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Verification of probabilistic forecasts for extreme events has been a very active field of research, stirred by media and public opinions who naturally focus their attention on extreme events, and easily draw biased onclusions. In this context, classical verification methodologies tailored for extreme events, such as thresholded and weighted scoring rules, have undesirable properties that cannot be mitigated; the well-known Continuous Ranked Probability Score (CRPS) makes no exception. In this paper, we define a formal framework to assess the behavior of forecast evaluation procedures with respect to extreme events, that we use to point out that assessment based on the expectation of a proper score is not suitable for extremes. As an alternative, we propose to study the properties of the CRPS as a random variable using extreme value theory to address extreme events verification. To compare calibrated forecasts, an index is introduced that summarizes the ability of probabilistic forecasts to predict extremes. Its strengths and limitations are discussed using both theoretical arguments and simulations.

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This work proposes a new framework of model reduction for parametric complex systems. The framework employs a popular model reduction technique dynamic mode decomposition (DMD), which is capable of combining data-driven learning and physics ingredients based on the Koopman operator theory. In the offline step of the proposed framework, DMD constructs a low-rank linear surrogate model for the high dimensional quantities of interest (QoIs) derived from the (nonlinear) complex high fidelity models (HFMs) of unknown forms. Then in the online step, the resulting local reduced order bases (ROBs) and parametric reduced order models (PROMs) at the training parameter sample points are interpolated to construct a new PROM with the corresponding ROB for a new set of target/test parameter values. The interpolations need to be done on the appropriate manifolds within consistent sets of generalized coordinates. The proposed framework is illustrated by numerical examples for both linear and nonlinear problems. In particular, its advantages in computational costs and accuracy are demonstrated by the comparisons with projection-based proper orthogonal decomposition (POD)-PROM and Kriging.

For relational structures A, B of the same signature, the Promise Constraint Satisfaction Problem PCSP(A,B) asks whether a given input structure maps homomorphically to A or does not even map to B. We are promised that the input satisfies exactly one of these two cases. If there exists a structure C with homomorphisms $A\to C\to B$, then PCSP(A,B) reduces naturally to CSP(C). To the best of our knowledge all known tractable PCSPs reduce to tractable CSPs in this way. However Barto showed that some PCSPs over finite structures A, B require solving CSPs over infinite C. We show that even when such a reduction to finite C is possible, this structure may become arbitrarily large. For every integer $n>1$ and every prime p we give A, B of size n with a single relation of arity $n^p$ such that PCSP(A, B) reduces via a chain of homomorphisms $ A\to C\to B$ to a tractable CSP over some C of size p but not over any smaller structure. In a second family of examples, for every prime $p\geq 7$ we construct A, B of size $p-1$ with a single ternary relation such that PCSP(A, B) reduces via $A\to C\to B$ to a tractable CSP over some C of size p but not over any smaller structure. In contrast we show that if A, B are graphs and PCSP(A,B) reduces to tractable CSP(C) for some finite digraph C, then already A or B has a tractable CSP. This extends results and answers a question of Deng et al.

The link prediction task on knowledge graphs without explicit negative triples in the training data motivates the usage of rank-based metrics. Here, we review existing rank-based metrics and propose desiderata for improved metrics to address lack of interpretability and comparability of existing metrics to datasets of different sizes and properties. We introduce a simple theoretical framework for rank-based metrics upon which we investigate two avenues for improvements to existing metrics via alternative aggregation functions and concepts from probability theory. We finally propose several new rank-based metrics that are more easily interpreted and compared accompanied by a demonstration of their usage in a benchmarking of knowledge graph embedding models.

Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.

Modern web services routinely provide REST APIs for clients to access their functionality. These APIs present unique challenges and opportunities for automated testing, driving the recent development of many techniques and tools that generate test cases for API endpoints using various strategies. Understanding how these techniques compare to one another is difficult, as they have been evaluated on different benchmarks and using different metrics. To fill this gap, we performed an empirical study aimed to understand the landscape in automated testing of REST APIs and guide future research in this area. We first identified, through a systematic selection process, a set of 10 state-of-the-art REST API testing tools that included tools developed by both researchers and practitioners. We then applied these tools to a benchmark of 20 real-world open-source RESTful services and analyzed their performance in terms of code coverage achieved and unique failures triggered. This analysis allowed us to identify strengths, weaknesses, and limitations of the tools considered and of their underlying strategies, as well as implications of our findings for future research in this area.

The metriplectic formalism is useful for describing complete dynamical systems which conserve energy and produce entropy. This creates challenges for model reduction, as the elimination of high-frequency information will generally not preserve the metriplectic structure which governs long-term stability of the system. Based on proper orthogonal decomposition, a provably convergent metriplectic reduced-order model is formulated which is guaranteed to maintain the algebraic structure necessary for energy conservation and entropy formation. Numerical results on benchmark problems show that the proposed method is remarkably stable, leading to improved accuracy over long time scales at a moderate increase in cost over naive methods.

The instrumental variable method is widely used in the health and social sciences for identification and estimation of causal effects in the presence of potentially unmeasured confounding. In order to improve efficiency, multiple instruments are routinely used, leading to concerns about bias due to possible violation of the instrumental variable assumptions. To address this concern, we introduce a new class of g-estimators that are guaranteed to remain consistent and asymptotically normal for the causal effect of interest provided that a set of at least $\gamma$ out of $K$ candidate instruments are valid, for $\gamma\leq K$ set by the analyst ex ante, without necessarily knowing the identities of the valid and invalid instruments. We provide formal semiparametric efficiency theory supporting our results. Both simulation studies and applications to the UK Biobank data demonstrate the superior empirical performance of our estimators compared to competing methods.

We present a novel static analysis technique to derive higher moments for program variables for a large class of probabilistic loops with potentially uncountable state spaces. Our approach is fully automatic, meaning it does not rely on externally provided invariants or templates. We employ algebraic techniques based on linear recurrences and introduce program transformations to simplify probabilistic programs while preserving their statistical properties. We develop power reduction techniques to further simplify the polynomial arithmetic of probabilistic programs and define the theory of moment-computable probabilistic loops for which higher moments can precisely be computed. Our work has applications towards recovering probability distributions of random variables and computing tail probabilities. The empirical evaluation of our results demonstrates the applicability of our work on many challenging examples.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Deep Learning has implemented a wide range of applications and has become increasingly popular in recent years. The goal of multimodal deep learning is to create models that can process and link information using various modalities. Despite the extensive development made for unimodal learning, it still cannot cover all the aspects of human learning. Multimodal learning helps to understand and analyze better when various senses are engaged in the processing of information. This paper focuses on multiple types of modalities, i.e., image, video, text, audio, body gestures, facial expressions, and physiological signals. Detailed analysis of past and current baseline approaches and an in-depth study of recent advancements in multimodal deep learning applications has been provided. A fine-grained taxonomy of various multimodal deep learning applications is proposed, elaborating on different applications in more depth. Architectures and datasets used in these applications are also discussed, along with their evaluation metrics. Last, main issues are highlighted separately for each domain along with their possible future research directions.

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