We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The problem is of much significance for dealing with features incrementally collected from different fields. To this end, we propose a new learning paradigm with graph representation and learning. Our framework contains two modules: 1) a backbone network (e.g., feedforward neural nets) as a lower model takes features as input and outputs predicted labels; 2) a graph neural network as an upper model learns to extrapolate embeddings for new features via message passing over a feature-data graph built from observed data. Based on our framework, we design two training strategies, a self-supervised approach and an inductive learning approach, to endow the model with extrapolation ability and alleviate feature-level over-fitting. We also provide theoretical analysis on the generalization error on test data with new features, which dissects the impact of training features and algorithms on generalization performance. Our experiments over several classification datasets and large-scale advertisement click prediction datasets demonstrate that our model can produce effective embeddings for unseen features and significantly outperforms baseline methods that adopt KNN and local aggregation.
Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real applications, however, the distribution of training graph might be different from that of the test one (e.g., users' interactions on the user-item training graph and their actual preference on items, i.e., testing environment, are known to have inconsistencies in recommender systems). Moreover, the distribution of test data is always agnostic when GNNs are trained. Hence, we are facing the agnostic distribution shift between training and testing on graph learning, which would lead to unstable inference of traditional GNNs across different test environments. To address this problem, we propose a novel stable prediction framework for GNNs, which permits both locally and globally stable learning and prediction on graphs. In particular, since each node is partially represented by its neighbors in GNNs, we propose to capture the stable properties for each node (locally stable) by re-weighting the information propagation/aggregation processes. For global stability, we propose a stable regularizer that reduces the training losses on heterogeneous environments and thus warping the GNNs to generalize well. We conduct extensive experiments on several graph benchmarks and a noisy industrial recommendation dataset that is collected from 5 consecutive days during a product promotion festival. The results demonstrate that our method outperforms various SOTA GNNs for stable prediction on graphs with agnostic distribution shift, including shift caused by node labels and attributes.
Molecular property prediction is one of the fastest-growing applications of deep learning with critical real-world impacts. Including 3D molecular structure as input to learned models improves their performance for many molecular tasks. However, this information is infeasible to compute at the scale required by several real-world applications. We propose pre-training a model to reason about the geometry of molecules given only their 2D molecular graphs. Using methods from self-supervised learning, we maximize the mutual information between 3D summary vectors and the representations of a Graph Neural Network (GNN) such that they contain latent 3D information. During fine-tuning on molecules with unknown geometry, the GNN still generates implicit 3D information and can use it to improve downstream tasks. We show that 3D pre-training provides significant improvements for a wide range of properties, such as a 22% average MAE reduction on eight quantum mechanical properties. Moreover, the learned representations can be effectively transferred between datasets in different molecular spaces.
In this paper, we introduce a graph representation learning architecture for spatial image steganalysis, which is motivated by the assumption that steganographic modifications unavoidably distort the statistical characteristics of the hidden graph features derived from cover images. In the detailed architecture, we translate each image to a graph, where nodes represent the patches of the image and edges indicate the local relationships between the patches. Each node is associated with a feature vector determined from the corresponding patch by a shallow convolutional neural network (CNN) structure. By feeding the graph to an attention network, the discriminative features can be learned for efficient steganalysis. Experiments indicate that the reported architecture achieves a competitive performance compared to the benchmark CNN model, which has shown the potential of graph learning for steganalysis.
