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Reactive systems \`a la Leifer and Milner, an abstract categorical framework for rewriting, provide a suitable framework for deriving bisimulation congruences. This is done by synthesizing interactions with the environment in order to obtain a compositional semantics. We enrich the notion of reactive systems by conditions on two levels: first, as in earlier work, we consider rules enriched with application conditions and second, we investigate the notion of conditional bisimilarity. Conditional bisimilarity allows us to say that two system states are bisimilar provided that the environment satisfies a given condition. We present several equivalent definitions of conditional bisimilarity, including one that is useful for concrete proofs and that employs an up-to-context technique, and we compare with related behavioural equivalences. We consider examples based on DPO graph rewriting, an instantiation of reactive systems.

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We consider the Cauchy problem for the Helmholtz equation with a domain in R^d, d>2 with N cylindrical outlets to infinity with bounded inclusions in R^{d-1}. Cauchy data are prescribed on the boundary of the bounded domains and the aim is to find solution on the unbounded part of the boundary. In 1989, Kozlov and Maz'ya proposed an alternating iterative method for solving Cauchy problems associated with elliptic,self-adjoint and positive-definite operators in bounded domains. Different variants of this method for solving Cauchy problems associated with Helmholtz-type operators exists. We consider the variant proposed by Mpinganzima et al. for bounded domains and derive the necessary conditions for the convergence of the procedure in unbounded domains. For the numerical implementation, a finite difference method is used to solve the problem in a simple rectangular domain in R^2 that represent a truncated infinite strip. The numerical results shows that by appropriate truncation of the domain and with appropriate choice of the Robin parameters, the Robin-Dirichlet alternating iterative procedure is convergent.

We tackle the problem of establishing the soundness of approximate bisimilarity with respect to PCTL and its relaxed semantics. To this purpose, we consider a notion of bisimilarity similar to the one introduced by Desharnais, Laviolette, and Tracol, which is parametric with respect to an approximation error $\delta$, and to the depth $n$ of the observation along traces. Essentially, our soundness theorem establishes that, when a state $q$ satisfies a given formula up-to error $\delta$ and steps $n$, and $q$ is bisimilar to $q'$ up-to error $\delta'$ and enough steps, we prove that $q'$ also satisfies the formula up-to a suitable error $\delta"$ and steps $n$. The new error $\delta"$ is computed from $\delta$, $\delta'$ and the formula, and only depends linearly on $n$. We provide a detailed overview of our soundness proof.

Many areas of science make extensive use of computer simulators that implicitly encode likelihood functions of complex systems. Classical statistical methods are poorly suited for these so-called likelihood-free inference (LFI) settings, particularly outside asymptotic and low-dimensional regimes. Although new machine learning methods, such as normalizing flows, have revolutionized the sample efficiency and capacity of LFI methods, it remains an open question whether they produce confidence sets with correct conditional coverage for small sample sizes. This paper unifies classical statistics with modern machine learning to present (i) a practical procedure for the Neyman construction of confidence sets with finite-sample guarantees of nominal coverage, and (ii) diagnostics that estimate conditional coverage over the entire parameter space. We refer to our framework as likelihood-free frequentist inference (LF2I). Any method that defines a test statistic, like the likelihood ratio, can leverage the LF2I machinery to create valid confidence sets and diagnostics without costly Monte Carlo samples at fixed parameter settings. We study the power of two test statistics (ACORE and BFF), which, respectively, maximize versus integrate an odds function over the parameter space. Our paper discusses the benefits and challenges of LF2I, with a breakdown of the sources of errors in LF2I confidence sets.

We define a new method for taking advantage of net reductions in combination with a SMT-based model checker. Our approach consists in transforming a reachability problem about some Petri net, into the verification of an updated reachability property on a reduced version of this net. This method relies on a new state space abstraction based on systems of constraints, called polyhedral abstraction. We prove the correctness of this method using a new notion of equivalence between nets. We provide a complete framework to define and check the correctness of equivalence judgements; prove that this relation is a congruence; and give examples of basic equivalence relations that derive from structural reductions. Our approach has been implemented in a tool, named SMPT, that provides two main procedures: Bounded Model Checking (BMC) and Property Directed Reachability (PDR). Each procedure has been adapted in order to use reductions and to work with arbitrary Petri nets. We tested SMPT on a large collection of queries used in the Model Checking Contest. Our experimental results show that our approach works well, even when we only have a moderate amount of reductions.

