This work presents a new procedure for obtaining predictive distributions in the context of Gaussian process (GP) modeling, with a relaxation of the interpolation constraints outside some ranges of interest: the mean of the predictive distributions no longer necessarily interpolates the observed values when they are outside ranges of interest, but are simply constrained to remain outside. This method called relaxed Gaussian process (reGP) interpolation provides better predictive distributions in ranges of interest, especially in cases where a stationarity assumption for the GP model is not appropriate. It can be viewed as a goal-oriented method and becomes particularly interesting in Bayesian optimization, for example, for the minimization of an objective function, where good predictive distributions for low function values are important. When the expected improvement criterion and reGP are used for sequentially choosing evaluation points, the convergence of the resulting optimization algorithm is theoretically guaranteed (provided that the function to be optimized lies in the reproducing kernel Hilbert spaces attached to the known covariance of the underlying Gaussian process). Experiments indicate that using reGP instead of stationary GP models in Bayesian optimization is beneficial.

In this work, we investigated the application of score-based gradient learning in discriminative and generative classification settings. Score function can be used to characterize data distribution as an alternative to density. It can be efficiently learned via score matching, and used to flexibly generate credible samples to enhance discriminative classification quality, to recover density and to build generative classifiers. We analysed the decision theories involving score-based representations, and performed experiments on simulated and real-world datasets, demonstrating its effectiveness in achieving and improving binary classification performance, and robustness to perturbations, particularly in high dimensions and imbalanced situations.

A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses, including diagnosis or prognosis of diseases and finding effective treatments for chronic diseases such as cancer. Boolean networks have emerged as a successful class of models for capturing the behavior of GRNs. In most practical settings, inference of GRNs should be achieved through limited and temporally sparse genomics data. A large number of genes in GRNs leads to a large possible topology candidate space, which often cannot be exhaustively searched due to the limitation in computational resources. This paper develops a scalable and efficient topology inference for GRNs using Bayesian optimization and kernel-based methods. Rather than an exhaustive search over possible topologies, the proposed method constructs a Gaussian Process (GP) with a topology-inspired kernel function to account for correlation in the likelihood function. Then, using the posterior distribution of the GP model, the Bayesian optimization efficiently searches for the topology with the highest likelihood value by optimally balancing between exploration and exploitation. The performance of the proposed method is demonstrated through comprehensive numerical experiments using a well-known mammalian cell-cycle network.

Using Bayes's theorem, we derive a unit-wise recurrence as well as a backward recursion similar to the forward-backward algorithm. The resulting Bayesian recurrent units can be integrated as recurrent neural networks within deep learning frameworks, while retaining a probabilistic interpretation from the direct correspondence with hidden Markov models. Whilst the contribution is mainly theoretical, experiments on speech recognition indicate that adding the derived units at the end of state-of-the-art recurrent architectures can improve the performance at a very low cost in terms of trainable parameters.

Target detection in hyperspectral imagery is the process of locating pixels from an image which are likely to contain target, typically done by comparing one or more spectra for the desired target material to each pixel in the image. Target identification is the process of target detection incorporating an additional process to identify more specifically the material that is present in each pixel that scored high in detection. Detection is generally a 2-class problem of target vs. background, and identification is a many class problem including target, background, and additional know materials. The identification process we present is probabilistic and hierarchical which provides transparency to the process and produces trustworthy output. In this paper we show that target identification has a much lower false alarm rate than detection alone, and provide a detailed explanation of a robust identification method using probabilistic hierarchical classification that handles the vague categories of materials that depend on users which are different than the specific physical categories of chemical constituents. Identification is often done by comparing mixtures of materials including the target spectra to mixtures of materials that do not include the target spectra, possibly with other steps. (band combinations, feature checking, background removal, etc.) Standard linear regression does not handle these problems well because the number of regressors (identification spectra) is greater than the number of feature variables (bands), and there are multiple correlated spectra. Our proposed method handles these challenges efficiently and provides additional important practical information in the form of hierarchical probabilities computed from Bayesian model averaging.

