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Bayesian Sequential Optimal Experimental Design for Nonlinear Models Using Policy Gradient Reinforcement Learning

arXiv.org Machine Learning

We present a mathematical framework and computational methods to optimally design a finite number of sequential experiments. We formulate this sequential optimal experimental design (sOED) problem as a finite-horizon partially observable Markov decision process (POMDP) in a Bayesian setting and with information-theoretic utilities. It is built to accommodate continuous random variables, general non-Gaussian posteriors, and expensive nonlinear forward models. sOED then seeks an optimal design policy that incorporates elements of both feedback and lookahead, generalizing the suboptimal batch and greedy designs. We solve for the sOED policy numerically via policy gradient (PG) methods from reinforcement learning, and derive and prove the PG expression for sOED. Adopting an actor-critic approach, we parameterize the policy and value functions using deep neural networks and improve them using gradient estimates produced from simulated episodes of designs and observations. The overall PG-sOED method is validated on a linear-Gaussian benchmark, and its advantages over batch and greedy designs are demonstrated through a contaminant source inversion problem in a convection-diffusion field.


Coresets for Time Series Clustering

arXiv.org Machine Learning

We study the problem of constructing coresets for clustering problems with time series data. This problem has gained importance across many fields including biology, medicine, and economics due to the proliferation of sensors facilitating real-time measurement and rapid drop in storage costs. In particular, we consider the setting where the time series data on $N$ entities is generated from a Gaussian mixture model with autocorrelations over $k$ clusters in $\mathbb{R}^d$. Our main contribution is an algorithm to construct coresets for the maximum likelihood objective for this mixture model. Our algorithm is efficient, and under a mild boundedness assumption on the covariance matrices of the underlying Gaussians, the size of the coreset is independent of the number of entities $N$ and the number of observations for each entity, and depends only polynomially on $k$, $d$ and $1/\varepsilon$, where $\varepsilon$ is the error parameter. We empirically assess the performance of our coreset with synthetic data.


Concept and Attribute Reduction Based on Rectangle Theory of Formal Concept

arXiv.org Artificial Intelligence

Based on rectangle theory of formal concept and set covering theory, the concept reduction preserving binary relations is investigated in this paper. It is known that there are three types of formal concepts: core concepts, relative necessary concepts and unnecessary concepts. First, we present the new judgment results for relative necessary concepts and unnecessary concepts. Second, we derive the bounds for both the maximum number of relative necessary concepts and the maximum number of unnecessary concepts and it is a difficult problem as either in concept reduction preserving binary relations or attribute reduction of decision formal contexts, the computation of formal contexts from formal concepts is a challenging problem. Third, based on rectangle theory of formal concept, a fast algorithm for reducing attributes while preserving the extensions for a set of formal concepts is proposed using the extension bit-array technique, which allows multiple context cells to be processed by a single 32-bit or 64-bit operator. Technically, the new algorithm could store both formal context and extent of a concept as bit-arrays, and we can use bit-operations to process set operations "or" as well as "and". One more merit is that the new algorithm does not need to consider other concepts in the concept lattice, thus the algorithm is explicit to understand and fast. Experiments demonstrate that the new algorithm is effective in the computation of attribute reductions.


An $\ell^p$-based Kernel Conditional Independence Test

arXiv.org Machine Learning

We propose a new computationally efficient test for conditional independence based on the $L^{p}$ distance between two kernel-based representatives of well suited distributions. By evaluating the difference of these two representatives at a finite set of locations, we derive a finite dimensional approximation of the $L^{p}$ metric, obtain its asymptotic distribution under the null hypothesis of conditional independence and design a simple statistical test from it. The test obtained is consistent and computationally efficient. We conduct a series of experiments showing that the performance of our new tests outperforms state-of-the-art methods both in term of statistical power and type-I error even in the high dimensional setting.


Convolutional Deep Exponential Families

arXiv.org Machine Learning

We describe convolutional deep exponential families (CDEFs) in this paper. CDEFs are built based on deep exponential families, deep probabilistic models that capture the hierarchical dependence between latent variables. CDEFs greatly reduce the number of free parameters by tying the weights of DEFs. Our experiments show that CDEFs are able to uncover time correlations with a small amount of data.


