Physics-Coupled Spatio-Temporal Active Learning for Dynamical Systems

Spatio-temporal forecasting is of great importance in a wide range of dynamical systems applications from atmospheric science, to recent COVID-19 spread modeling. These applications rely on accurate predictions of spatio-temporal structured data reflecting real-world phenomena. A stunning characteristic is that the dynamical system is not only driven by some physics laws but also impacted by the localized factor in spatial and temporal regions. One of the major challenges is to infer the underlying causes, which generate the perceived data stream and propagate the involved causal dynamics through the distributed observing units. Another challenge is that the success of machine learning based predictive models requires massive annotated data for model training. However, the acquisition of high-quality annotated data is objectively manual and tedious as it needs a considerable amount of human intervention, making it infeasible in fields that require high levels of expertise. To tackle these challenges, we advocate a spatio-temporal physics-coupled neural networks (ST-PCNN) model to learn the underlying physics of the dynamical system and further couple the learned physics to assist the learning of the recurring dynamics. To deal with data-acquisition constraints, an active learning mechanism with Kriging for actively acquiring the most informative data is proposed for ST-PCNN training in a partially observable environment. Our experiments on both synthetic and real-world datasets exhibit that the proposed ST-PCNN with active learning converges to near optimal accuracy with substantially fewer instances.

Evolutionary Architecture Search for Graph Neural Networks

Automated machine learning (AutoML) has seen a resurgence in interest with the boom of deep learning over the past decade. In particular, Neural Architecture Search (NAS) has seen significant attention throughout the AutoML research community, and has pushed forward the state-of-the-art in a number of neural models to address grid-like data such as texts and images. However, very litter work has been done about Graph Neural Networks (GNN) learning on unstructured network data. Given the huge number of choices and combinations of components such as aggregator and activation function, determining the suitable GNN structure for a specific problem normally necessitates tremendous expert knowledge and laborious trails. In addition, the slight variation of hyper parameters such as learning rate and dropout rate could dramatically hurt the learning capacity of GNN. In this paper, we propose a novel AutoML framework through the evolution of individual models in a large GNN architecture space involving both neural structures and learning parameters. Instead of optimizing only the model structures with fixed parameter settings as existing work, an alternating evolution process is performed between GNN structures and learning parameters to dynamically find the best fit of each other. To the best of our knowledge, this is the first work to introduce and evaluate evolutionary architecture search for GNN models. Experiments and validations demonstrate that evolutionary NAS is capable of matching existing state-of-the-art reinforcement learning approaches for both the semi-supervised transductive and inductive node representation learning and classification.

Topology and Content Co-Alignment Graph Convolutional Learning

In traditional Graph Neural Networks (GNN), graph convolutional learning is carried out through topology-driven recursive node content aggregation for network representation learning. In reality, network topology and node content are not always consistent because of irrelevant or missing links between nodes. A pure topology-driven feature aggregation approach between unaligned neighborhoods deteriorates learning for nodes with poor structure-content consistency, and incorrect messages could propagate over the whole network as a result. In this paper, we advocate co-alignment graph convolutional learning (CoGL), by aligning the topology and content networks to maximize consistency. Our theme is to force the topology network to respect underlying content network while simultaneously optimizing the content network to respect the topology for optimized representation learning. Given a network, CoGL first reconstructs a content network from node features then co-aligns the content network and the original network though a unified optimization goal with (1) minimized content loss, (2) minimized classification loss, and (3) minimized adversarial loss. Experiments on six benchmarks demonstrate that CoGL significantly outperforms existing state-of-the-art GNN models.

Multi-Label Graph Convolutional Network Representation Learning

Knowledge representation of graph-based systems is fundamental across many disciplines. To date, most existing methods for representation learning primarily focus on networks with simplex labels, yet real-world objects (nodes) are inherently complex in nature and often contain rich semantics or labels, e.g., a user may belong to diverse interest groups of a social network, resulting in multi-label networks for many applications. The multi-label network nodes not only have multiple labels for each node, such labels are often highly correlated making existing methods ineffective or fail to handle such correlation for node representation learning. In this paper, we propose a novel multi-label graph convolutional network (ML-GCN) for learning node representation for multi-label networks. To fully explore label-label correlation and network topology structures, we propose to model a multi-label network as two Siamese GCNs: a node-node-label graph and a label-label-node graph. The two GCNs each handle one aspect of representation learning for nodes and labels, respectively, and they are seamlessly integrated under one objective function. The learned label representations can effectively preserve the inner-label interaction and node label properties, and are then aggregated to enhance the node representation learning under a unified training framework. Experiments and comparisons on multi-label node classification validate the effectiveness of our proposed approach.

Feature-Attention Graph Convolutional Networks for Noise Resilient Learning

Noise and inconsistency commonly exist in real-world information networks, due to inherent error-prone nature of human or user privacy concerns. To date, tremendous efforts have been made to advance feature learning from networks, including the most recent Graph Convolutional Networks (GCN) or attention GCN, by integrating node content and topology structures. However, all existing methods consider networks as error-free sources and treat feature content in each node as independent and equally important to model node relations. The erroneous node content, combined with sparse features, provide essential challenges for existing methods to be used on real-world noisy networks. In this paper, we propose FA-GCN, a feature-attention graph convolution learning framework, to handle networks with noisy and sparse node content. To tackle noise and sparse content in each node, FA-GCN first employs a long short-term memory (LSTM) network to learn dense representation for each feature. To model interactions between neighboring nodes, a feature-attention mechanism is introduced to allow neighboring nodes learn and vary feature importance, with respect to their connections. By using spectral-based graph convolution aggregation process, each node is allowed to concentrate more on the most determining neighborhood features aligned with the corresponding learning task. Experiments and validations, w.r.t. different noise levels, demonstrate that FA-GCN achieves better performance than state-of-the-art methods on both noise-free and noisy networks.