The application of light field data in salient object de-tection is becoming increasingly popular recently. The diffi-culty lies in how to effectively fuse the features within the fo-cal stack and how to cooperate them with the feature of theall-focus image. Previous methods usually fuse focal stackfeatures via convolution or ConvLSTM, which are both lesseffective and ill-posed. In this paper, we model the infor-mation fusion within focal stack via graph networks. Theyintroduce powerful context propagation from neighbouringnodes and also avoid ill-posed implementations. On the onehand, we construct local graph connections thus avoidingprohibitive computational costs of traditional graph net-works. On the other hand, instead of processing the twokinds of data separately, we build a novel dual graph modelto guide the focal stack fusion process using all-focus pat-terns. To handle the second difficulty, previous methods usu-ally implement one-shot fusion for focal stack and all-focusfeatures, hence lacking a thorough exploration of their sup-plements. We introduce a reciprocative guidance schemeand enable mutual guidance between these two kinds of in-formation at multiple steps. As such, both kinds of featurescan be enhanced iteratively, finally benefiting the saliencyprediction. Extensive experimental results show that theproposed models are all beneficial and we achieve signif-icantly better results than state-of-the-art methods.
In this paper, we propose a novel model named DemiNet (short for DEpendency-Aware Multi-Interest Network) to address the above two issues. To be specific, we first consider various dependency types between item nodes and perform dependency-aware heterogeneous attention for denoising and obtaining accurate sequence item representations. Secondly, for multiple interests extraction, multi-head attention is conducted on top of the graph embedding. To filter out noisy inter-item correlations and enhance the robustness of extracted interests, self-supervised interest learning is introduced to the above two steps. Thirdly, to aggregate the multiple interests, interest experts corresponding to different interest routes give rating scores respectively, while a specialized network assigns the confidence of each score. Experimental results on three real-world datasets demonstrate that the proposed DemiNet significantly improves the overall recommendation performance over several state-of-the-art baselines. Further studies verify the efficacy and interpretability benefits brought by the fine-grained user interest modeling.
The crime forecasting is an important problem as it greatly contributes to urban safety. Typically, the goal of the problem is to predict different types of crimes for each geographical region (like a neighborhood or censor tract) in the near future. Since nearby regions usually have similar socioeconomic characteristics which indicate similar crime patterns, recent state-of-the-art solutions constructed a distance-based region graph and utilized Graph Neural Network (GNN) techniques for crime forecasting, because the GNN techniques could effectively exploit the latent relationships between neighboring region nodes in the graph. However, this distance-based pre-defined graph cannot fully capture crime correlation between regions that are far from each other but share similar crime patterns. Hence, to make an accurate crime prediction, the main challenge is to learn a better graph that reveals the dependencies between regions in crime occurrences and meanwhile captures the temporal patterns from historical crime records. To address these challenges, we propose an end-to-end graph convolutional recurrent network called HAGEN with several novel designs for crime prediction. Specifically, our framework could jointly capture the crime correlation between regions and the temporal crime dynamics by combining an adaptive region graph learning module with the Diffusion Convolution Gated Recurrent Unit (DCGRU). Based on the homophily assumption of GNN, we propose a homophily-aware constraint to regularize the optimization of the region graph so that neighboring region nodes on the learned graph share similar crime patterns, thus fitting the mechanism of diffusion convolution. It also incorporates crime embedding to model the interdependencies between regions and crime categories. Empirical experiments and comprehensive analysis on two real-world datasets showcase the effectiveness of HAGEN.
Click-through rate prediction plays an important role in the field of recommender system and many other applications. Existing methods mainly extract user interests from user historical behaviors. However, behavioral sequences only contain users' directly interacted items, which are limited by the system's exposure, thus they are often not rich enough to reflect all the potential interests. In this paper, we propose a novel method, named Dynamic Sequential Graph Learning (DSGL), to enhance users or items' representations by utilizing collaborative information from the local sub-graphs associated with users or items. Specifically, we design the Dynamic Sequential Graph (DSG), i.e., a lightweight ego subgraph with timestamps induced from historical interactions. At every scoring moment, we construct DSGs for the target user and the candidate item respectively. Based on the DSGs, we perform graph convolutional operations iteratively in a bottom-up manner to obtain the final representations of the target user and the candidate item. As for the graph convolution, we design a Time-aware Sequential Encoding Layer that leverages the interaction time information as well as temporal dependencies to learn evolutionary user and item dynamics. Besides, we propose a Target-Preference Dual Attention Layer, composed of a preference-aware attention module and a target-aware attention module, to automatically search for parts of behaviors that are relevant to the target and alleviate the noise from unreliable neighbors. Results on real-world CTR prediction benchmarks demonstrate the improvements brought by DSGL.
