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Keyphrase extraction is a fundamental task in natural language processing and information retrieval that aims to extract a set of phrases with important information from a source document. Identifying important keyphrase is the central component of the keyphrase extraction task, and its main challenge is how to represent information comprehensively and discriminate importance accurately. In this paper, to address these issues, we design a new hyperbolic matching model (HyperMatch) to represent phrases and documents in the same hyperbolic space and explicitly estimate the phrase-document relevance via the Poincar\'e distance as the important score of each phrase. Specifically, to capture the hierarchical syntactic and semantic structure information, HyperMatch takes advantage of the hidden representations in multiple layers of RoBERTa and integrates them as the word embeddings via an adaptive mixing layer. Meanwhile, considering the hierarchical structure hidden in the document, HyperMatch embeds both phrases and documents in the same hyperbolic space via a hyperbolic phrase encoder and a hyperbolic document encoder. This strategy can further enhance the estimation of phrase-document relevance due to the good properties of hyperbolic space. In this setting, the keyphrase extraction can be taken as a matching problem and effectively implemented by minimizing a hyperbolic margin-based triplet loss. Extensive experiments are conducted on six benchmarks and demonstrate that HyperMatch outperforms the state-of-the-art baselines.

Relational inference aims to identify interactions between parts of a dynamical system from the observed dynamics. Current state-of-the-art methods fit the dynamics with a graph neural network (GNN) on a learnable graph. They use one-step message-passing GNNs -- intuitively the right choice since non-locality of multi-step or spectral GNNs may confuse direct and indirect interactions. But the \textit{effective} interaction graph depends on the sampling rate and it is rarely localized to direct neighbors, leading to poor local optima for the one-step model. In this work, we propose a \textit{graph dynamics prior} (GDP) for relational inference. GDP constructively uses error amplification in non-local polynomial filters to steer the solution to the ground-truth graph. To deal with non-uniqueness, GDP simultaneously fits a ``shallow'' one-step model and a polynomial multi-step model with shared graph topology. Experiments show that GDP reconstructs graphs far more accurately than earlier methods, with remarkable robustness to under-sampling. Since appropriate sampling rates for unknown dynamical systems are not known a priori, this robustness makes GDP suitable for real applications in scientific machine learning. Reproducible code is available at //github.com/DaDaCheng/GDP.

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.

Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.

Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.

Transformer is a type of deep neural network mainly based on self-attention mechanism which is originally applied in natural language processing field. Inspired by the strong representation ability of transformer, researchers propose to extend transformer for computer vision tasks. Transformer-based models show competitive and even better performance on various visual benchmarks compared to other network types such as convolutional networks and recurrent networks. In this paper we provide a literature review of these visual transformer models by categorizing them in different tasks and analyze the advantages and disadvantages of these methods. In particular, the main categories include the basic image classification, high-level vision, low-level vision and video processing. Self-attention in computer vision is also briefly revisited as self-attention is the base component in transformer. Efficient transformer methods are included for pushing transformer into real applications. Finally, we give a discussion about the further research directions for visual transformer.

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.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Edge intelligence refers to a set of connected systems and devices for data collection, caching, processing, and analysis in locations close to where data is captured based on artificial intelligence. The aim of edge intelligence is to enhance the quality and speed of data processing and protect the privacy and security of the data. Although recently emerged, spanning the period from 2011 to now, this field of research has shown explosive growth over the past five years. In this paper, we present a thorough and comprehensive survey on the literature surrounding edge intelligence. We first identify four fundamental components of edge intelligence, namely edge caching, edge training, edge inference, and edge offloading, based on theoretical and practical results pertaining to proposed and deployed systems. We then aim for a systematic classification of the state of the solutions by examining research results and observations for each of the four components and present a taxonomy that includes practical problems, adopted techniques, and application goals. For each category, we elaborate, compare and analyse the literature from the perspectives of adopted techniques, objectives, performance, advantages and drawbacks, etc. This survey article provides a comprehensive introduction to edge intelligence and its application areas. In addition, we summarise the development of the emerging research field and the current state-of-the-art and discuss the important open issues and possible theoretical and technical solutions.

Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. While many different methods have been proposed, there is a lack of a unifying framework that would lead to state-of-the-art results. Here we develop PathCon, a knowledge graph completion method that harnesses four novel insights to outperform existing methods. PathCon predicts relations between a pair of entities by: (1) Considering the Relational Context of each entity by capturing the relation types adjacent to the entity and modeled through a novel edge-based message passing scheme; (2) Considering the Relational Paths capturing all paths between the two entities; And, (3) adaptively integrating the Relational Context and Relational Path through a learnable attention mechanism. Importantly, (4) in contrast to conventional node-based representations, PathCon represents context and path only using the relation types, which makes it applicable in an inductive setting. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. Finally, PathCon is able to provide interpretable explanations by identifying relations that provide the context and paths that are important for a given predicted relation.