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Opioids are an effective analgesic for acute and chronic pain, but also carry a considerable risk of addiction leading to millions of opioid use disorder (OUD) cases and tens of thousands of premature deaths in the United States yearly. Estimating OUD risk prior to prescription could improve the efficacy of treatment regimens, monitoring programs, and intervention strategies, but risk estimation is typically based on self-reported data or questionnaires. We develop an experimental design and computational methods that combines genetic variants associated with OUD with behavioral features extracted from GPS and Wi-Fi spatiotemporal coordinates to assess OUD risk. Since both OUD mobility and genetic data do not exist for the same cohort, we develop algorithms to (1) generate mobility features from empirical distributions and (2) synthesize mobility and genetic samples assuming a level of comorbidity and relative risks. We show that integrating genetic and mobility modalities improves risk modelling using classification accuracy, area under the precision-recall and receiver operator characteristic curves, and $F_1$ score. Interpreting the fitted models suggests that mobility features have more influence on OUD risk, although the genetic contribution was significant, particularly in linear models. While there exists concerns with respect to privacy, security, bias, and generalizability that must be evaluated in clinical trials before being implemented in practice, our framework provides preliminary evidence that behavioral and genetic features may improve OUD risk estimation to assist with personalized clinical decision-making.

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The application of eigenvalue theory to dual quaternion Hermitian matrix holds significance in the realm of multi-agent formation control. In this paper, we focus on the numerical algorithm for the right eigenvalue of a dual quaternion Hermitian matrix. Rayleigh quotient iteration is proposed for computing the extreme eigenvalue with the associated eigenvector of the dual quaternion Hermitian matrix. We also derive an analysis of the convergence characteristics of the Rayleigh quotient iteration, which exhibits a local convergence rate of cubic. Numerical examples are provided to illustrate the efficiency of the proposed Rayleigh quotient iteration for the dual quaternion Hermitian eigenvalue problem.

Creating accurate and geologically realistic reservoir facies based on limited measurements is crucial for field development and reservoir management, especially in the oil and gas sector. Traditional two-point geostatistics, while foundational, often struggle to capture complex geological patterns. Multi-point statistics offers more flexibility, but comes with its own challenges. With the rise of Generative Adversarial Networks (GANs) and their success in various fields, there has been a shift towards using them for facies generation. However, recent advances in the computer vision domain have shown the superiority of diffusion models over GANs. Motivated by this, a novel Latent Diffusion Model is proposed, which is specifically designed for conditional generation of reservoir facies. The proposed model produces high-fidelity facies realizations that rigorously preserve conditioning data. It significantly outperforms a GAN-based alternative.

A cascadic tensor multigrid method and an economic cascadic tensor multigrid method is presented for solving the image restoration models. The methods use quadratic interpolation as prolongation operator to provide more accurate initial values for the next fine grid level, and constructs a preserving-edge-denoising operator to obtain better edges and remove noise. The experimental results show that the new methods not only improves computational efficiency but also achieve better restoration quality.

Kernel ridge regression, KRR, is a generalization of linear ridge regression that is non-linear in the data, but linear in the parameters. The solution can be obtained either as a closed-form solution, which includes a matrix inversion, or iteratively through gradient descent. Using the iterative approach opens up for changing the kernel during training, something that is investigated in this paper. We theoretically address the effects this has on model complexity and generalization. Based on our findings, we propose an update scheme for the bandwidth of translational-invariant kernels, where we let the bandwidth decrease to zero during training, thus circumventing the need for hyper-parameter selection. We demonstrate on real and synthetic data how decreasing the bandwidth during training outperforms using a constant bandwidth, selected by cross-validation and marginal likelihood maximization. We also show theoretically and empirically that using a decreasing bandwidth, we are able to achieve both zero training error in combination with good generalization, and a double descent behavior, phenomena that do not occur for KRR with constant bandwidth but are known to appear for neural networks.

Submodular maximization under various constraints is a fundamental problem studied continuously, in both computer science and operations research, since the late $1970$'s. A central technique in this field is to approximately optimize the multilinear extension of the submodular objective, and then round the solution. The use of this technique requires a solver able to approximately maximize multilinear extensions. Following a long line of work, Buchbinder and Feldman (2019) described such a solver guaranteeing $0.385$-approximation for down-closed constraints, while Oveis Gharan and Vondr\'ak (2011) showed that no solver can guarantee better than $0.478$-approximation. In this paper, we present a solver guaranteeing $0.401$-approximation, which significantly reduces the gap between the best known solver and the inapproximability result. The design and analysis of our solver are based on a novel bound that we prove for DR-submodular functions. This bound improves over a previous bound due to Feldman et al. (2011) that is used by essentially all state-of-the-art results for constrained maximization of general submodular/DR-submodular functions. Hence, we believe that our new bound is likely to find many additional applications in related problems, and to be a key component for further improvement.

We develop a general theory to optimize the frequentist regret for sequential learning problems, where efficient bandit and reinforcement learning algorithms can be derived from unified Bayesian principles. We propose a novel optimization approach to generate "algorithmic beliefs" at each round, and use Bayesian posteriors to make decisions. The optimization objective to create "algorithmic beliefs," which we term "Algorithmic Information Ratio," represents an intrinsic complexity measure that effectively characterizes the frequentist regret of any algorithm. To the best of our knowledge, this is the first systematical approach to make Bayesian-type algorithms prior-free and applicable to adversarial settings, in a generic and optimal manner. Moreover, the algorithms are simple and often efficient to implement. As a major application, we present a novel algorithm for multi-armed bandits that achieves the "best-of-all-worlds" empirical performance in the stochastic, adversarial, and non-stationary environments. And we illustrate how these principles can be used in linear bandits, bandit convex optimization, and reinforcement learning.

A recent development in Bayesian optimization is the use of local optimization strategies, which can deliver strong empirical performance on high-dimensional problems compared to traditional global strategies. The "folk wisdom" in the literature is that the focus on local optimization sidesteps the curse of dimensionality; however, little is known concretely about the expected behavior or convergence of Bayesian local optimization routines. We first study the behavior of the local approach, and find that the statistics of individual local solutions of Gaussian process sample paths are surprisingly good compared to what we would expect to recover from global methods. We then present the first rigorous analysis of such a Bayesian local optimization algorithm recently proposed by M\"uller et al. (2021), and derive convergence rates in both the noisy and noiseless settings.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.

We study how to generate captions that are not only accurate in describing an image but also discriminative across different images. The problem is both fundamental and interesting, as most machine-generated captions, despite phenomenal research progresses in the past several years, are expressed in a very monotonic and featureless format. While such captions are normally accurate, they often lack important characteristics in human languages - distinctiveness for each caption and diversity for different images. To address this problem, we propose a novel conditional generative adversarial network for generating diverse captions across images. Instead of estimating the quality of a caption solely on one image, the proposed comparative adversarial learning framework better assesses the quality of captions by comparing a set of captions within the image-caption joint space. By contrasting with human-written captions and image-mismatched captions, the caption generator effectively exploits the inherent characteristics of human languages, and generates more discriminative captions. We show that our proposed network is capable of producing accurate and diverse captions across images.

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