arXiv subjects

Lars Ruthotto

Publications and source records attributed to Lars Ruthotto.

At least 37 records · Page 2Linked to original sources

arXiv2022

A Neural Network Approach for High-Dimensional Optimal Control Applied to Multi-Agent Path Finding

We propose a neural network approach that yields approximate solutions for high-dimensional optimal control problems and demonstrate its effectiveness using examples from multi-agent path finding. Our approach yields controls in a feedback form, where the policy function is given by a neural network (NN). Specifically, we fuse the Hamilton-Jacobi-Bellman (HJB) and Pontryagin Maximum Principle (PMP) approaches by parameterizing the value function with an NN. Our approach enables us to obtain approximately optimal controls in real-time without having to solve an optimization problem. Once the policy function is trained, generating a control at a given space-time location takes milliseconds; in contrast, efficient nonlinear programming methods typically perform the same task in seconds. We train the NN offline using the objective function of the control problem and penalty terms that enforce the HJB equations. Therefore, our training algorithm does not involve data generated by another algorithm. By training on a distribution of initial states, we ensure the controls' optimality on a large portion of the state-space. Our grid-free approach scales efficiently to dimensions where grids become impractical or infeasible. We apply our approach to several multi-agent collision-avoidance problems in up to 150 dimensions. Furthermore, we empirically observe that the number of parameters in our approach scales linearly with the dimension of the control problem, thereby mitigating the curse of dimensionality.

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arXiv2021

slimTrain -- A Stochastic Approximation Method for Training Separable Deep Neural Networks

Deep neural networks (DNNs) have shown their success as high-dimensional function approximators in many applications; however, training DNNs can be challenging in general. DNN training is commonly phrased as a stochastic optimization problem whose challenges include non-convexity, non-smoothness, insufficient regularization, and complicated data distributions. Hence, the performance of DNNs on a given task depends crucially on tuning hyperparameters, especially learning rates and regularization parameters. In the absence of theoretical guidelines or prior experience on similar tasks, this requires solving many training problems, which can be time-consuming and demanding on computational resources. This can limit the applicability of DNNs to problems with non-standard, complex, and scarce datasets, e.g., those arising in many scientific applications. To remedy the challenges of DNN training, we propose slimTrain, a stochastic optimization method for training DNNs with reduced sensitivity to the choice hyperparameters and fast initial convergence. The central idea of slimTrain is to exploit the separability inherent in many DNN architectures; that is, we separate the DNN into a nonlinear feature extractor followed by a linear model. This separability allows us to leverage recent advances made for solving large-scale, linear, ill-posed inverse problems. Crucially, for the linear weights, slimTrain does not require a learning rate and automatically adapts the regularization parameter. Since our method operates on mini-batches, its computational overhead per iteration is modest. In our numerical experiments, slimTrain outperforms existing DNN training methods with the recommended hyperparameter settings and reduces the sensitivity of DNN training to the remaining hyperparameters.

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arXiv2021

Train Like a (Var)Pro: Efficient Training of Neural Networks with Variable Projection

Deep neural networks (DNNs) have achieved state-of-the-art performance across a variety of traditional machine learning tasks, e.g., speech recognition, image classification, and segmentation. The ability of DNNs to efficiently approximate high-dimensional functions has also motivated their use in scientific applications, e.g., to solve partial differential equations (PDE) and to generate surrogate models. In this paper, we consider the supervised training of DNNs, which arises in many of the above applications. We focus on the central problem of optimizing the weights of the given DNN such that it accurately approximates the relation between observed input and target data. Devising effective solvers for this optimization problem is notoriously challenging due to the large number of weights, non-convexity, data-sparsity, and non-trivial choice of hyperparameters. To solve the optimization problem more efficiently, we propose the use of variable projection (VarPro), a method originally designed for separable nonlinear least-squares problems. Our main contribution is the Gauss-Newton VarPro method (GNvpro) that extends the reach of the VarPro idea to non-quadratic objective functions, most notably, cross-entropy loss functions arising in classification. These extensions make GNvpro applicable to all training problems that involve a DNN whose last layer is an affine mapping, which is common in many state-of-the-art architectures. In our four numerical experiments from surrogate modeling, segmentation, and classification GNvpro solves the optimization problem more efficiently than commonly-used stochastic gradient descent (SGD) schemes. Also, GNvpro finds solutions that generalize well, and in all but one example better than well-tuned SGD methods, to unseen data points.