Warped Dynamic Linear Models for Time Series of Counts

arXiv.org Machine Learning

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, and probabilistic forecasting. However, the options for count time series are limited: Gaussian DLMs require continuous data, while Poisson-based alternatives often lack sufficient modeling flexibility. We introduce a novel methodology for count time series by warping a Gaussian DLM. The warping function has two components: a transformation operator that provides distributional flexibility and a rounding operator that ensures the correct support for the discrete data-generating process. Importantly, we develop conjugate inference for the warped DLM, which enables analytic and recursive updates for the state space filtering and smoothing distributions. We leverage these results to produce customized and efficient computing strategies for inference and forecasting, including Monte Carlo simulation for offline analysis and an optimal particle filter for online inference. This framework unifies and extends a variety of discrete time series models and is valid for natural counts, rounded values, and multivariate observations. Simulation studies illustrate the excellent forecasting capabilities of the warped DLM. The proposed approach is applied to a multivariate time series of daily overdose counts and demonstrates both modeling and computational successes.


Diversity Enhanced Active Learning with Strictly Proper Scoring Rules

arXiv.org Artificial Intelligence

We study acquisition functions for active learning (AL) for text classification. The Expected Loss Reduction (ELR) method focuses on a Bayesian estimate of the reduction in classification error, recently updated with Mean Objective Cost of Uncertainty (MOCU). We convert the ELR framework to estimate the increase in (strictly proper) scores like log probability or negative mean square error, which we call Bayesian Estimate of Mean Proper Scores (BEMPS). We also prove convergence results borrowing techniques used with MOCU. In order to allow better experimentation with the new acquisition functions, we develop a complementary batch AL algorithm, which encourages diversity in the vector of expected changes in scores for unlabelled data. To allow high performance text classifiers, we combine ensembling and dynamic validation set construction on pretrained language models. Extensive experimental evaluation then explores how these different acquisition functions perform. The results show that the use of mean square error and log probability with BEMPS yields robust acquisition functions, which consistently outperform the others tested.


Dream to Explore: Adaptive Simulations for Autonomous Systems

arXiv.org Artificial Intelligence

One's ability to learn a generative model of the world without supervision depends on the extent to which one can construct abstract knowledge representations that generalize across experiences. To this end, capturing an accurate statistical structure from observational data provides useful inductive biases that can be transferred to novel environments. Here, we tackle the problem of learning to control dynamical systems by applying Bayesian nonparametric methods, which is applied to solve visual servoing tasks. This is accomplished by first learning a state space representation, then inferring environmental dynamics and improving the policies through imagined future trajectories. Bayesian nonparametric models provide automatic model adaptation, which not only combats underfitting and overfitting, but also allows the model's unbounded dimension to be both flexible and computationally tractable. By employing Gaussian processes to discover latent world dynamics, we mitigate common data efficiency issues observed in reinforcement learning and avoid introducing explicit model bias by describing the system's dynamics. Our algorithm jointly learns a world model and policy by optimizing a variational lower bound of a log-likelihood with respect to the expected free energy minimization objective function. Finally, we compare the performance of our model with the state-of-the-art alternatives for continuous control tasks in simulated environments.


Scalable Bayesian Network Structure Learning with Splines

arXiv.org Machine Learning

A Bayesian Network (BN) is a probabilistic graphical model consisting of a directed acyclic graph (DAG), where each node is a random variable represented as a function of its parents. We present a novel approach capable of learning the global DAG structure of a BN and modelling linear and non-linear local relationships between variables. We achieve this by a combination of feature selection to reduce the search space for local relationships, and extending the widely used score-and-search approach to support modelling relationships between variables as Multivariate Adaptive Regression Splines (MARS). MARS are polynomial regression models represented as piecewise spline functions - this lets us model non-linear relationships without the risk of overfitting that a single polynomial regression model would bring. The combination allows us to learn relationships in all bnlearn benchmark instances within minutes and enables us to scale to networks of over a thousand nodes


Spike-and-Slab Generalized Additive Models and Scalable Algorithms for High-Dimensional Data

arXiv.org Machine Learning

There are proposals that extend the classical generalized additive models (GAMs) to accommodate high-dimensional data ($p>>n$) using group sparse regularization. However, the sparse regularization may induce excess shrinkage when estimating smoothing functions, damaging predictive performance. Moreover, most of these GAMs consider an "all-in-all-out" approach for functional selection, rendering them difficult to answer if nonlinear effects are necessary. While some Bayesian models can address these shortcomings, using Markov chain Monte Carlo algorithms for model fitting creates a new challenge, scalability. Hence, we propose Bayesian hierarchical generalized additive models as a solution: we consider the smoothing penalty for proper shrinkage of curve interpolation and separation of smoothing function linear and nonlinear spaces. A novel spike-and-slab spline prior is proposed to select components of smoothing functions. Two scalable and deterministic algorithms, EM-Coordinate Descent and EM-Iterative Weighted Least Squares, are developed for different utilities. Simulation studies and metabolomics data analyses demonstrate improved predictive or computational performance against state-of-the-art models, mgcv, COSSO and sparse Bayesian GAM. The software implementation of the proposed models is freely available via an R package BHAM.