In this paper we provide classification In this paper we will be working hyperspectral pixel data methods for determining crop type in the USGS collected using the NASA Hyperion satellite [3] and organized GHISACONUS data, which contains around 7,000 pixel spectra and meticulously labeled by the USGS. This data, available from the five major U.S. agricultural crops (winter wheat, online from the USGS as the Global Hyperspectral Imaging rice, corn, soybeans, and cotton) collected by the NASA Spectral-library of Agricultural crops for Conterminous United Hyperion satellite, and includes the spectrum, geolocation, States (GHISACONUS) [4], is a library of 6,988 spectra, each crop type, and stage of growth for each pixel. We apply of which is labeled as one of the five major agricultural crops standard LDA and QDA as well as Bayesian custom versions (e.g., winter wheat, rice, corn, soybeans, and cotton) collected that compute the joint probability of crop type and stage, and between 2008 and 2015. The locations for the spectra in the then the marginal probability for crop type, outperforming GHISACONUS library are shown in Figure 1.

Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This perspective enables us to reason about the effects of changes to this process (interventions) and what would have happened in hindsight (counterfactuals). We categorize work in CausalML into five groups according to the problems they address: (1) causal supervised learning, (2) causal generative modeling, (3) causal explanations, (4) causal fairness, and (5) causal reinforcement learning. We systematically compare the methods in each category and point out open problems. Further, we review data-modality-specific applications in computer vision, natural language processing, and graph representation learning. Finally, we provide an overview of causal benchmarks and a critical discussion of the state of this nascent field, including recommendations for future work.

Normalizing flows, diffusion normalizing flows and variational autoencoders are powerful generative models. This chapter provides a unified framework to handle these approaches via Markov chains. We consider stochastic normalizing flows as a pair of Markov chains fulfilling some properties and show how many state-of-the-art models for data generation fit into this framework. Indeed numerical simulations show that including stochastic layers improves the expressivity of the network and allows for generating multimodal distributions from unimodal ones. The Markov chains point of view enables us to couple both deterministic layers as invertible neural networks and stochastic layers as Metropolis-Hasting layers, Langevin layers, variational autoencoders and diffusion normalizing flows in a mathematically sound way. Our framework establishes a useful mathematical tool to combine the various approaches.

Security is one of the major concerns in Industrial Wireless Sensor Networks (IWSNs). To assure the security in clustered IWSNs, this paper presents a secure clustering protocol with fuzzy trust evaluation and outlier detection (SCFTO). Firstly, to deal with the transmission uncertainty in an open wireless medium, an interval type-2 fuzzy logic controller is adopted to estimate the trusts. And then a density based outlier detection mechanism is introduced to acquire an adaptive trust threshold used to isolate the malicious nodes from being cluster heads. Finally, a fuzzy based cluster heads election method is proposed to achieve a balance between energy saving and security assurance, so that a normal sensor node with more residual energy or less confidence on other nodes has higher probability to be the cluster head. Extensive experiments verify that our secure clustering protocol can effectively defend the network against attacks from internal malicious or compromised nodes.

Examples can be found in all areas of engineering and science, for instance plant breeding (Hunter & McClosky, 2016), aircraft maintenance (Mattila & Virtanen, 2014) or electric network planning (Dutrieux et al., 2015b). In this work, we choose to focus on Bayesian optimization algorithms, which use probabilistic models to make predictions about the functions to be optimized. One of the classical algorithms for Bayesian deterministic multi-objective optimization is the ParEGO algorithm (Knowles, 2006). It relies on a scalarization approach to extend the very popular single-objective Efficient Global Optimization (EGO) algorithm (Jones et al., 1998), based on the Expected Improvement (EI) criterion. Another scalarization approach, called multi-attribute Knowledge Gradient (Astudillo & Frazier, 2017), uses the Knowledge Gradient (KG) criterion instead of the EI criterion.