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arXiv2021

An Introduction to Deep Generative Modeling

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to estimate the likelihood of each observation and to create new samples from the underlying distribution. Developing DGMs has become one of the most hotly researched fields in artificial intelligence in recent years. The literature on DGMs has become vast and is growing rapidly. Some advances have even reached the public sphere, for example, the recent successes in generating realistic-looking images, voices, or movies; so-called deep fakes. Despite these successes, several mathematical and practical issues limit the broader use of DGMs: given a specific dataset, it remains challenging to design and train a DGM and even more challenging to find out why a particular model is or is not effective. To help advance the theoretical understanding of DGMs, we introduce DGMs and provide a concise mathematical framework for modeling the three most popular approaches: normalizing flows (NF), variational autoencoders (VAE), and generative adversarial networks (GAN). We illustrate the advantages and disadvantages of these basic approaches using numerical experiments. Our goal is to enable and motivate the reader to contribute to this proliferating research area. Our presentation also emphasizes relations between generative modeling and optimal transport.

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arXiv2021

A Neural Network Approach Applied to Multi-Agent Optimal Control

We propose a neural network approach for solving high-dimensional optimal control problems. In particular, we focus on multi-agent control problems with obstacle and collision avoidance. These problems immediately become high-dimensional, even for moderate phase-space dimensions per agent. Our approach fuses the Pontryagin Maximum Principle and Hamilton-Jacobi-Bellman (HJB) approaches and parameterizes the value function with a neural network. Our approach yields controls in a feedback form for quick calculation and robustness to moderate disturbances to the system. We train our model using the objective function and optimality conditions of the control problem. Therefore, our training algorithm neither involves a data generation phase nor solutions from another algorithm. Our model uses empirically effective HJB penalizers for efficient training. By training on a distribution of initial states, we ensure the controls' optimality is achieved on a large portion of the state-space. Our approach is grid-free and scales efficiently to dimensions where grids become impractical or infeasible. We demonstrate our approach's effectiveness on a 150-dimensional multi-agent problem with obstacles.

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arXiv2021

OT-Flow: Fast and Accurate Continuous Normalizing Flows via Optimal Transport

A normalizing flow is an invertible mapping between an arbitrary probability distribution and a standard normal distribution; it can be used for density estimation and statistical inference. Computing the flow follows the change of variables formula and thus requires invertibility of the mapping and an efficient way to compute the determinant of its Jacobian. To satisfy these requirements, normalizing flows typically consist of carefully chosen components. Continuous normalizing flows (CNFs) are mappings obtained by solving a neural ordinary differential equation (ODE). The neural ODE's dynamics can be chosen almost arbitrarily while ensuring invertibility. Moreover, the log-determinant of the flow's Jacobian can be obtained by integrating the trace of the dynamics' Jacobian along the flow. Our proposed OT-Flow approach tackles two critical computational challenges that limit a more widespread use of CNFs. First, OT-Flow leverages optimal transport (OT) theory to regularize the CNF and enforce straight trajectories that are easier to integrate. Second, OT-Flow features exact trace computation with time complexity equal to trace estimators used in existing CNFs. On five high-dimensional density estimation and generative modeling tasks, OT-Flow performs competitively to state-of-the-art CNFs while on average requiring one-fourth of the number of weights with an 8x speedup in training time and 24x speedup in inference.

