On the Computational Cost and Complexity of Stochastic Inverse Solvers

The goal of this paper is to provide a starting point for investigations into a mainly underdeveloped area of research regarding the computational cost analysis of complex stochastic strategies for solving parametric inverse problems. This area has two main components: solving global optimization problems and solving forward problems (to evaluate the misfit function that we try to minimize). For the first component, we pay particular attention to genetic algorithms with heuristics and to multi-deme algorithms that can be modeled as ergodic Markov chains. We recall a simple method for evaluating the first hitting time for the single-deme algorithm and we extend it to the case of HGS, a multi-deme hierarchic strategy. We focus on the case in which at least the demes in the leaves are well tuned. Finally, we also express the problems of finding local and global optima in terms of a classic complexity theory. We formulate the natural result that finding a local optimum of a function is an NP-complete task, and we argue that finding a global optimum is a much harder, DP-complete, task. Furthermore, we argue that finding all global optima is, possibly, even harder (#P-hard) task. Regarding the second component of solving parametric inverse problems (i.e., regarding the forward problem solvers), we discuss the computational cost of hp-adaptive Finite Element solvers and their rates of convergence with respect to the increasing number of degrees of freedom. The presented results provide a useful taxonomy of problems and methods of studying the computational cost and complexity of various strategies for solving inverse parametric problems. Yet, we stress that our goal was not to deliver detailed evaluations for particular algorithms applied to particular inverse problems, but rather to try to identify possible ways of obtaining such results

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

Small steps and giant leaps: Minimal Newton solvers for Deep Learning

We propose a fast second-order method that can be used as a drop-in replacement for current deep learning solvers. Compared to stochastic gradient descent (SGD), it only requires two additional forward-mode automatic differentiation operations per iteration, which has a computational cost comparable to two standard forward passes and is easy to implement. Our method addresses long-standing issues with current second-order solvers, which invert an approximate Hessian matrix every iteration exactly or by conjugate-gradient methods, a procedure that is both costly and sensitive to noise. Instead, we propose to keep a single estimate of the gradient projected by the inverse Hessian matrix, and update it once per iteration. This estimate has the same size and is similar to the momentum variable that is commonly used in SGD. No estimate of the Hessian is maintained. We first validate our method, called CurveBall, on small problems with known closed-form solutions (noisy Rosenbrock function and degenerate 2-layer linear networks), where current deep learning solvers seem to struggle. We then train several large models on CIFAR and ImageNet, including ResNet and VGG-f networks, where we demonstrate faster convergence with no hyperparameter tuning. Code is available

A multi-resolution, non-parametric, Bayesian framework for identification of spatially-varying model parameters

This paper proposes a hierarchical, multi-resolution framework for the identification of model parameters and their spatially variability from noisy measurements of the response or output. Such parameters are frequently encountered in PDE-based models and correspond to quantities such as density or pressure fields, elasto-plastic moduli and internal variables in solid mechanics, conductivity fields in heat diffusion problems, permeability fields in fluid flow through porous media etc. The proposed model has all the advantages of traditional Bayesian formulations such as the ability to produce measures of confidence for the inferences made and providing not only predictive estimates but also quantitative measures of the predictive uncertainty. In contrast to existing approaches it utilizes a parsimonious, non-parametric formulation that favors sparse representations and whose complexity can be determined from the data. The proposed framework in non-intrusive and makes use of a sequence of forward solvers operating at various resolutions. As a result, inexpensive, coarse solvers are used to identify the most salient features of the unknown field(s) which are subsequently enriched by invoking solvers operating at finer resolutions. This leads to significant computational savings particularly in problems involving computationally demanding forward models but also improvements in accuracy. It is based on a novel, adaptive scheme based on Sequential Monte Carlo sampling which is embarrassingly parallelizable and circumvents issues with slow mixing encountered in Markov Chain Monte Carlo schemes

Tensor Computation: A New Framework for High-Dimensional Problems in EDA

Many critical EDA problems suffer from the curse of dimensionality, i.e. the very fast-scaling computational burden produced by large number of parameters and/or unknown variables. This phenomenon may be caused by multiple spatial or temporal factors (e.g. 3-D field solvers discretizations and multi-rate circuit simulation), nonlinearity of devices and circuits, large number of design or optimization parameters (e.g. full-chip routing/placement and circuit sizing), or extensive process variations (e.g. variability/reliability analysis and design for manufacturability). The computational challenges generated by such high dimensional problems are generally hard to handle efficiently with traditional EDA core algorithms that are based on matrix and vector computation. This paper presents "tensor computation" as an alternative general framework for the development of efficient EDA algorithms and tools. A tensor is a high-dimensional generalization of a matrix and a vector, and is a natural choice for both storing and solving efficiently high-dimensional EDA problems. This paper gives a basic tutorial on tensors, demonstrates some recent examples of EDA applications (e.g., nonlinear circuit modeling and high-dimensional uncertainty quantification), and suggests further open EDA problems where the use of tensor computation could be of advantage.Comment: 14 figures. Accepted by IEEE Trans. CAD of Integrated Circuits and System