Optimal and Efficient Learning In Classification

We study a natural extension of classical empirical risk minimization, where the hypothesis space is a random subspace of a given space. In particular, we consider possibly data dependent subspaces spanned by a random subset of the data, recovering as a special case Nyström approaches for kernel methods. Considering random subspaces naturally leads to computational savings, but the question is whether the corresponding learning accuracy is degraded. These statistical-computational tradeoffs have been recently explored for the least squares loss and self-concordant loss functions, such as the logistic loss. Here, we work to extend these results to convex Lipschitz loss functions, that might not be smooth, such as the hinge loss used in support vector machines. This unified analysis requires developing new proofs, that use different technical tools to establish fast rates. Our main results show the existence of different settings, depending on how hard the learning problem is, for which computational efficiency can be improved with no loss in performance. The analysis is also specialized to smooth loss functions. In the final part of the paper we convert our surrogates risk bounds into classification error bounds and compare the choice of hinge loss with respect to square loss

Kernel Methods for Surrogate Modeling

This chapter deals with kernel methods as a special class of techniques for surrogate modeling. Kernel methods have proven to be efficient in machine learning, pattern recognition and signal analysis due to their flexibility, excellent experimental performance and elegant functional analytic background. These data-based techniques provide so called kernel expansions, i.e., linear combinations of kernel functions which are generated from given input-output point samples that may be arbitrarily scattered. In particular, these techniques are meshless, do not require or depend on a grid, hence are less prone to the curse of dimensionality, even for high-dimensional problems. In contrast to projection-based model reduction, we do not necessarily assume a high-dimensional model, but a general function that models input-output behavior within some simulation context. This could be some micro-model in a multiscale-simulation, some submodel in a coupled system, some initialization function for solvers, coefficient function in PDEs, etc. First, kernel surrogates can be useful if the input-output function is expensive to evaluate, e.g. is a result of a finite element simulation. Here, acceleration can be obtained by sparse kernel expansions. Second, if a function is available only via measurements or a few function evaluation samples, kernel approximation techniques can provide function surrogates that allow global evaluation. We present some important kernel approximation techniques, which are kernel interpolation, greedy kernel approximation and support vector regression. Pseudo-code is provided for ease of reproducibility. In order to illustrate the main features, commonalities and differences, we compare these techniques on a real-world application. The experiments clearly indicate the enormous acceleration potentia

Methods for Optimization and Regularization of Generative Models

This thesis studies the problem of regularizing and optimizing generative models, often using insights and techniques from kernel methods. The work proceeds in three main themes. Conditional score estimation. We propose a method for estimating conditional densities based on a rich class of RKHS exponential family models. The algorithm works by solving a convex quadratic problem for fitting the gradient of the log density, the score, thus avoiding the need for estimating the normalizing constant. We show the resulting estimator to be consistent and provide convergence rates when the model is well-specified. Structuring and regularizing implicit generative models. In a first contribution, we introduce a method for learning Generative Adversarial Networks, a class of Implicit Generative Models, using a parametric family of Maximum Mean Discrepancies (MMD). We show that controlling the gradient of the critic function defining the MMD is vital for having a sensible loss function. Moreover, we devise a method to enforce exact, analytical gradient constraints. As a second contribution, we introduce and study a new generative model suited for data with low intrinsic dimension embedded in a high dimensional space. This model combines two components: an implicit model, which can learn the low-dimensional support of data, and an energy function, to refine the probability mass by importance sampling on the support of the implicit model. We further introduce algorithms for learning such a hybrid model and for efficient sampling. Optimizing implicit generative models. We first study the Wasserstein gradient flow of the Maximum Mean Discrepancy in a non-parametric setting and provide smoothness conditions on the trajectory of the flow to ensure global convergence. We identify cases when this condition does not hold and propose a new algorithm based on noise injection to mitigate this problem. In a second contribution, we consider the Wasserstein gradient flow of generic loss functionals in a parametric setting. This flow is invariant to the model's parameterization, just like the Fisher gradient flows in information geometry. It has the additional benefit to be well defined even for models with varying supports, which is particularly well suited for implicit generative models. We then introduce a general framework for approximating the Wasserstein natural gradient by leveraging a dual formulation of the Wasserstein pseudo-Riemannian metric that we restrict to a Reproducing Kernel Hilbert Space. The resulting estimator is scalable and provably consistent as it relies on Nystrom methods

