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Interface problems have long been a major focus of scientific computing, leading to the development of various numerical methods. Traditional mesh-based methods often employ time-consuming body-fitted meshes with standard discretization schemes or unfitted meshes with tailored schemes to achieve controllable accuracy and convergence rate. Along another line, mesh-free methods bypass mesh generation but lack robustness in terms of convergence and accuracy due to the low regularity of solutions. In this study, we propose a novel method for solving interface problems within the framework of the random feature method. This approach utilizes random feature functions in conjunction with a partition of unity as approximation functions. It evaluates partial differential equations, boundary conditions, and interface conditions on collocation points in equal footing, and solves a linear least-squares system to obtain the approximate solution. To address the issue of low regularity, two sets of random feature functions are used to approximate the solution on each side of the interface, which are then coupled together via interface conditions. We validate our method through a series of increasingly complex numerical examples. Our findings show that despite the solution often being only continuous or even discontinuous, our method not only eliminates the need for mesh generation but also maintains high accuracy, akin to the spectral collocation method for smooth solutions. Remarkably, for the same accuracy requirement, our method requires two to three orders of magnitude fewer degrees of freedom than traditional methods, demonstrating its significant potential for solving interface problems with complex geometries.

Neural networks are vulnerable to adversarial attacks: adding well-crafted, imperceptible perturbations to their input can modify their output. Adversarial training is one of the most effective approaches to training robust models against such attacks. Unfortunately, this method is much slower than vanilla training of neural networks since it needs to construct adversarial examples for the entire training data at every iteration. By leveraging the theory of coreset selection, we show how selecting a small subset of training data provides a principled approach to reducing the time complexity of robust training. To this end, we first provide convergence guarantees for adversarial coreset selection. In particular, we show that the convergence bound is directly related to how well our coresets can approximate the gradient computed over the entire training data. Motivated by our theoretical analysis, we propose using this gradient approximation error as our adversarial coreset selection objective to reduce the training set size effectively. Once built, we run adversarial training over this subset of the training data. Unlike existing methods, our approach can be adapted to a wide variety of training objectives, including TRADES, $\ell_p$-PGD, and Perceptual Adversarial Training. We conduct extensive experiments to demonstrate that our approach speeds up adversarial training by 2-3 times while experiencing a slight degradation in the clean and robust accuracy.

Multimedia recommendation has received much attention in recent years. It models user preferences based on both behavior information and item multimodal information. Though current GCN-based methods achieve notable success, they suffer from two limitations: (1) Modality noise contamination to the item representations. Existing methods often mix modality features and behavior features in a single view (e.g., user-item view) for propagation, the noise in the modality features may be amplified and coupled with behavior features. In the end, it leads to poor feature discriminability; (2) Incomplete user preference modeling caused by equal treatment of modality features. Users often exhibit distinct modality preferences when purchasing different items. Equally fusing each modality feature ignores the relative importance among different modalities, leading to the suboptimal user preference modeling. To tackle the above issues, we propose a novel Multi-View Graph Convolutional Network for the multimedia recommendation. Specifically, to avoid modality noise contamination, the modality features are first purified with the aid of item behavior information. Then, the purified modality features of items and behavior features are enriched in separate views, including the user-item view and the item-item view. In this way, the distinguishability of features is enhanced. Meanwhile, a behavior-aware fuser is designed to comprehensively model user preferences by adaptively learning the relative importance of different modality features. Furthermore, we equip the fuser with a self-supervised auxiliary task. This task is expected to maximize the mutual information between the fused multimodal features and behavior features, so as to capture complementary and supplementary preference information simultaneously. Extensive experiments on three public datasets demonstrate the effectiveness of our methods.

Hyperproperties extend trace properties to express properties of sets of traces, and they are increasingly popular in specifying various security and performance-related properties in domains such as cyber-physical systems, smart grids, and automotive. This paper introduces a model checking algorithm for a new formalism, HyperTWTL, which extends Time Window Temporal Logic (TWTL) -- a domain-specific formal specification language for robotics, by allowing explicit and simultaneous quantification over multiple execution traces. We present HyperTWTL with both \emph{synchronous} and \emph{asynchronous} semantics, based on the alignment of the timestamps in the traces. Consequently, we demonstrate the application of HyperTWTL in formalizing important information-flow security policies and concurrency for robotics applications. Finally, we propose a model checking algorithm for verifying fragments of HyperTWTL by reducing the problem to a TWTL model checking problem.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.