Gaussian Process (GPs) models are a rich distribution over functions with inductive biases controlled by a kernel function. Learning occurs through the optimisation of kernel hyperparameters using the marginal likelihood as the objective. This classical approach known as Type-II maximum likelihood (ML-II) yields point estimates of the hyperparameters, and continues to be the default method for training GPs. However, this approach risks underestimating predictive uncertainty and is prone to overfitting especially when there are many hyperparameters. Furthermore, gradient based optimisation makes ML-II point estimates highly susceptible to the presence of local minima. This work presents an alternative learning procedure where the hyperparameters of the kernel function are marginalised using Nested Sampling (NS), a technique that is well suited to sample from complex, multi-modal distributions. We focus on regression tasks with the spectral mixture (SM) class of kernels and find that a principled approach to quantifying model uncertainty leads to substantial gains in predictive performance across a range of synthetic and benchmark data sets. In this context, nested sampling is also found to offer a speed advantage over Hamiltonian Monte Carlo (HMC), widely considered to be the gold-standard in MCMC based inference.

We apply some of the latest techniques from machine-learning to the arithmetic of hyperelliptic curves. More precisely we show that, with impressive accuracy and confidence (between 99 and 100 percent precision), and in very short time (matter of seconds on an ordinary laptop), a Bayesian classifier can distinguish between Sato-Tate groups given a small number of Euler factors for the L-function. Our observations are in keeping with the Sato-Tate conjecture for curves of low genus. For elliptic curves, this amounts to distinguishing generic curves (with Sato-Tate group SU(2)) from those with complex multiplication. In genus 2, a principal component analysis is observed to separate the generic Sato-Tate group USp(4) from the non-generic groups. Furthermore in this case, for which there are many more non-generic possibilities than in the case of elliptic curves, we demonstrate an accurate characterisation of several Sato-Tate groups with the same identity component. Throughout, our observations are verified using known results from the literature and the data available in the LMFDB. The results in this paper suggest that a machine can be trained to learn the Sato-Tate distributions and may be able to classify curves much more efficiently than the methods available in the literature.

Neural processes (NPs) constitute a family of variational approximate models for stochastic processes with promising properties in computational efficiency and uncertainty quantification. These processes use neural networks with latent variable inputs to induce predictive distributions. However, the expressiveness of vanilla NPs is limited as they only use a global latent variable, while target specific local variation may be crucial sometimes. To address this challenge, we investigate NPs systematically and present a new variant of NP model that we call Doubly Stochastic Variational Neural Process (DSVNP). This model combines the global latent variable and local latent variables for prediction. We evaluate this model in several experiments, and our results demonstrate competitive prediction performance in multi-output regression and uncertainty estimation in classification.

Brittle optimization has been observed to adversely impact model likelihoods for regression and VAEs when simultaneously fitting neural network mappings from a (random) variable onto the mean and variance of a dependent Gaussian variable. Previous works have bolstered optimization and improved likelihoods, but fail other basic posterior predictive checks (PPCs). Under the PPC framework, we propose critiques to test predictive mean and variance calibration and the predictive distribution's ability to generate sensible data. We find that our attractively simple solution, to treat heteroscedastic variance variationally, sufficiently regularizes variance to pass these PPCs. We consider a diverse gamut of existing and novel priors and find our methods preserve or outperform existing model likelihoods while significantly improving parameter calibration and sample quality for regression and VAEs.

Clinical decision making about treatments and interventions based on personal characteristics leads to effective health improvement. Machine learning (ML) has been the central concern of the diagnosis support and disease prediction based on comprehensive patient information. Because the black-box problem in ML is serious for medical applications, explainable artificial intelligence (XAI) techniques to explain the reasons for ML models predictions have been focused. A remaining important issue in clinical situations is discovery of concrete and realistic treatment processes. This paper proposes an innovative framework to plan concrete treatment processes based on an ML model. A key point of our proposed framework is to evaluate an "actionability" of the treatment process using a stochastic surrogate model constructed through hierarchical Bayesian modeling. The actionability is an essential concept for suggesting a realistic treatment process, which leads to clinical applications for personal health improvement. This paper also presents two experiments to evaluate our framework. We first demonstrate the feasibility of our framework from the viewpoint of the methodology using a synthetic dataset. Subsequently, our framework is applied to an actual health checkup dataset, which comprises 3,132 participants, considering an application to improve systolic blood pressure values at a personal level. We confirmed that the computed treatment processes are actionable and consistent with clinical knowledge for lowering blood pressure. These results demonstrate that our framework can contribute to decision making in the medical field. Our framework can be expected to provide clinicians deeper insights by proposing concrete and actionable treatment process based on the ML model.

