness of the proposed method.

With deep learning being gaining attention from the research community for prediction and control of real physical systems, learning important representations is becoming now more than ever mandatory. It is of extremely importance that deep learning representations are coherent with physics. When learning from discrete data this can be guaranteed by including some sort of prior into the learning, however not all discretization priors preserve important structures from the physics. In this paper we introduce Symplectic Momentum Neural Networks (SyMo) as models from a discrete formulation of mechanics for non-separable mechanical systems. The combination of such formulation leads SyMos to be constrained towards preserving important geometric structures such as momentum and a symplectic form and learn from limited data. Furthermore, it allows to learn dynamics only from the poses as training data. We extend SyMos to include variational integrators within the learning framework by developing an implicit root-find layer which leads to End-to-End Symplectic Momentum Neural Networks (E2E-SyMo). Through experimental results, using the pendulum and cartpole we show that such combination not only allows these models tol earn from limited data but also provides the models with the capability of preserving the symplectic form and show better long-term behaviour.

Physics-Informed Neural Networks (PINN) are neural networks (NNs) that encode model equations, like Partial Differential Equations (PDE), as a component of the neural network itself. PINNs are nowadays used to solve PDEs, fractional equations, and integral-differential equations. This novel methodology has arisen as a multi-task learning framework in which a NN must fit observed data while reducing a PDE residual. This article provides a comprehensive review of the literature on PINNs: while the primary goal of the study was to characterize these networks and their related advantages and disadvantages, the review also attempts to incorporate publications on a larger variety of issues, including physics-constrained neural networks (PCNN), where the initial or boundary conditions are directly embedded in the NN structure rather than in the loss functions. The study indicates that most research has focused on customizing the PINN through different activation functions, gradient optimization techniques, neural network structures, and loss function structures. Despite the wide range of applications for which PINNs have been used, by demonstrating their ability to be more feasible in some contexts than classical numerical techniques like Finite Element Method (FEM), advancements are still possible, most notably theoretical issues that remain unresolved.

Despite the considerable success of neural networks in security settings such as malware detection, such models have proved vulnerable to evasion attacks, in which attackers make slight changes to inputs (e.g., malware) to bypass detection. We propose a novel approach, \emph{Fourier stabilization}, for designing evasion-robust neural networks with binary inputs. This approach, which is complementary to other forms of defense, replaces the weights of individual neurons with robust analogs derived using Fourier analytic tools. The choice of which neurons to stabilize in a neural network is then a combinatorial optimization problem, and we propose several methods for approximately solving it. We provide a formal bound on the per-neuron drop in accuracy due to Fourier stabilization, and experimentally demonstrate the effectiveness of the proposed approach in boosting robustness of neural networks in several detection settings. Moreover, we show that our approach effectively composes with adversarial training.