Social recommendation based on social network has achieved great success in improving the performance of recommendation system. Since social network (user-user relations) and user-item interactions are both naturally represented as graph-structured data, Graph Neural Networks (GNNs) have thus been widely applied for social recommendation. In this work, we propose an end-to-end heterogeneous global graph learning framework, namely Graph Learning Augmented Heterogeneous Graph Neural Network (GL-HGNN) for social recommendation. GL-HGNN aims to learn a heterogeneous global graph that makes full use of user-user relations, user-item interactions and item-item similarities in a unified perspective. To this end, we design a Graph Learner (GL) method to learn and optimize user-user and item-item connections separately. Moreover, we employ a Heterogeneous Graph Neural Network (HGNN) to capture the high-order complex semantic relations from our learned heterogeneous global graph. To scale up the computation of graph learning, we further present the Anchor-based Graph Learner (AGL) to reduce computational complexity. Extensive experiments on four real-world datasets demonstrate the effectiveness of our model.
Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs are among the most popular and widely used data representations related to the Semantic Web. Next to structuring factual knowledge in a machine-readable format, knowledge graphs serve as the backbone of many artificial intelligence applications and allow the ingestion of context information into various learning algorithms. Graph neural networks attempt to encode graph structures in low-dimensional vector spaces via a message passing heuristic between neighboring nodes. Over the recent years, a multitude of different graph neural network architectures demonstrated ground-breaking performances in many learning tasks. In this work, we propose a strategy to map deep graph learning architectures for knowledge graph reasoning to neuromorphic architectures. Based on the insight that randomly initialized and untrained (i.e., frozen) graph neural networks are able to preserve local graph structures, we compose a frozen neural network with shallow knowledge graph embedding models. We experimentally show that already on conventional computing hardware, this leads to a significant speedup and memory reduction while maintaining a competitive performance level. Moreover, we extend the frozen architecture to spiking neural networks, introducing a novel, event-based and highly sparse knowledge graph embedding algorithm that is suitable for implementation in neuromorphic hardware.
Understanding linguistic modality is widely seen as important for downstream tasks such as Question Answering and Knowledge Graph Population. Entailment Graph learning might also be expected to benefit from attention to modality. We build Entailment Graphs using a news corpus filtered with a modality parser, and show that stripping modal modifiers from predicates in fact increases performance. This suggests that for some tasks, the pragmatics of modal modification of predicates allows them to contribute as evidence of entailment.
This paper presents a convex-analytic framework to learn sparse graphs from data. While our problem formulation is inspired by an extension of the graphical lasso using the so-called combinatorial graph Laplacian framework, a key difference is the use of a nonconvex alternative to the $\ell_1$ norm to attain graphs with better interpretability. Specifically, we use the weakly-convex minimax concave penalty (the difference between the $\ell_1$ norm and the Huber function) which is known to yield sparse solutions with lower estimation bias than $\ell_1$ for regression problems. In our framework, the graph Laplacian is replaced in the optimization by a linear transform of the vector corresponding to its upper triangular part. Via a reformulation relying on Moreau's decomposition, we show that overall convexity is guaranteed by introducing a quadratic function to our cost function. The problem can be solved efficiently by the primal-dual splitting method, of which the admissible conditions for provable convergence are presented. Numerical examples show that the proposed method significantly outperforms the existing graph learning methods with reasonable CPU time.