A fundamental question in neuroscience is how the brain creates an internal model of the world to guide actions using sequences of ambiguous sensory information. This is naturally formulated as a reinforcement learning problem under partial observations, where an agent must estimate relevant latent variables in the world from its evidence, anticipate possible future states, and choose actions that optimize total expected reward. This problem can be solved by control theory, which allows us to find the optimal actions for a given system dynamics and objective function. However, animals often appear to behave suboptimally. Why? We hypothesize that animals have their own flawed internal model of the world, and choose actions with the highest expected subjective reward according to that flawed model. We describe this behavior as rational but not optimal. The problem of Inverse Rational Control (IRC) aims to identify which internal model would best explain an agent's actions. Our contribution here generalizes past work on Inverse Rational Control which solved this problem for discrete control in partially observable Markov decision processes. Here we accommodate continuous nonlinear dynamics and continuous actions, and impute sensory observations corrupted by unknown noise that is private to the animal. We first build an optimal Bayesian agent that learns an optimal policy generalized over the entire model space of dynamics and subjective rewards using deep reinforcement learning. Crucially, this allows us to compute a likelihood over models for experimentally observable action trajectories acquired from a suboptimal agent. We then find the model parameters that maximize the likelihood using gradient ascent.

Knowledge graph reasoning is the fundamental component to support machine learning applications such as information extraction, information retrieval and recommendation. Since knowledge graph can be viewed as the discrete symbolic representations of knowledge, reasoning on knowledge graphs can naturally leverage the symbolic techniques. However, symbolic reasoning is intolerant of the ambiguous and noisy data. On the contrary, the recent advances of deep learning promote neural reasoning on knowledge graphs, which is robust to the ambiguous and noisy data, but lacks interpretability compared to symbolic reasoning. Considering the advantages and disadvantages of both methodologies, recent efforts have been made on combining the two reasoning methods. In this survey, we take a thorough look at the development of the symbolic reasoning, neural reasoning and the neural-symbolic reasoning on knowledge graphs. We survey two specific reasoning tasks, knowledge graph completion and question answering on knowledge graphs, and explain them in a unified reasoning framework. We also briefly discuss the future directions for knowledge graph reasoning.

We present a theoretical and algorithmic study of the multiple-source domain adaptation problem in the common scenario where the learner has access only to a limited amount of labeled target data, but where the learner has at disposal a large amount of labeled data from multiple source domains. We show that a new family of algorithms based on model selection ideas benefits from very favorable guarantees in this scenario and discuss some theoretical obstacles affecting some alternative techniques. We also report the results of several experiments with our algorithms that demonstrate their practical effectiveness.

We develop a new approach to obtaining high probability regret bounds for online learning with bandit feedback against an adaptive adversary. While existing approaches all require carefully constructing optimistic and biased loss estimators, our approach uses standard unbiased estimators and relies on a simple increasing learning rate schedule, together with the help of logarithmically homogeneous self-concordant barriers and a strengthened Freedman's inequality. Besides its simplicity, our approach enjoys several advantages. First, the obtained high-probability regret bounds are data-dependent and could be much smaller than the worst-case bounds, which resolves an open problem asked by Neu (2015). Second, resolving another open problem of Bartlett et al. (2008) and Abernethy and Rakhlin (2009), our approach leads to the first general and efficient algorithm with a high-probability regret bound for adversarial linear bandits, while previous methods are either inefficient or only applicable to specific action sets. Finally, our approach can also be applied to learning adversarial Markov Decision Processes and provides the first algorithm with a high-probability small-loss bound for this problem.

We prove a Chernoff-type bound for sums of matrix-valued random variables sampled via a regular (aperiodic and irreducible) finite Markov chain. Specially, consider a random walk on a regular Markov chain and a Hermitian matrix-valued function on its state space. Our result gives exponentially decreasing bounds on the tail distributions of the extreme eigenvalues of the sample mean matrix. Our proof is based on the matrix expander (regular undirected graph) Chernoff bound [Garg et al. STOC '18] and scalar Chernoff-Hoeffding bounds for Markov chains [Chung et al. STACS '12]. Our matrix Chernoff bound for Markov chains can be applied to analyze the behavior of co-occurrence statistics for sequential data, which have been common and important data signals in machine learning. We show that given a regular Markov chain with $n$ states and mixing time $\tau$, we need a trajectory of length $O(\tau (\log{(n)}+\log{(\tau)})/\epsilon^2)$ to achieve an estimator of the co-occurrence matrix with error bound $\epsilon$. We conduct several experiments and the experimental results are consistent with the exponentially fast convergence rate from theoretical analysis. Our result gives the first bound on the convergence rate of the co-occurrence matrix and the first sample complexity analysis in graph representation learning.