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A hypergraph is a generalization of a graph that arises naturally when attribute-sharing among entities is considered. Although a hypergraph can be converted into a graph by expanding its hyperedges into fully connected subgraphs, going the reverse way is computationally complex and NP-complete. We therefore hypothesize that a hypergraph contains more information than a graph. In addition, it is more convenient to manipulate a hypergraph directly, rather than expand it into a graph. An open problem in hypergraphs is how to accurately and efficiently calculate their node distances. Estimating node distances enables us to find a node's nearest neighbors, and perform label propagation on hypergraphs using a K-nearest neighbors (KNN) approach. In this paper, we propose a novel approach based on random walks to achieve label propagation on hypergraphs. We estimate node distances as the expected hitting times of random walks. We note that simple random walks (SRW) cannot accurately describe highly complex real-world hypergraphs, which motivates us to introduce frustrated random walks (FRW) to better describe them. We further benchmark our method against DeepWalk, and show that while the latter can achieve comparable results, FRW has a distinct computational advantage in cases where the number of targets is fairly small. For such cases, we show that FRW runs in significantly shorter time than DeepWalk. Finally, we analyze the time complexity of our method, and show that for large and sparse hypergraphs, the complexity is approximately linear, rendering it superior to the DeepWalk alternative.

Learning effective joint representations has been a central task in multimodal sentiment analysis. Previous methods focus on leveraging the correlations between different modalities and enhancing performance through sophisticated fusion techniques. However, challenges still exist due to the inherent heterogeneity of distinct modalities, which may lead to distributional gap, impeding the full exploitation of inter-modal information and resulting in redundancy and impurity in the information extracted from features. To address this problem, we introduce the Multimodal Information Disentanglement (MInD) approach. MInD decomposes the multimodal inputs into a modality-invariant component, a modality-specific component, and a remnant noise component for each modality through a shared encoder and multiple private encoders. The shared encoder aims to explore the shared information and commonality across modalities, while the private encoders are deployed to capture the distinctive information and characteristic features. These representations thus furnish a comprehensive perspective of the multimodal data, facilitating the fusion process instrumental for subsequent prediction tasks. Furthermore, MInD improves the learned representations by explicitly modeling the task-irrelevant noise in an adversarial manner. Experimental evaluations conducted on benchmark datasets, including CMU-MOSI, CMU-MOSEI, and UR-Funny, demonstrate MInD's superior performance over existing state-of-the-art methods in both multimodal emotion recognition and multimodal humor detection tasks.

Because of the probabilistic/nondeterministic behavior of quantum programs, it is highly advisable to verify them formally to ensure that they correctly implement their specifications. Formal verification, however, also traditionally requires significant effort. To address this challenge, we present Qafny, an automated proof system based on the program verifier Dafny and designed for verifying quantum programs. At its core, Qafny uses a type-guided quantum proof system that translates quantum operations to classical array operations modeled within a classical separation logic framework. We prove the soundness and completeness of our proof system and implement a prototype compiler that transforms Qafny programs and specifications into Dafny for automated verification purposes. We then illustrate the utility of Qafny's automated capabilities in efficiently verifying important quantum algorithms, including quantum-walk algorithms, Grover's algorithm, and Shor's algorithm.

Users often rely on GUIs to edit and interact with visualizations - a daunting task due to the large space of editing options. As a result, users are either overwhelmed by a complex UI or constrained by a custom UI with a tailored, fixed subset of options with limited editing flexibility. Natural Language Interfaces (NLIs) are emerging as a feasible alternative for users to specify edits. However, NLIs forgo the advantages of traditional GUI: the ability to explore and repeat edits and see instant visual feedback. We introduce DynaVis, which blends natural language and dynamically synthesized UI widgets. As the user describes an editing task in natural language, DynaVis performs the edit and synthesizes a persistent widget that the user can interact with to make further modifications. Study participants (n=24) preferred DynaVis over the NLI-only interface citing ease of further edits and editing confidence due to immediate visual feedback.

Machine unlearning aims to eliminate the influence of a subset of training samples (i.e., unlearning samples) from a trained model. Effectively and efficiently removing the unlearning samples without negatively impacting the overall model performance is still challenging. In this paper, we propose a contrastive unlearning framework, leveraging the concept of representation learning for more effective unlearning. It removes the influence of unlearning samples by contrasting their embeddings against the remaining samples so that they are pushed away from their original classes and pulled toward other classes. By directly optimizing the representation space, it effectively removes the influence of unlearning samples while maintaining the representations learned from the remaining samples. Experiments on a variety of datasets and models on both class unlearning and sample unlearning showed that contrastive unlearning achieves the best unlearning effects and efficiency with the lowest performance loss compared with the state-of-the-art algorithms.

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

Interpretability methods are developed to understand the working mechanisms of black-box models, which is crucial to their responsible deployment. Fulfilling this goal requires both that the explanations generated by these methods are correct and that people can easily and reliably understand them. While the former has been addressed in prior work, the latter is often overlooked, resulting in informal model understanding derived from a handful of local explanations. In this paper, we introduce explanation summary (ExSum), a mathematical framework for quantifying model understanding, and propose metrics for its quality assessment. On two domains, ExSum highlights various limitations in the current practice, helps develop accurate model understanding, and reveals easily overlooked properties of the model. We also connect understandability to other properties of explanations such as human alignment, robustness, and counterfactual minimality and plausibility.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.

Knowledge graphs are important resources for many artificial intelligence tasks but often suffer from incompleteness. In this work, we propose to use pre-trained language models for knowledge graph completion. We treat triples in knowledge graphs as textual sequences and propose a novel framework named Knowledge Graph Bidirectional Encoder Representations from Transformer (KG-BERT) to model these triples. Our method takes entity and relation descriptions of a triple as input and computes scoring function of the triple with the KG-BERT language model. Experimental results on multiple benchmark knowledge graphs show that our method can achieve state-of-the-art performance in triple classification, link prediction and relation prediction tasks.