Most deep learning models for computational imaging regress a single reconstructed image. In practice, however, ill-posedness, nonlinearity, model mismatch, and noise often conspire to make such point estimates misleading or insufficient. The Bayesian approach models images and (noisy) measurements as jointly distributed random vectors and aims to approximate the posterior distribution of unknowns. Recent variational inference methods based on conditional normalizing flows are a promising alternative to traditional MCMC methods, but they come with drawbacks: excessive memory and compute demands for moderate to high resolution images and underwhelming performance on hard nonlinear problems. In this work, we propose C-Trumpets -- conditional injective flows specifically designed for imaging problems, which greatly diminish these challenges. Injectivity reduces memory footprint and training time while low-dimensional latent space together with architectural innovations like fixed-volume-change layers and skip-connection revnet layers, C-Trumpets outperform regular conditional flow models on a variety of imaging and image restoration tasks, including limited-view CT and nonlinear inverse scattering, with a lower compute and memory budget. C-Trumpets enable fast approximation of point estimates like MMSE or MAP as well as physically-meaningful uncertainty quantification.

This paper is concerned with numerical algorithms for Biot model. By introducing an intermediate variable, the classical 2-field Biot model is written into a 3-field formulation. Based on such a 3-field formulation, we propose a coupled algorithm, some time-extrapolation based decoupled algorithms, and an iterative decoupled algorithm. Our focus is the analysis of the iterative decoupled algorithm. It is shown that the convergence of the iterative decoupled algorithm requires no extra assumptions on physical parameters or stabilization parameters. Numerical experiments are provided to demonstrate the accuracy and efficiency of the proposed method.

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.

To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a supervised learning problem, which assumes each interaction as an independent instance with side information encoded. Due to the overlook of the relations among instances or items (e.g., the director of a movie is also an actor of another movie), these methods are insufficient to distill the collaborative signal from the collective behaviors of users. In this work, we investigate the utility of knowledge graph (KG), which breaks down the independent interaction assumption by linking items with their attributes. We argue that in such a hybrid structure of KG and user-item graph, high-order relations --- which connect two items with one or multiple linked attributes --- are an essential factor for successful recommendation. We propose a new method named Knowledge Graph Attention Network (KGAT) which explicitly models the high-order connectivities in KG in an end-to-end fashion. It recursively propagates the embeddings from a node's neighbors (which can be users, items, or attributes) to refine the node's embedding, and employs an attention mechanism to discriminate the importance of the neighbors. Our KGAT is conceptually advantageous to existing KG-based recommendation methods, which either exploit high-order relations by extracting paths or implicitly modeling them with regularization. Empirical results on three public benchmarks show that KGAT significantly outperforms state-of-the-art methods like Neural FM and RippleNet. Further studies verify the efficacy of embedding propagation for high-order relation modeling and the interpretability benefits brought by the attention mechanism.

Generative Adversarial Networks (GANs) can produce images of surprising complexity and realism, but are generally modeled to sample from a single latent source ignoring the explicit spatial interaction between multiple entities that could be present in a scene. Capturing such complex interactions between different objects in the world, including their relative scaling, spatial layout, occlusion, or viewpoint transformation is a challenging problem. In this work, we propose to model object composition in a GAN framework as a self-consistent composition-decomposition network. Our model is conditioned on the object images from their marginal distributions to generate a realistic image from their joint distribution by explicitly learning the possible interactions. We evaluate our model through qualitative experiments and user evaluations in both the scenarios when either paired or unpaired examples for the individual object images and the joint scenes are given during training. Our results reveal that the learned model captures potential interactions between the two object domains given as input to output new instances of composed scene at test time in a reasonable fashion.

Image segmentation is considered to be one of the critical tasks in hyperspectral remote sensing image processing. Recently, convolutional neural network (CNN) has established itself as a powerful model in segmentation and classification by demonstrating excellent performances. The use of a graphical model such as a conditional random field (CRF) contributes further in capturing contextual information and thus improving the segmentation performance. In this paper, we propose a method to segment hyperspectral images by considering both spectral and spatial information via a combined framework consisting of CNN and CRF. We use multiple spectral cubes to learn deep features using CNN, and then formulate deep CRF with CNN-based unary and pairwise potential functions to effectively extract the semantic correlations between patches consisting of three-dimensional data cubes. Effective piecewise training is applied in order to avoid the computationally expensive iterative CRF inference. Furthermore, we introduce a deep deconvolution network that improves the segmentation masks. We also introduce a new dataset and experimented our proposed method on it along with several widely adopted benchmark datasets to evaluate the effectiveness of our method. By comparing our results with those from several state-of-the-art models, we show the promising potential of our method.

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