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Meshfree simulation methods are emerging as compelling alternatives to conventional mesh-based approaches, particularly in the fields of Computational Fluid Dynamics (CFD) and continuum mechanics. In this publication, we provide a comprehensive overview of our research combining Machine Learning (ML) and Fraunhofer's MESHFREE software (www.meshfree.eu), a powerful tool utilizing a numerical point cloud in a Generalized Finite Difference Method (GFDM). This tool enables the effective handling of complex flow domains, moving geometries, and free surfaces, while allowing users to finely tune local refinement and quality parameters for an optimal balance between computation time and results accuracy. However, manually determining the optimal parameter combination poses challenges, especially for less experienced users. We introduce a novel ML-optimized approach, using active learning, regression trees, and visualization on MESHFREE simulation data, demonstrating the impact of input combinations on results quality and computation time. This research contributes valuable insights into parameter optimization in meshfree simulations, enhancing accessibility and usability for a broader user base in scientific and engineering applications.

Cross-modal retrieval (CMR) aims to establish interaction between different modalities, among which supervised CMR is emerging due to its flexibility in learning semantic category discrimination. Despite the remarkable performance of previous supervised CMR methods, much of their success can be attributed to the well-annotated data. However, even for unimodal data, precise annotation is expensive and time-consuming, and it becomes more challenging with the multimodal scenario. In practice, massive multimodal data are collected from the Internet with coarse annotation, which inevitably introduces noisy labels. Training with such misleading labels would bring two key challenges -- enforcing the multimodal samples to \emph{align incorrect semantics} and \emph{widen the heterogeneous gap}, resulting in poor retrieval performance. To tackle these challenges, this work proposes UOT-RCL, a Unified framework based on Optimal Transport (OT) for Robust Cross-modal Retrieval. First, we propose a semantic alignment based on partial OT to progressively correct the noisy labels, where a novel cross-modal consistent cost function is designed to blend different modalities and provide precise transport cost. Second, to narrow the discrepancy in multi-modal data, an OT-based relation alignment is proposed to infer the semantic-level cross-modal matching. Both of these two components leverage the inherent correlation among multi-modal data to facilitate effective cost function. The experiments on three widely-used cross-modal retrieval datasets demonstrate that our UOT-RCL surpasses the state-of-the-art approaches and significantly improves the robustness against noisy labels.

Fatigue data arise in many research and applied areas and there have been statistical methods developed to model and analyze such data. The distributions of fatigue life and fatigue strength are often of interest to engineers designing products that might fail due to fatigue from cyclic-stress loading. Based on a specified statistical model and the maximum likelihood method, the cumulative distribution function (cdf) and quantile function (qf) can be estimated for the fatigue-life and fatigue-strength distributions. Likelihood-based confidence bands then can be obtained for the cdf and qf. This paper provides equivalence results for confidence bands for fatigue-life and fatigue-strength models. These results are useful for data analysis and computing implementation. We show (a) the equivalence of the confidence bands for the fatigue-life cdf and the fatigue-life qf, (b) the equivalence of confidence bands for the fatigue-strength cdf and the fatigue-strength qf, and (c) the equivalence of confidence bands for the fatigue-life qf and the fatigue-strength qf. Then we illustrate the usefulness of those equivalence results with two examples using experimental fatigue data.

In this article we prove that the minimum-degree greedy algorithm, with adversarial tie-breaking, is a $(2/3)$-approximation for the Maximum Independent Set problem on interval graphs. We show that this is tight, even on unit interval graphs of maximum degree 3. We show that on chordal graphs, the greedy algorithm is a $(1/2)$-approximation and that this is again tight. These results contrast with the known (tight) approximation ratio of $\frac{3}{\Delta+2}$ of the greedy algorithm for general graphs of maximum degree $\Delta$.

Modern applications commonly need to manage dataset types composed of heterogeneous data and schemas, making it difficult to access them in an integrated way. A single data store to manage heterogeneous data using a common data model is not effective in such a scenario, which results in the domain data being fragmented in the data stores that best fit their storage and access requirements (e.g., NoSQL, relational DBMS, or HDFS). Besides, organization workflows independently consume these fragments, and usually, there is no explicit link among the fragments that would be useful to support an integrated view. The research challenge tackled by this work is to provide the means to query heterogeneous data residing on distinct data repositories that are not explicitly connected. We propose a federated database architecture by providing a single abstract global conceptual schema to users, allowing them to write their queries, encapsulating data heterogeneity, location, and linkage by employing: (i) meta-models to represent the global conceptual schema, the remote data local conceptual schemas, and mappings among them; (ii) provenance to create explicit links among the consumed and generated data residing in separate datasets. We evaluated the architecture through its implementation as a polystore service, following a microservice architecture approach, in a scenario that simulates a real case in Oil \& Gas industry. Also, we compared the proposed architecture to a relational multidatabase system based on foreign data wrappers, measuring the user's cognitive load to write a query (or query complexity) and the query processing time. The results demonstrated that the proposed architecture allows query writing two times less complex than the one written for the relational multidatabase system, adding an excess of no more than 30% in query processing time.

For training an encoder network to perform amortized variational inference, the Kullback-Leibler (KL) divergence from the exact posterior to its approximation, known as the inclusive or forward KL, is an increasingly popular choice of variational objective due to the mass-covering property of its minimizer. However, minimizing this objective is challenging. A popular existing approach, Reweighted Wake-Sleep (RWS), suffers from heavily biased gradients and a circular pathology that results in highly concentrated variational distributions. As an alternative, we propose SMC-Wake, a procedure for fitting an amortized variational approximation that uses likelihood-tempered sequential Monte Carlo samplers to estimate the gradient of the inclusive KL divergence. We propose three gradient estimators, all of which are asymptotically unbiased in the number of iterations and two of which are strongly consistent. Our method interleaves stochastic gradient updates, SMC samplers, and iterative improvement to an estimate of the normalizing constant to reduce bias from self-normalization. In experiments with both simulated and real datasets, SMC-Wake fits variational distributions that approximate the posterior more accurately than existing methods.

Large-scale password data breaches are becoming increasingly commonplace, which has enabled researchers to produce a substantial body of password security research utilising real-world password datasets, which often contain numbers of records in the tens or even hundreds of millions. While much study has been conducted on how password composition policies (sets of rules that a user must abide by when creating a password) influence the distribution of user-chosen passwords on a system, much less research has been done on inferring the password composition policy that a given set of user-chosen passwords was created under. In this paper, we state the problem with the naive approach to this challenge, and suggest a simple approach that produces more reliable results. We also present pol-infer, a tool that implements this approach, and demonstrates its use in inferring password composition policies.

Vessel trajectory clustering, which aims to find similar trajectory patterns, has been widely leveraged in overwater applications. Most traditional methods use predefined rules and thresholds to identify discrete vessel behaviors. They aim for high-quality clustering and conduct clustering on entire sequences, whether the original trajectory or its sub-trajectories, failing to represent their evolution. To resolve this problem, we propose a Predictive Clustering of Hierarchical Vessel Behavior (PC-HiV). PC-HiV first uses hierarchical representations to transform every trajectory into a behavioral sequence. Then, it predicts evolution at each timestamp of the sequence based on the representations. By applying predictive clustering and latent encoding, PC-HiV improves clustering and predictions simultaneously. Experiments on real AIS datasets demonstrate PC-HiV's superiority over existing methods, showcasing its effectiveness in capturing behavioral evolution discrepancies between vessel types (tramp vs. liner) and within emission control areas. Results show that our method outperforms NN-Kmeans and Robust DAA by 3.9% and 6.4% of the purity score.

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.