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arXiv2020

Avoiding The Double Descent Phenomenon of Random Feature Models Using Hybrid Regularization

We demonstrate the ability of hybrid regularization methods to automatically avoid the double descent phenomenon arising in the training of random feature models (RFM). The hallmark feature of the double descent phenomenon is a spike in the regularization gap at the interpolation threshold, i.e. when the number of features in the RFM equals the number of training samples. To close this gap, the hybrid method considered in our paper combines the respective strengths of the two most common forms of regularization: early stopping and weight decay. The scheme does not require hyperparameter tuning as it automatically selects the stopping iteration and weight decay hyperparameter by using generalized cross-validation (GCV). This also avoids the necessity of a dedicated validation set. While the benefits of hybrid methods have been well-documented for ill-posed inverse problems, our work presents the first use case in machine learning. To expose the need for regularization and motivate hybrid methods, we perform detailed numerical experiments inspired by image classification. In those examples, the hybrid scheme successfully avoids the double descent phenomenon and yields RFMs whose generalization is comparable with classical regularization approaches whose hyperparameters are tuned optimally using the test data. We provide our MATLAB codes for implementing the numerical experiments in this paper at https://github.com/EmoryMLIP/HybridRFM.

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arXiv2020

PNKH-B: A Projected Newton-Krylov Method for Large-Scale Bound-Constrained Optimization

We present PNKH-B, a projected Newton-Krylov method for iteratively solving large-scale optimization problems with bound constraints. PNKH-B is geared toward situations in which function and gradient evaluations are expensive, and the (approximate) Hessian is only available through matrix-vector products. This is commonly the case in large-scale parameter estimation, machine learning, and image processing. In each iteration, PNKH-B uses a low-rank approximation of the (approximate) Hessian to determine the search direction and construct the metric used in a projected line search. The key feature of the metric is its consistency with the low-rank approximation of the Hessian on the Krylov subspace. This renders PNKH-B similar to a projected variable metric method. We present an interior point method to solve the quadratic projection problem efficiently. Since the interior point method effectively exploits the low-rank structure, its computational cost only scales linearly with respect to the number of variables, and it only adds negligible computational time. We also experiment with variants of PNKH-B that incorporate estimates of the active set into the Hessian approximation. We prove the global convergence to a stationary point under standard assumptions. Using three numerical experiments motivated by parameter estimation, machine learning, and image reconstruction, we show that the consistent use of the Hessian metric in PNKH-B leads to fast convergence, particularly in the first few iterations. We provide our MATLAB implementation at https://github.com/EmoryMLIP/PNKH-B.

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arXiv2020

Multigrid-in-Channels Architectures for Wide Convolutional Neural Networks

We present a multigrid approach that combats the quadratic growth of the number of parameters with respect to the number of channels in standard convolutional neural networks (CNNs). It has been shown that there is a redundancy in standard CNNs, as networks with much sparser convolution operators can yield similar performance to full networks. The sparsity patterns that lead to such behavior, however, are typically random, hampering hardware efficiency. In this work, we present a multigrid-in-channels approach for building CNN architectures that achieves full coupling of the channels, and whose number of parameters is linearly proportional to the width of the network. To this end, we replace each convolution layer in a generic CNN with a multilevel layer consisting of structured (i.e., grouped) convolutions. Our examples from supervised image classification show that applying this strategy to residual networks and MobileNetV2 considerably reduces the number of parameters without negatively affecting accuracy. Therefore, we can widen networks without dramatically increasing the number of parameters or operations.

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arXiv2020

Discretize-Optimize vs. Optimize-Discretize for Time-Series Regression and Continuous Normalizing Flows

We compare the discretize-optimize (Disc-Opt) and optimize-discretize (Opt-Disc) approaches for time-series regression and continuous normalizing flows (CNFs) using neural ODEs. Neural ODEs are ordinary differential equations (ODEs) with neural network components. Training a neural ODE is an optimal control problem where the weights are the controls and the hidden features are the states. Every training iteration involves solving an ODE forward and another backward in time, which can require large amounts of computation, time, and memory. Comparing the Opt-Disc and Disc-Opt approaches in image classification tasks, Gholami et al. (2019) suggest that Disc-Opt is preferable due to the guaranteed accuracy of gradients. In this paper, we extend the comparison to neural ODEs for time-series regression and CNFs. Unlike in classification, meaningful models in these tasks must also satisfy additional requirements beyond accurate final-time output, e.g., the invertibility of the CNF. Through our numerical experiments, we demonstrate that with careful numerical treatment, Disc-Opt methods can achieve similar performance as Opt-Disc at inference with drastically reduced training costs. Disc-Opt reduced costs in six out of seven separate problems with training time reduction ranging from 39% to 97%, and in one case, Disc-Opt reduced training from nine days to less than one day.

