We present a Gaussian Process - Latent Class Choice Model (GP-LCCM) to integrate a non-parametric class of probabilistic machine learning within discrete choice models (DCMs). Gaussian Processes (GPs) are kernel-based algorithms that incorporate expert knowledge by assuming priors over latent functions rather than priors over parameters, which makes them more flexible in addressing nonlinear problems. By integrating a Gaussian Process within a LCCM structure, we aim at improving discrete representations of unobserved heterogeneity. The proposed model would assign individuals probabilistically to behaviorally homogeneous clusters (latent classes) using GPs and simultaneously estimate class-specific choice models by relying on random utility models. Furthermore, we derive and implement an Expectation-Maximization (EM) algorithm to jointly estimate/infer the hyperparameters of the GP kernel function and the class-specific choice parameters by relying on a Laplace approximation and gradient-based numerical optimization methods, respectively. The model is tested on two different mode choice applications and compared against different LCCM benchmarks. Results show that GP-LCCM allows for a more complex and flexible representation of heterogeneity and improves both in-sample fit and out-of-sample predictive power. Moreover, behavioral and economic interpretability is maintained at the class-specific choice model level while local interpretation of the latent classes can still be achieved, although the non-parametric characteristic of GPs lessens the transparency of the model.

Machine learning (ML) has become a vital part in many aspects of our daily life. However, building well performing machine learning applications requires highly specialized data scientists and domain experts. Automated machine learning (AutoML) aims to reduce the demand for data scientists by enabling domain experts to build machine learning applications automatically without extensive knowledge of statistics and machine learning. This paper is a combination of a survey on current AutoML methods and a benchmark of popular AutoML frameworks on real data sets. Driven by the selected frameworks for evaluation, we summarize and review important AutoML techniques and methods concerning every step in building an ML pipeline. The selected AutoML frameworks are evaluated on 137 data sets from established AutoML benchmark suites.

Graph matching, also known as network alignment, refers to finding a bijection between the vertex sets of two given graphs so as to maximally align their edges. This fundamental computational problem arises frequently in multiple fields such as computer vision and biology. Recently, there has been a plethora of work studying efficient algorithms for graph matching under probabilistic models. In this work, we propose a new algorithm for graph matching and show that, for two Erd\H{o}s-R\'enyi graphs with edge correlation $1-\alpha$, our algorithm recovers the underlying matching with high probability when $\alpha \le 1 / (\log \log n)^C$, where $n$ is the number of vertices in each graph and $C$ denotes a positive universal constant. This improves the condition $\alpha \le 1 / (\log n)^C$ achieved in previous work.

A key challenge in scaling Gaussian Process (GP) regression to massive datasets is that exact inference requires computation with a dense n x n kernel matrix, where n is the number of data points. Significant work focuses on approximating the kernel matrix via interpolation using a smaller set of m inducing points. Structured kernel interpolation (SKI) is among the most scalable methods: by placing inducing points on a dense grid and using structured matrix algebra, SKI achieves per-iteration time of O(n + m log m) for approximate inference. This linear scaling in n enables inference for very large data sets; however the cost is per-iteration, which remains a limitation for extremely large n. We show that the SKI per-iteration time can be reduced to O(m log m) after a single O(n) time precomputation step by reframing SKI as solving a natural Bayesian linear regression problem with a fixed set of m compact basis functions. With per-iteration complexity independent of the dataset size n for a fixed grid, our method scales to truly massive data sets. We demonstrate speedups in practice for a wide range of m and n and apply the method to GP inference on a three-dimensional weather radar dataset with over 100 million points.

As robots are being increasingly used in close proximity to humans and objects, it is imperative that robots operate safely and efficiently under real-world conditions. Yet, the environment is seldom known perfectly. Noisy sensors and actuation errors compound to the errors introduced while estimating features of the environment. We present a novel approach (1) to incorporate these uncertainties for robot state estimation and (2) to compute the probability of collision pertaining to the estimated robot configurations. The expression for collision probability is obtained as an infinite series and we prove its convergence. An upper bound for the truncation error is also derived and the number of terms required is demonstrated by analyzing the convergence for different robot and obstacle configurations. We evaluate our approach using two simulation domains which use a roadmap-based strategy to synthesize trajectories that satisfy collision probability bounds.

