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Although distributed machine learning has opened up many new and exciting research frontiers, fragmentation of models and data across different machines, nodes, and sites still results in considerable communication overhead, impeding…
We proposed a framework for solving inverse problems in differential equations based on neural networks and automatic differentiation. Neural networks are used to approximate hidden fields. We analyze the source of errors in the framework…
Automatic differentiation, also known as backpropagation, AD, autodiff, or algorithmic differentiation, is a popular technique for computing derivatives of computer programs accurately and efficiently. Sometimes, however, the derivatives…
In this paper we use deep feedforward artificial neural networks to approximate solutions to partial differential equations in complex geometries. We show how to modify the backpropagation algorithm to compute the partial derivatives of the…
Researchers have developed neural network verification algorithms motivated by the need to characterize the robustness of deep neural networks. The verifiers aspire to answer whether a neural network guarantees certain properties with…
We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of forward-mode algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT…
We study the approximation of two-layer compositions $f(x) = g(\phi(x))$ via deep networks with ReLU activation, where $\phi$ is a geometrically intuitive, dimensionality reducing feature map. We focus on two intuitive and practically…
Deep neural networks often suffer from poor performance or even training failure due to the ill-conditioned problem, the vanishing/exploding gradient problem, and the saddle point problem. In this paper, a novel method by acting the…
Nowadays, neural networks are widely used in many applications as artificial intelligence models for learning tasks. Since typically neural networks process a very large amount of data, it is convenient to formulate them within the…
Deep neural networks work well at approximating complicated functions when provided with data and trained by gradient descent methods. At the same time, there is a vast amount of existing functions that programmatically solve different…
Automatic differentiation is involved for long in applied mathematics as an alternative to finite difference to improve the accuracy of numerical computation of derivatives. Each time a numerical minimization is involved, automatic…
This paper proposes a distributed algorithm for a network of agents to solve an optimization problem with separable objective function and locally coupled constraints. Our strategy is based on reformulating the original constrained problem…
Algorithmic differentiation (AD) allows exact computation of derivatives given only an implementation of an objective function. Although many AD tools are available, a proper and efficient implementation of AD methods is not…
Fixed-point (FP) lattice actions are classically perfect, i.e., they have continuum classical properties unaffected by discretization effects and are expected to have suppressed lattice artifacts at weak coupling. Therefore they provide a…
Two of the most important areas in computational finance: Greeks and, respectively, calibration, are based on efficient and accurate computation of a large number of sensitivities. This paper gives an overview of adjoint and automatic…
Significant theoretical work has established that in specific regimes, neural networks trained by gradient descent behave like kernel methods. However, in practice, it is known that neural networks strongly outperform their associated…
Fractional differential equations are powerful mathematical descriptors for intricate physical phenomena in a compact form. However, compared to integer ordinary or partial differential equations, solving fractional differential equations…
We derive an approximation error bound that holds simultaneously for a function and all its derivatives up to any prescribed order. The bounds apply to elementary functions, including multivariate polynomials, the exponential function, and…
We present a derivation of the gradients of feedforward neural networks using Fr\'echet calculus which is arguably more compact than the ones usually presented in the literature. We first derive the gradients for ordinary neural networks…
For successful deployment of deep neural networks on highly--resource-constrained devices (hearing aids, earbuds, wearables), we must simplify the types of operations and the memory/power resources used during inference. Completely avoiding…