Large Scale Kernel Methods for Fun and Profit

Kernel methods are among the most flexible classes of machine learning models with strong theoretical guarantees. Wide classes of functions can be approximated arbitrarily well with kernels, while fast convergence and learning rates have been formally shown to hold. Exact kernel methods are known to scale poorly with increasing dataset size, and we believe that one of the factors limiting their usage in modern machine learning is the lack of scalable and easy to use algorithms and software. The main goal of this thesis is to study kernel methods from the point of view of efficient learning, with particular emphasis on large-scale data, but also on low-latency training, and user efficiency. We improve the state-of-the-art for scaling kernel solvers to datasets with billions of points using the Falkon algorithm, which combines random projections with fast optimization. Running it on GPUs, we show how to fully utilize available computing power for training kernel machines. To boost the ease-of-use of approximate kernel solvers, we propose an algorithm for automated hyperparameter tuning. By minimizing a penalized loss function, a model can be learned together with its hyperparameters, reducing the time needed for user-driven experimentation. In the setting of multi-class learning, we show that – under stringent but realistic assumptions on the separation between classes – a wide set of algorithms needs much fewer data points than in the more general setting (without assumptions on class separation) to reach the same accuracy. The first part of the thesis develops a framework for efficient and scalable kernel machines. This raises the question of whether our approaches can be used successfully in real-world applications, especially compared to alternatives based on deep learning which are often deemed hard to beat. The second part aims to investigate this question on two main applications, chosen because of the paramount importance of having an efficient algorithm. First, we consider the problem of instance segmentation of images taken from the iCub robot. Here Falkon is used as part of a larger pipeline, but the efficiency afforded by our solver is essential to ensure smooth human-robot interactions. In the second instance, we consider time-series forecasting of wind speed, analysing the relevance of different physical variables on the predictions themselves. We investigate different schemes to adapt i.i.d. learning to the time-series setting. Overall, this work aims to demonstrate, through novel algorithms and examples, that kernel methods are up to computationally demanding tasks, and that there are concrete applications in which their use is warranted and more efficient than that of other, more complex, and less theoretically grounded models

