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Bayesian nonparametric hierarchical priors provide flexible models for sharing of information within and across groups. We focus on latent feature allocation models, where the data structures correspond to multisets or unbounded sparse matrices. The fundamental development in this regard is the Hierarchical Indian Buffet process (HIBP), devised by Thibaux and Jordan (2007). However, little is known in terms of explicit tractable descriptions of the joint, marginal, posterior and predictive distributions of the HIBP. We provide explicit novel descriptions of these quantities, in the Bernoulli HIBP and general spike and slab HIBP settings, which allows for exact sampling and simpler practical implementation. We then extend these results to the more complex setting of hierarchies of general HIBP (HHIBP). The generality of our framework allows one to recognize important structure that may otherwise be masked in the Bernoulli setting, and involves characterizations via dynamic mixed Poisson random count matrices. Our analysis shows that the standard choice of hierarchical Beta processes for modeling across group sharing is not ideal in the classic Bernoulli HIBP setting proposed by Thibaux and Jordan (2007), or other spike and slab HIBP settings, and we thus indicate tractable alternative priors.

We propose a new data-driven approach for learning the fundamental solutions (Green's functions) of various linear partial differential equations (PDEs) given sample pairs of input-output functions. Building off the theory of functional linear regression (FLR), we estimate the best-fit Green's function and bias term of the fundamental solution in a reproducing kernel Hilbert space (RKHS) which allows us to regularize their smoothness and impose various structural constraints. We derive a general representer theorem for operator RKHSs to approximate the original infinite-dimensional regression problem by a finite-dimensional one, reducing the search space to a parametric class of Green's functions. In order to study the prediction error of our Green's function estimator, we extend prior results on FLR with scalar outputs to the case with functional outputs. Finally, we demonstrate our method on several linear PDEs including the Poisson, Helmholtz, Schr\"{o}dinger, Fokker-Planck, and heat equation. We highlight its robustness to noise as well as its ability to generalize to new data with varying degrees of smoothness and mesh discretization without any additional training.

Sensitivity analysis for the unconfoundedness assumption is a crucial component of observational studies. The marginal sensitivity model has become increasingly popular for this purpose due to its interpretability and mathematical properties. As the basis of $L^\infty$-sensitivity analysis, it assumes the logit difference between the observed and full data propensity scores is uniformly bounded. In this article, we introduce a new $L^2$-sensitivity analysis framework which is flexible, sharp and efficient. We allow the strength of unmeasured confounding to vary across units and only require it to be bounded marginally for partial identification. We derive analytical solutions to the optimization problems under our $L^2$-models, which can be used to obtain sharp bounds for the average treatment effect (ATE). We derive efficient influence functions and use them to develop efficient one-step estimators in both analyses. We show that multiplier bootstrap can be applied to construct simultaneous confidence bands for our ATE bounds. In a real-data study, we demonstrate that $L^2$-analysis relaxes the interpretation of $L^\infty$-analysis and provides a much more reliable calibration process using observed covariates. Finally, we provide an extension of our theoretical results to the conditional average treatment effect (CATE).

In bandit algorithms, the randomly time-varying adaptive experimental design makes it difficult to apply traditional limit theorems to off-policy evaluation of the treatment effect. Moreover, the normal approximation by the central limit theorem becomes unsatisfactory for lack of information due to the small sample size of the inferior arm. To resolve this issue, we introduce a backwards asymptotic expansion method and prove the validity of this scheme based on the partial mixing, that was originally introduced for the expansion of the distribution of a functional of a jump-diffusion process in a random environment. The theory is generalized in this paper to incorporate the backward propagation of random functions in the bandit algorithm. Besides the analytical validation, the simulation studies also support the new method. Our formulation is general and applicable to nonlinearly parametrized differentiable statistical models having an adaptive design.

With the rising complexity of numerous novel applications that serve our modern society comes the strong need to design efficient computing platforms. Designing efficient hardware is, however, a complex multi-objective problem that deals with multiple parameters and their interactions. Given that there are a large number of parameters and objectives involved in hardware design, synthesizing all possible combinations is not a feasible method to find the optimal solution. One promising approach to tackle this problem is statistical modeling of a desired hardware performance. Here, we propose a model-based active learning approach to solve this problem. Our proposed method uses Bayesian models to characterize various aspects of hardware performance. We also use transfer learning and Gaussian regression bootstrapping techniques in conjunction with active learning to create more accurate models. Our proposed statistical modeling method provides hardware models that are sufficiently accurate to perform design space exploration as well as performance prediction simultaneously. We use our proposed method to perform design space exploration and performance prediction for various hardware setups, such as micro-architecture design and OpenCL kernels for FPGA targets. Our experiments show that the number of samples required to create performance models significantly reduces while maintaining the predictive power of our proposed statistical models. For instance, in our performance prediction setting, the proposed method needs 65% fewer samples to create the model, and in the design space exploration setting, our proposed method can find the best parameter settings by exploring less than 50 samples.

The author's recent research papers, "Cumulative deviation of a subpopulation from the full population" and "A graphical method of cumulative differences between two subpopulations" (both published in volume 8 of Springer's open-access "Journal of Big Data" during 2021), propose graphical methods and summary statistics, without extensively calibrating formal significance tests. The summary metrics and methods can measure the calibration of probabilistic predictions and can assess differences in responses between a subpopulation and the full population while controlling for a covariate or score via conditioning on it. These recently published papers construct significance tests based on the scalar summary statistics, but only sketch how to calibrate the attained significance levels (also known as "P-values") for the tests. The present article reviews and synthesizes work spanning many decades in order to detail how to calibrate the P-values. The present paper presents computationally efficient, easily implemented numerical methods for evaluating properly calibrated P-values, together with rigorous mathematical proofs guaranteeing their accuracy, and illustrates and validates the methods with open-source software and numerical examples.

Modern datasets commonly feature both substantial missingness and many variables of mixed data types, which present significant challenges for estimation and inference. Complete case analysis, which proceeds using only the observations with fully-observed variables, is often severely biased, while model-based imputation of missing values is limited by the ability of the model to capture complex dependencies among (possibly many) variables of mixed data types. To address these challenges, we develop a novel Bayesian mixture copula for joint and nonparametric modeling of multivariate count, continuous, ordinal, and unordered categorical variables, and deploy this model for inference, prediction, and imputation of missing data. Most uniquely, we introduce a new and computationally efficient strategy for marginal distribution estimation that eliminates the need to specify any marginal models yet delivers posterior consistency for each marginal distribution and the copula parameters under missingness-at-random. Extensive simulation studies demonstrate exceptional modeling and imputation capabilities relative to competing methods, especially with mixed data types, complex missingness mechanisms, and nonlinear dependencies. We conclude with a data analysis that highlights how improper treatment of missing data can distort a statistical analysis, and how the proposed approach offers a resolution.

The dynamics of neuron populations during diverse tasks often evolve on low-dimensional manifolds. However, it remains challenging to discern the contributions of geometry and dynamics for encoding relevant behavioural variables. Here, we introduce an unsupervised geometric deep learning framework for representing non-linear dynamical systems based on statistical distributions of local phase portrait features. Our method provides robust geometry-aware or geometry-agnostic representations for the unbiased comparison of dynamics based on measured trajectories. We demonstrate that our statistical representation can generalise across neural network instances to discriminate computational mechanisms, obtain interpretable embeddings of neural dynamics in a primate reaching task with geometric correspondence to hand kinematics, and develop a decoding algorithm with state-of-the-art accuracy. Our results highlight the importance of using the intrinsic manifold structure over temporal information to develop better decoding algorithms and assimilate data across experiments.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.