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arXiv2020

A Machine Learning Framework for Solving High-Dimensional Mean Field Game and Mean Field Control Problems

Mean field games (MFG) and mean field control (MFC) are critical classes of multi-agent models for efficient analysis of massive populations of interacting agents. Their areas of application span topics in economics, finance, game theory, industrial engineering, crowd motion, and more. In this paper, we provide a flexible machine learning framework for the numerical solution of potential MFG and MFC models. State-of-the-art numerical methods for solving such problems utilize spatial discretization that leads to a curse-of-dimensionality. We approximately solve high-dimensional problems by combining Lagrangian and Eulerian viewpoints and leveraging recent advances from machine learning. More precisely, we work with a Lagrangian formulation of the problem and enforce the underlying Hamilton-Jacobi-Bellman (HJB) equation that is derived from the Eulerian formulation. Finally, a tailored neural network parameterization of the MFG/MFC solution helps us avoid any spatial discretization. Our numerical results include the approximate solution of 100-dimensional instances of optimal transport and crowd motion problems on a standard work station and a validation using an Eulerian solver in two dimensions. These results open the door to much-anticipated applications of MFG and MFC models that were beyond reach with existing numerical methods.

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arXiv2020

LeanConvNets: Low-cost Yet Effective Convolutional Neural Networks

Convolutional Neural Networks (CNNs) have become indispensable for solving machine learning tasks in speech recognition, computer vision, and other areas that involve high-dimensional data. A CNN filters the input feature using a network containing spatial convolution operators with compactly supported stencils. In practice, the input data and the hidden features consist of a large number of channels, which in most CNNs are fully coupled by the convolution operators. This coupling leads to immense computational cost in the training and prediction phase. In this paper, we introduce LeanConvNets that are derived by sparsifying fully-coupled operators in existing CNNs. Our goal is to improve the efficiency of CNNs by reducing the number of weights, floating point operations and latency times, with minimal loss of accuracy. Our lean convolution operators involve tuning parameters that controls the trade-off between the network's accuracy and computational costs. These convolutions can be used in a wide range of existing networks, and we exemplify their use in residual networks (ResNets). Using a range of benchmark problems from image classification and semantic segmentation, we demonstrate that the resulting LeanConvNet's accuracy is close to state-of-the-art networks while being computationally less expensive. In our tests, the lean versions of ResNet in most cases outperform comparable reduced architectures such as MobileNets and ShuffleNets.

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arXiv2019

ADMM-SOFTMAX : An ADMM Approach for Multinomial Logistic Regression

We present ADMM-Softmax, an alternating direction method of multipliers (ADMM) for solving multinomial logistic regression (MLR) problems. Our method is geared toward supervised classification tasks with many examples and features. It decouples the nonlinear optimization problem in MLR into three steps that can be solved efficiently. In particular, each iteration of ADMM-Softmax consists of a linear least-squares problem, a set of independent small-scale smooth, convex problems, and a trivial dual variable update. Solution of the least-squares problem can be be accelerated by pre-computing a factorization or preconditioner, and the separability in the smooth, convex problem can be easily parallelized across examples. For two image classification problems, we demonstrate that ADMM-Softmax leads to improved generalization compared to a Newton-Krylov, a quasi Newton, and a stochastic gradient descent method.

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arXiv2019

Gauss-Newton Optimization for Phase Recovery from the Bispectrum

Phase recovery from the bispectrum is a central problem in speckle interferometry which can be posed as an optimization problem minimizing a weighted nonlinear least-squares objective function. We look at two different formulations of the phase recovery problem from the literature, both of which can be minimized with respect to either the recovered phase or the recovered image. Previously, strategies for solving these formulations have been limited to first-order optimization methods such as gradient descent or quasi-Newton methods. This paper explores Gauss-Newton optimization schemes for the problem of phase recovery from the bispectrum. We implement efficient Gauss-Newton optimization schemes for all the formulations. For the two of these formulations which optimize with respect to the recovered image, we also extend to projected Gauss-Newton to enforce element-wise lower and upper bounds on the pixel intensities of the recovered image. We show that our efficient Gauss-Newton schemes result in better image reconstructions with no or limited additional computational cost compared to previously implemented first-order optimization schemes for phase recovery from the bispectrum. MATLAB implementations of all methods and simulations are made publicly available in the BiBox repository on Github.