We define a probabilistic programming language for Gaussian random variables with a first-class exact conditioning construct. We give operational, denotational and equational semantics for this language, establishing convenient properties like exchangeability of conditions. Conditioning on equality of continuous random variables is nontrivial, as the exact observation may have probability zero; this is Borel's paradox. Using categorical formulations of conditional probability, we show that the good properties of our language are not particular to Gaussians, but can be derived from universal properties, thus generalizing to wider settings. We define the Cond construction, which internalizes conditioning as a morphism, providing general compositional semantics for probabilistic programming with exact conditioning.

Sensor placement and feature selection are critical steps in engineering, modeling, and data science that share a common mathematical theme: the selected measurements should enable solution of an inverse problem. Most real-world systems of interest are nonlinear, yet the majority of available techniques for feature selection and sensor placement rely on assumptions of linearity or simple statistical models. We show that when these assumptions are violated, standard techniques can lead to costly over-sensing without guaranteeing that the desired information can be recovered from the measurements. In order to remedy these problems, we introduce a novel data-driven approach for sensor placement and feature selection for a general type of nonlinear inverse problem based on the information contained in secant vectors between data points. Using the secant-based approach, we develop three efficient greedy algorithms that each provide different types of robust, near-minimal reconstruction guarantees. We demonstrate them on two problems where linear techniques consistently fail: sensor placement to reconstruct a fluid flow formed by a complicated shock-mixing layer interaction and selecting fundamental manifold learning coordinates on a torus.

Recent advances in meta-learning has led to remarkable performances on several few-shot learning benchmarks. However, such success often ignores the similarity between training and testing tasks, resulting in a potential bias evaluation. We, therefore, propose a generative approach based on a variant of Latent Dirichlet Allocation to analyse task similarity to optimise and better understand the performance of meta-learning. We demonstrate that the proposed method can provide an insightful evaluation for meta-learning algorithms on two few-shot classification benchmarks that matches common intuition: the more similar the higher performance. Based on this similarity measure, we propose a task-selection strategy for meta-learning and show that it can produce more accurate classification results than methods that randomly select training tasks.

Brain function relies on a precisely coordinated and dynamic balance between the functional integration and segregation of distinct neural systems. Characterizing the way in which neural systems reconfigure their interactions to give rise to distinct but hidden brain states remains an open challenge. In this paper, we propose a Bayesian model-based characterization of latent brain states and showcase a novel method based on posterior predictive discrepancy using the latent block model to detect transitions between latent brain states in blood oxygen level-dependent (BOLD) time series. The set of estimated parameters in the model includes a latent label vector that assigns network nodes to communities, and also block model parameters that reflect the weighted connectivity within and between communities. Besides extensive in-silico model evaluation, we also provide empirical validation (and replication) using the Human Connectome Project (HCP) dataset of 100 healthy adults. Our results obtained through an analysis of task-fMRI data during working memory performance show appropriate lags between external task demands and change-points between brain states, with distinctive community patterns distinguishing fixation, low-demand and high-demand task conditions.

Data mining techniques can be used to discover useful patterns by exploring and analyzing data and it's feasible to synergitically combine machine learning tools to discover fuzzy classification rules.In this paper, an adaptive Neuro fuzzy network with TSK fuzzy type and an improved quantum subtractive clustering has been developed. Quantum clustering (QC) is an intuition from quantum mechanics which uses Schrodinger potential and time-consuming gradient descent method. The principle advantage and shortcoming of QC is analyzed and based on its shortcomings, an improved algorithm through a subtractive clustering method is proposed. Cluster centers represent a general model with essential characteristics of data which can be use as premise part of fuzzy rules.The experimental results revealed that proposed Anfis based on quantum subtractive clustering yielded good approximation and generalization capabilities and impressive decrease in the number of fuzzy rules and network output accuracy in comparison with traditional methods.