Physics-informed neural networks (PINNs) are neural networks (NNs) that directly encode model equations, like Partial Differential Equations (PDEs), in the network itself. While most of the PINN algorithms in the literature minimize the local residual of the governing equations, there are energy-based approaches that take a different path by minimizing the variational energy of the model. We show that in the case of the steady thermal equation weakly coupled to magnetic equation, the energy-based approach displays multiple advantages compared to the standard residual-based PINN: it is more computationally efficient, it requires a lower order of derivatives to compute, and it involves less hyperparameters. The analyzed benchmark problem is the optimal design of an inductor for the controlled heating of a graphite plate. The optimized device is designed involving a multi-physics problem: a time-harmonic magnetic problem and a steady thermal problem. For the former, a deep neural network solving the direct problem is supervisedly trained on Finite Element Analysis (FEA) data. In turn, the solution of the latter relies on a hypernetwork that takes as input the inductor geometry parameters and outputs the model weights of an energy-based PINN (or ePINN). Eventually, the ePINN predicts the temperature field within the graphite plate.
Reservoir computing is a machine learning framework that has been shown to be able to replicate the chaotic attractor, including the fractal dimension and the entire Lyapunov spectrum, of the dynamical system on which it is trained. We quantitatively relate the generalized synchronization dynamics of a driven reservoir during the training stage to the performance of the trained reservoir computer at the attractor reconstruction task. We show that, in order to obtain successful attractor reconstruction and Lyapunov spectrum estimation, the largest conditional Lyapunov exponent of the driven reservoir must be significantly more negative than the most negative Lyapunov exponent of the target system. We also find that the maximal conditional Lyapunov exponent of the reservoir depends strongly on the spectral radius of the reservoir adjacency matrix, and therefore, for attractor reconstruction and Lyapunov spectrum estimation, small spectral radius reservoir computers perform better in general. Our arguments are supported by numerical examples on well-known chaotic systems.
Deep learning enables the modelling of high-resolution histopathology whole-slide images (WSI). Weakly supervised learning of tile-level data is typically applied for tasks where labels only exist on the patient or WSI level (e.g. patient outcomes or histological grading). In this context, there is a need for improved spatial interpretability of predictions from such models. We propose a novel method, Wsi rEgion sElection aPproach (WEEP), for model interpretation. It provides a principled yet straightforward way to establish the spatial area of WSI required for assigning a particular prediction label. We demonstrate WEEP on a binary classification task in the area of breast cancer computational pathology. WEEP is easy to implement, is directly connected to the model-based decision process, and offers information relevant to both research and diagnostic applications.
Decision making and learning in the presence of uncertainty has attracted significant attention in view of the increasing need to achieve robust and reliable operations. In the case where uncertainty stems from the presence of adversarial attacks this need is becoming more prominent. In this paper we focus on linear and nonlinear classification problems and propose a novel adversarial training method for robust classifiers, inspired by Support Vector Machine (SVM) margins. We view robustness under a data driven lens, and derive finite sample complexity bounds for both linear and non-linear classifiers in binary and multi-class scenarios. Notably, our bounds match natural classifiers' complexity. Our algorithm minimizes a worst-case surrogate loss using Linear Programming (LP) and Second Order Cone Programming (SOCP) for linear and non-linear models. Numerical experiments on the benchmark MNIST and CIFAR10 datasets show our approach's comparable performance to state-of-the-art methods, without needing adversarial examples during training. Our work offers a comprehensive framework for enhancing binary linear and non-linear classifier robustness, embedding robustness in learning under the presence of adversaries.
Parameters of differential equations are essential to characterize intrinsic behaviors of dynamic systems. Numerous methods for estimating parameters in dynamic systems are computationally and/or statistically inadequate, especially for complex systems with general-order differential operators, such as motion dynamics. This article presents Green's matching, a computationally tractable and statistically efficient two-step method, which only needs to approximate trajectories in dynamic systems but not their derivatives due to the inverse of differential operators by Green's function. This yields a statistically optimal guarantee for parameter estimation in general-order equations, a feature not shared by existing methods, and provides an efficient framework for broad statistical inferences in complex dynamic systems.
We identify reduced order models (ROM) of forced systems from data using invariant foliations. The forcing can be external, parametric, periodic or quasi-periodic. The process has four steps: 1. identify an approximate invariant torus and the linear dynamics about the torus; 2. identify a globally defined invariant foliation about the torus; 3. identify a local foliation about an invariant manifold that complements the global foliation 4. extract the invariant manifold as the leaf going through the torus and interpret the result. We combine steps 2 and 3, so that we can track the location of the invariant torus and scale the invariance equations appropriately. We highlight some fundamental limitations of invariant manifolds and foliations when fitting them to data, that require further mathematics to resolve.
Bayesian approaches for training deep neural networks (BNNs) have received significant interest and have been effectively utilized in a wide range of applications. There have been several studies on the properties of posterior concentrations of BNNs. However, most of these studies only demonstrate results in BNN models with sparse or heavy-tailed priors. Surprisingly, no theoretical results currently exist for BNNs using Gaussian priors, which are the most commonly used one. The lack of theory arises from the absence of approximation results of Deep Neural Networks (DNNs) that are non-sparse and have bounded parameters. In this paper, we present a new approximation theory for non-sparse DNNs with bounded parameters. Additionally, based on the approximation theory, we show that BNNs with non-sparse general priors can achieve near-minimax optimal posterior concentration rates to the true model.
In many communication contexts, the capabilities of the involved actors cannot be known beforehand, whether it is a cell, a plant, an insect, or even a life form unknown to Earth. Regardless of the recipient, the message space and time scale could be too fast, too slow, too large, or too small and may never be decoded. Therefore, it pays to devise a way to encode messages agnostic of space and time scales. We propose the use of fractal functions as self-executable infinite-frequency carriers for sending messages, given their properties of structural self-similarity and scale invariance. We call it `fractal messaging'. Starting from a spatial embedding, we introduce a framework for a space-time scale-free messaging approach to this challenge. When considering a space and time-agnostic framework for message transmission, it would be interesting to encode a message such that it could be decoded at several spatio-temporal scales. Hence, the core idea of the framework proposed herein is to encode a binary message as waves along infinitely many frequencies (in power-like distributions) and amplitudes, transmit such a message, and then decode and reproduce it. To do so, the components of the Weierstrass function, a known fractal, are used as carriers of the message. Each component will have its amplitude modulated to embed the binary stream, allowing for a space-time-agnostic approach to messaging.
Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.
Ever since the seminal work of R. A. Fisher and F. Yates, factorial designs have been an important experimental tool to simultaneously estimate the effects of multiple treatment factors. In factorial designs, the number of treatment combinations grows exponentially with the number of treatment factors, which motivates the forward selection strategy based on the sparsity, hierarchy, and heredity principles for factorial effects. Although this strategy is intuitive and has been widely used in practice, its rigorous statistical theory has not been formally established. To fill this gap, we establish design-based theory for forward factor selection in factorial designs based on the potential outcome framework. We not only prove a consistency property for the factor selection procedure but also discuss statistical inference after factor selection. In particular, with selection consistency, we quantify the advantages of forward selection based on asymptotic efficiency gain in estimating factorial effects. With inconsistent selection in higher-order interactions, we propose two strategies and investigate their impact on subsequent inference. Our formulation differs from the existing literature on variable selection and post-selection inference because our theory is based solely on the physical randomization of the factorial design and does not rely on a correctly specified outcome model.
When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.