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Register a new userRethinking Graph Neural Architecture Search from Message-passing
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Added by
Shaofei Cai
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual enumeration to determine the proper message-passing depth. Inspired by the strong searching capability of neural architecture search (NAS) in CNN, this paper proposes Graph Neural Architecture Search (GNAS) with novel-designed search space. The GNAS can automatically learn better architecture with the optimal depth of message passing on the graph. Specifically, we design Graph Neural Architecture Paradigm (GAP) with tree-topology computation procedure and two types of fine-grained atomic operations (feature filtering and neighbor aggregation) from message-passing mechanism to construct powerful graph network search space. Feature filtering performs adaptive feature selection, and neighbor aggregation captures structural information and calculates neighbors statistics. Experiments show that our GNAS can search for better GNNs with multiple message-passing mechanisms and optimal message-passing depth. The searched network achieves remarkable improvement over state-of-the-art manual designed and search-based GNNs on five large-scale datasets at three classical graph tasks. Codes can be found at https://github.com/phython96/GNAS-MP.
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Graph neural networks (GNNs) have been successfully applied to learning representation on graphs in many relational tasks. Recently, researchers study neural architecture search (NAS) to reduce the dependence of human expertise and explore better GNN architectures, but they over-emphasize entity features and ignore latent relation information concealed in the edges. To solve this problem, we incorporate edge features into graph search space and propose Edge-featured Graph Neural Architecture Search to find the optimal GNN architecture. Specifically, we design rich entity and edge updating operations to learn high-order representations, which convey more generic message passing mechanisms. Moreover, the architecture topology in our search space allows to explore complex feature dependence of both entities and edges, which can be efficiently optimized by differentiable search strategy. Experiments at three graph tasks on six datasets show EGNAS can search better GNNs with higher performance than current state-of-the-art human-designed and searched-based GNNs.
Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during feature aggregation. Recent works have mainly focused on powerful message passing modules, however, in this paper, we show that none of the message passing modules is necessary. Instead, we propose a pure multilayer-perceptron-based framework, Graph-MLP with the supervision signal leveraging graph structure, which is sufficient for learning discriminative node representation. In model-level, Graph-MLP only includes multi-layer perceptrons, activation function, and layer normalization. In the loss level, we design a neighboring contrastive (NContrast) loss to bridge the gap between GNNs and MLPs by utilizing the adjacency information implicitly. This design allows our model to be lighter and more robust when facing large-scale graph data and corrupted adjacency information. Extensive experiments prove that even without adjacency information in testing phase, our framework can still reach comparable and even superior performance against the state-of-the-art models in the graph node classification task.
Learning through tests is a broadly used methodology in human learning and shows great effectiveness in improving learning outcome: a sequence of tests are made with increasing levels of difficulty; the learner takes these tests to identify his/her weak points in learning and continuously addresses these weak points to successfully pass these tests. We are interested in investigating whether this powerful learning technique can be borrowed from humans to improve the learning abilities of machines. We propose a novel learning approach called learning by passing tests (LPT). In our approach, a tester model creates increasingly more-difficult tests to evaluate a learner model. The learner tries to continuously improve its learning ability so that it can successfully pass however difficult tests created by the tester. We propose a multi-level optimization framework to formulate LPT, where the tester learns to create difficult and meaningful tests and the learner learns to pass these tests. We develop an efficient algorithm to solve the LPT problem. Our method is applied for neural architecture search and achieves significant improvement over state-of-the-art baselines on CIFAR-100, CIFAR-10, and ImageNet.
This study follows many classical approaches to multi-object tracking (MOT) that model the problem using dynamic graphical data structures, and adapts this formulation to make it amenable to modern neural networks. Our main contributions in this work are the creation of a framework based on dynamic undirected graphs that represent the data association problem over multiple timesteps, and a message passing graph neural network (MPNN) that operates on these graphs to produce the desired likelihood for every association therein. We also provide solutions and propositions for the computational problems that need to be addressed to create a memory-efficient, real-time, online algorithm that can reason over multiple timesteps, correct previous mistakes, update beliefs, and handle missed/false detections. To demonstrate the efficacy of our approach, we only use the 2D box location and object category ID to construct the descriptor for each object instance. Despite this, our model performs on par with state-of-the-art approaches that make use of additional sensors, as well as multiple hand-crafted and/or learned features. This illustrates that given the right problem formulation and model design, raw bounding boxes (and their kinematics) from any off-the-shelf detector are sufficient to achieve competitive tracking results on challenging MOT benchmarks.
Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN) for molecular representation learning, which have made remarkable achievements in molecular graph modeling. Albeit powerful, current models either are based on local aggregation operations and thus miss higher-order graph properties or focus on only node information without fully using the edge information. For this sake, we propose a Communicative Message Passing Transformer (CoMPT) neural network to improve the molecular graph representation by reinforcing message interactions between nodes and edges based on the Transformer architecture. Unlike the previous transformer-style GNNs that treat molecules as fully connected graphs, we introduce a message diffusion mechanism to leverage the graph connectivity inductive bias and reduce the message enrichment explosion. Extensive experiments demonstrated that the proposed model obtained superior performances (around 4$%$ on average) against state-of-the-art baselines on seven chemical property datasets (graph-level tasks) and two chemical shift datasets (node-level tasks). Further visualization studies also indicated a better representation capacity achieved by our model.
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