Stochastic Optimization For Multi-Agent Statistical Learning And Control

The goal of this thesis is to develop a mathematical framework for optimal, accurate, and affordable complexity statistical learning among networks of autonomous agents. We begin by noting the connection between statistical inference and stochastic programming, and consider extensions of this setup to settings in which a network of agents each observes a local data stream and would like to make decisions that are good with respect to information aggregated across the entire network. There is an open-ended degree of freedom in this problem formulation, however: the selection of the estimator function class which defines the feasible set of the stochastic program. Our central contribution is the design of stochastic optimization tools in reproducing kernel Hilbert spaces that yield optimal, accurate, and affordable complexity statistical learning for a multi-agent network. To obtain this result, we first explore the relative merits and drawbacks of different function class selections. In Part I, we consider multi-agent expected risk minimization this problem setting for the case that each agent seems to learn a common globally optimal generalized linear models (GLMs) by developing a stochastic variant of Arrow-Hurwicz primal-dual method. We establish convergence to the primal-dual optimal pair when either consensus or ``proximity constraints encode the fact that we want all agents\u27 to agree, or nearby agents to make decisions that are close to one another. Empirically, we observe that these convergence results are substantiated but that convergence may not translate into statistical accuracy. More broadly, optimality within a given estimator function class is not the same as one that makes minimal inference errors. The optimality-accuracy tradeoff of GLMs motivates subsequent efforts to learn more sophisticated estimators based upon learned feature encodings of the data that is fed into the statistical model. The specific tool we turn to in Part II is dictionary learning, where we optimize both over regression weights and an encoding of the data, which yields a non-convex problem. We investigate the use of stochastic methods for online task-driven dictionary learning, and obtain promising performance for the task of a ground robot learning to anticipate control uncertainty based on its past experience. Heartened by this implementation, we then consider extensions of this framework for a multi-agent network to each learn globally optimal task-driven dictionaries based on stochastic primal-dual methods. However, it is here the non-convexity of the optimization problem causes problems: stringent conditions on stochastic errors and the duality gap limit the applicability of the convergence guarantees, and impractically small learning rates are required for convergence in practice. Thus, we seek to learn nonlinear statistical models while preserving convexity, which is possible through kernel methods ( Part III). However, the increased descriptive power of nonparametric estimation comes at the cost of infinite complexity. Thus, we develop a stochastic approximation algorithm in reproducing kernel Hilbert spaces (RKHS) that ameliorates this complexity issue while preserving optimality: we combine the functional generalization of stochastic gradient method (FSGD) with greedily constructed low-dimensional subspace projections based on matching pursuit. We establish that the proposed method yields a controllable trade-off between optimality and memory, and yields highly accurate parsimonious statistical models in practice. % Then, we develop a multi-agent extension of this method by proposing a new node-separable penalty function and applying FSGD together with low-dimensional subspace projections. This extension allows a network of autonomous agents to learn a memory-efficient approximation to the globally optimal regression function based only on their local data stream and message passing with neighbors. In practice, we observe agents are able to stably learn highly accurate and memory-efficient nonlinear statistical models from streaming data. From here, we shift focus to a more challenging class of problems, motivated by the fact that true learning is not just revising predictions based upon data but augmenting behavior over time based on temporal incentives. This goal may be described by Markov Decision Processes (MDPs): at each point, an agent is in some state of the world, takes an action and then receives a reward while randomly transitioning to a new state. The goal of the agent is to select the action sequence to maximize its long-term sum of rewards, but determining how to select this action sequence when both the state and action spaces are infinite has eluded researchers for decades. As a precursor to this feat, we consider the problem of policy evaluation in infinite MDPs, in which we seek to determine the long-term sum of rewards when starting in a given state when actions are chosen according to a fixed distribution called a policy. We reformulate this problem as a RKHS-valued compositional stochastic program and we develop a functional extension of stochastic quasi-gradient algorithm operating in tandem with the greedy subspace projections mentioned above. We prove convergence with probability 1 to the Bellman fixed point restricted to this function class, and we observe a state of the art trade off in memory versus Bellman error for the proposed method on the Mountain Car driving task, which bodes well for incorporating policy evaluation into more sophisticated, provably stable reinforcement learning techniques, and in time, developing optimal collaborative multi-agent learning-based control systems

Doctor of Philosophy

dissertationStatistical analysis of time dependent imaging data is crucial for understanding normal anatomical development as well as disease progression. The most promising studies are of longitudinal design, where repeated observations are obtained from the same subjects. Analysis in this case is challenging due to the difficulty in modeling longitudinal changes, such as growth, and comparing changes across different populations. In any case, the study of anatomical change over time has the potential to further our understanding of many dynamic processes. What is needed are accurate computational models to capture, describe, and quantify anatomical change over time. Anatomical shape is encoded in a variety of representations, such as medical imaging data and derived geometric information extracted as points, curves, and/or surfaces. By considering various shape representations embedded into the same ambient space as a shape complex, either in 2D or 3D, we obtain a more comprehensive description of the anatomy than provided by an single isolated shape. In this dissertation, we develop spatiotemporal models of anatomical change designed to leverage multiple shape representations simultaneously. Rather than study directly the geometric changes to a shape itself, we instead consider how the ambient space deforms, which allows all embedded shapes to be included simultaneously in model estimation. Around this idea, we develop two complementary spatiotemporal models: a flexible nonparametric model designed to capture complex anatomical trajectories, and a generative model designed as a compact statistical representation of anatomical change. We present several ways spatiotemporal models can support the statistical analysis of scalar measurements, such as volume, extracted from shape. Finally, we cover the statistical analysis of higher dimensional shape features to take better advantage of the rich morphometric information provided by shape, as well as the trajectory of change captured by spatiotemporal models

Quantum Computing for Fusion Energy Science Applications

This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron-Frobenius evolution operator, and the Koopman-von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendices. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave-particle interactions through the simulation of quantum maps and of wave-wave interactions important in nonlinear plasma dynamics.Comment: 42 pages; 12 figures; invited paper at the 2021-2022 International Sherwood Fusion Theory Conferenc