Future manufacturing requires complex systems that connect simulation platforms and virtualization with physical data from industrial processes. Digital twins incorporate a physical twin, a digital twin, and the connection between the two. Benefits of using digital twins, especially in manufacturing, are abundant as they can increase efficiency across an entire manufacturing life-cycle. The digital twin concept has become increasingly sophisticated and capable over time, enabled by rises in many technologies. In this paper, we detail the cognitive digital twin as the next stage of advancement of a digital twin that will help realize the vision of Industry 4.0. Cognitive digital twins will allow enterprises to creatively, effectively, and efficiently exploit implicit knowledge drawn from the experience of existing manufacturing systems. They also enable more autonomous decisions and control, while improving the performance across the enterprise (at scale). This paper presents graph learning as one potential pathway towards enabling cognitive functionalities in manufacturing digital twins. A novel approach to realize cognitive digital twins in the product design stage of manufacturing that utilizes graph learning is presented.
In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new convolutional and/or pooling layers that better extract the hidden and deeper representations of the graphs to be used for different prediction tasks. The inputs to these layers are mainly the three default descriptors of a graph, node features $(X)$, adjacency matrix $(A)$, and edge features $(W)$ (if available). To provide a more enriched input to the network, we propose a random walk data processing of the graphs based on three selected lengths. Namely, (regular) walks of length 1 and 2, and a fractional walk of length $\gamma \in (0,1)$, in order to capture the different local and global dynamics on the graphs. We also calculate the stationary distribution of each random walk, which is then used as a scaling factor for the initial node features ($X$). This way, for each graph, the network receives multiple adjacency matrices along with their individual weighting for the node features. We test our method on various molecular datasets by passing the processed node features to the network in order to perform several classification and regression tasks. Interestingly, our method, not using edge features which are heavily exploited in molecular graph learning, let a shallow network outperform well known deep GNNs.
Non-local self-similarity in natural images has been verified to be an effective prior for image restoration. However, most existing deep non-local methods assign a fixed number of neighbors for each query item, neglecting the dynamics of non-local correlations. Moreover, the non-local correlations are usually based on pixels, prone to be biased due to image degradation. To rectify these weaknesses, in this paper, we propose a dynamic attentive graph learning model (DAGL) to explore the dynamic non-local property on patch level for image restoration. Specifically, we propose an improved graph model to perform patch-wise graph convolution with a dynamic and adaptive number of neighbors for each node. In this way, image content can adaptively balance over-smooth and over-sharp artifacts through the number of its connected neighbors, and the patch-wise non-local correlations can enhance the message passing process. Experimental results on various image restoration tasks: synthetic image denoising, real image denoising, image demosaicing, and compression artifact reduction show that our DAGL can produce state-of-the-art results with superior accuracy and visual quality. The source code is available at https://github.com/jianzhangcs/DAGL.
We study a recent class of models which uses graph neural networks (GNNs) to improve forecasting in multivariate time series. The core assumption behind these models is that there is a latent graph between the time series (nodes) that governs the evolution of the multivariate time series. By parameterizing a graph in a differentiable way, the models aim to improve forecasting quality. We compare four recent models of this class on the forecasting task. Further, we perform ablations to study their behavior under changing conditions, e.g., when disabling the graph-learning modules and providing the ground-truth relations instead. Based on our findings, we propose novel ways of combining the existing architectures.