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arXiv2019

IMEXnet: A Forward Stable Deep Neural Network

Deep convolutional neural networks have revolutionized many machine learning and computer vision tasks, however, some remaining key challenges limit their wider use. These challenges include improving the network's robustness to perturbations of the input image and the limited ``field of view'' of convolution operators. We introduce the IMEXnet that addresses these challenges by adapting semi-implicit methods for partial differential equations. Compared to similar explicit networks, such as residual networks, our network is more stable, which has recently shown to reduce the sensitivity to small changes in the input features and improve generalization. The addition of an implicit step connects all pixels in each channel of the image and therefore addresses the field of view problem while still being comparable to standard convolutions in terms of the number of parameters and computational complexity. We also present a new dataset for semantic segmentation and demonstrate the effectiveness of our architecture using the NYU Depth dataset.

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arXiv2019

LeanResNet: A Low-cost Yet Effective Convolutional Residual Networks

Convolutional Neural Networks (CNNs) filter the input data using spatial convolution operators with compact stencils. Commonly, the convolution operators couple features from all channels, which leads to immense computational cost in the training of and prediction with CNNs. To improve the efficiency of CNNs, we introduce lean convolution operators that reduce the number of parameters and computational complexity, and can be used in a wide range of existing CNNs. Here, we exemplify their use in residual networks (ResNets), which have been very reliable for a few years now and analyzed intensively. In our experiments on three image classification problems, the proposed LeanResNet yields results that are comparable to other recently proposed reduced architectures using similar number of parameters.

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arXiv2019

An Uncertainty-Weighted Asynchronous ADMM Method for Parallel PDE Parameter Estimation

We consider a global variable consensus ADMM algorithm for solving large-scale PDE parameter estimation problems asynchronously and in parallel. To this end, we partition the data and distribute the resulting subproblems among the available workers. Since each subproblem can be associated with different forward models and right-hand-sides, this provides ample options for tailoring the method to different applications including multi-source and multi-physics PDE parameter estimation problems. We also consider an asynchronous variant of consensus ADMM to reduce communication and latency. Our key contribution is a novel weighting scheme that empirically increases the progress made in early iterations of the consensus ADMM scheme and is attractive when using a large number of subproblems. This makes consensus ADMM competitive for solving PDE parameter estimation, which incurs immense costs per iteration. The weights in our scheme are related to the uncertainty associated with the solutions of each subproblem. We exemplarily show that the weighting scheme combined with the asynchronous implementation improves the time-to-solution for a 3D single-physics and multiphysics PDE parameter estimation problems.

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arXiv2019

Stable Architectures for Deep Neural Networks

Deep neural networks have become invaluable tools for supervised machine learning, e.g., classification of text or images. While often offering superior results over traditional techniques and successfully expressing complicated patterns in data, deep architectures are known to be challenging to design and train such that they generalize well to new data. Important issues with deep architectures are numerical instabilities in derivative-based learning algorithms commonly called exploding or vanishing gradients. In this paper we propose new forward propagation techniques inspired by systems of Ordinary Differential Equations (ODE) that overcome this challenge and lead to well-posed learning problems for arbitrarily deep networks. The backbone of our approach is our interpretation of deep learning as a parameter estimation problem of nonlinear dynamical systems. Given this formulation, we analyze stability and well-posedness of deep learning and use this new understanding to develop new network architectures. We relate the exploding and vanishing gradient phenomenon to the stability of the discrete ODE and present several strategies for stabilizing deep learning for very deep networks. While our new architectures restrict the solution space, several numerical experiments show their competitiveness with state-of-the-art networks.

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