Graphs are powerful representations for relations among objects, which have attracted plenty of attention. A fundamental challenge for graph learning is how to train an effective Graph Neural Network (GNN) encoder without labels, which are expensive and time consuming to obtain. Contrastive Learning (CL) is one of the most popular paradigms to address this challenge, which trains GNNs by discriminating positive and negative node pairs. Despite the success of recent CL methods, there are still two under-explored problems. First, how to reduce the semantic error introduced by random topology based data augmentations. Traditional CL defines positive and negative node pairs via the node-level topological proximity, which is solely based on the graph topology regardless of the semantic information of node attributes, and thus some semantically similar nodes could be wrongly treated as negative pairs. Second, how to effectively model the multiplexity of the real-world graphs, where nodes are connected by various relations and each relation could form a homogeneous graph layer. To solve these problems, we propose a novel multiplex heterogeneous graph prototypical contrastive leaning (X-GOAL) framework to extract node embeddings. X-GOAL is comprised of two components: the GOAL framework, which learns node embeddings for each homogeneous graph layer, and an alignment regularization, which jointly models different layers by aligning layer-specific node embeddings. Specifically, the GOAL framework captures the node-level information by a succinct graph transformation technique, and captures the cluster-level information by pulling nodes within the same semantic cluster closer in the embedding space. The alignment regularization aligns embeddings across layers at both node and cluster levels. We evaluate X-GOAL on various real-world datasets and downstream tasks to demonstrate its effectiveness.
In this manuscript, we introduce a semi-automatic scene graph annotation tool for images, the GeneAnnotator. This software allows human annotators to describe the existing relationships between participators in the visual scene in the form of directed graphs, hence enabling the learning and reasoning on visual relationships, e.g., image captioning, VQA and scene graph generation, etc. The annotations for certain image datasets could either be merged in a single VG150 data-format file to support most existing models for scene graph learning or transformed into a separated annotation file for each single image to build customized datasets. Moreover, GeneAnnotator provides a rule-based relationship recommending algorithm to reduce the heavy annotation workload. With GeneAnnotator, we propose Traffic Genome, a comprehensive scene graph dataset with 1000 diverse traffic images, which in return validates the effectiveness of the proposed software for scene graph annotation. The project source code, with usage examples and sample data is available at https://github.com/Milomilo0320/A-Semi-automatic-Annotation-Software-for-Scene-Graph, under the Apache open-source license.
Recently, road scene-graph representations used in conjunction with graph learning techniques have been shown to outperform state-of-the-art deep learning techniques in tasks including action classification, risk assessment, and collision prediction. To enable the exploration of applications of road scene-graph representations, we introduce roadscene2vec: an open-source tool for extracting and embedding road scene-graphs. The goal of roadscene2vec is to enable research into the applications and capabilities of road scene-graphs by providing tools for generating scene-graphs, graph learning models to generate spatio-temporal scene-graph embeddings, and tools for visualizing and analyzing scene-graph-based methodologies. The capabilities of roadscene2vec include (i) customized scene-graph generation from either video clips or data from the CARLA simulator, (ii) multiple configurable spatio-temporal graph embedding models and baseline CNN-based models, (iii) built-in functionality for using graph and sequence embeddings for risk assessment and collision prediction applications, (iv) tools for evaluating transfer learning, and (v) utilities for visualizing scene-graphs and analyzing the explainability of graph learning models. We demonstrate the utility of roadscene2vec for these use cases with experimental results and qualitative evaluations for both graph learning models and CNN-based models. roadscene2vec is available at https://github.com/AICPS/roadscene2vec.
In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually rely on heuristically generated graph patterns, which may introduce unreliable relationships to hurt the matching performance. In this paper, we propose a joint \emph{graph learning and matching} network, named GLAM, to explore reliable graph structures for boosting graph matching. GLAM adopts a pure attention-based framework for both graph learning and graph matching. Specifically, it employs two types of attention mechanisms, self-attention and cross-attention for the task. The self-attention discovers the relationships between features and to further update feature representations over the learnt structures; and the cross-attention computes cross-graph correlations between the two feature sets to be matched for feature reconstruction. Moreover, the final matching solution is directly derived from the output of the cross-attention layer, without employing a specific matching decision module. The proposed method is evaluated on three popular visual matching benchmarks (Pascal VOC, Willow Object and SPair-71k), and it outperforms previous state-of-the-art graph matching methods by significant margins on all benchmarks. Furthermore, the graph patterns learnt by our model are validated to be able to remarkably enhance previous deep graph matching methods by replacing their handcrafted graph structures with the learnt ones.