Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically focuses on static rather than dynamic graphs, which are actually very important in the applications such as protein folding, molecule reactions, and human mobility. Extending existing deep generative models from static to dynamic graphs is a challenging task, which requires to handle the factorization of static and dynamic characteristics as well as mutual interactions among node and edge patterns. Here, this paper proposes a novel framework of factorized deep generative models to achieve interpretable dynamic graph generation. Various generative models are proposed to characterize conditional independence among node, edge, static, and dynamic factors. Then, variational optimization strategies as well as dynamic graph decoders are proposed based on newly designed factorized variational autoencoders and recurrent graph deconvolutions. Extensive experiments on multiple datasets demonstrate the effectiveness of the proposed models.
Graph Neural Networks (GNNs) and Variational Autoencoders (VAEs) have been widely used in modeling and generating graphs with latent factors. However, there is no clear explanation of what these latent factors are and why they perform well. In this work, we present Dirichlet Graph Variational Autoencoder (DGVAE) with graph cluster memberships as latent factors. Our study connects VAEs based graph generation and balanced graph cut, and provides a new way to understand and improve the internal mechanism of VAEs based graph generation. Specifically, we first interpret the reconstruction term of DGVAE as balanced graph cut in a principled way. Furthermore, motivated by the low pass characteristics in balanced graph cut, we propose a new variant of GNN named Heatts to encode the input graph into cluster memberships. Heatts utilizes the Taylor series for fast computation of heat kernels and has better low pass characteristics than Graph Convolutional Networks (GCN). Through experiments on graph generation and graph clustering, we demonstrate the effectiveness of our proposed framework.
We introduce dense relational captioning, a novel image captioning task which aims to generate multiple captions with respect to relational information between objects in a visual scene. Relational captioning provides explicit descriptions for each relationship between object combinations. This framework is advantageous in both diversity and amount of information, leading to a comprehensive image understanding based on relationships, e.g., relational proposal generation. For relational understanding between objects, the part-of-speech (POS; i.e., subject-object-predicate categories) can be a valuable prior information to guide the causal sequence of words in a caption. We enforce our framework to learn not only to generate captions but also to understand the POS of each word. To this end, we propose the multi-task triple-stream network (MTTSNet) which consists of three recurrent units responsible for each POS which is trained by jointly predicting the correct captions and POS for each word. In addition, we found that the performance of MTTSNet can be improved by modulating the object embeddings with an explicit relational module. We demonstrate that our proposed model can generate more diverse and richer captions, via extensive experimental analysis on large scale datasets and several metrics. Then, we present applications of our framework to holistic image captioning, scene graph generation, and retrieval tasks.
Structured representations like graphs and parse trees play a crucial role in many Natural Language Processing systems. In recent years, the advancements in multi-turn user interfaces necessitate the need for controlling and updating these structured representations given new sources of information. Although there have been many efforts focusing on improving the performance of the parsers that map text to graphs or parse trees, very few have explored the problem of directly manipulating these representations. In this paper, we explore the novel problem of graph modification, where the systems need to learn how to update an existing scene graph given a new user's command. Our novel models based on graph-based sparse transformer and cross attention information fusion outperform previous systems adapted from the machine translation and graph generation literature. We further contribute our large graph modification datasets to the research community to encourage future research for this new problem.
Many top-performing image captioning models rely solely on object features computed with an object detection model to generate image descriptions. However, recent studies propose to directly use scene graphs to introduce information about object relations into captioning, hoping to better describe interactions between objects. In this work, we thoroughly investigate the use of scene graphs in image captioning. We empirically study whether using additional scene graph encoders can lead to better image descriptions and propose a conditional graph attention network (C-GAT), where the image captioning decoder state is used to condition the graph updates. Finally, we determine to what extent noise in the predicted scene graphs influence caption quality. Overall, we find no significant difference between models that use scene graph features and models that only use object detection features across different captioning metrics, which suggests that existing scene graph generation models are still too noisy to be useful in image captioning. Moreover, although the quality of predicted scene graphs is very low in general, when using high quality scene graphs we obtain gains of up to 3.3 CIDEr compared to a strong Bottom-Up Top-Down baseline. We open source code to reproduce all our experiments in https://github.com/iacercalixto/butd-image-captioning.
Several works based on Generative Adversarial Networks (GAN) have been recently proposed to predict a set of medical images from a single modality (e.g, FLAIR MRI from T1 MRI). However, such frameworks are primarily designed to operate on images, limiting their generalizability to non-Euclidean geometric data such as brain graphs. While a growing number of connectomic studies has demonstrated the promise of including brain graphs for diagnosing neurological disorders, no geometric deep learning work was designed for multiple target brain graphs prediction from a source brain graph. Despite the momentum the field of graph generation has gained in the last two years, existing works have two critical drawbacks. First, the bulk of such works aims to learn one model for each target domain to generate from a source domain. Thus, they have a limited scalability in jointly predicting multiple target domains. Second, they merely consider the global topological scale of a graph (i.e., graph connectivity structure) and overlook the local topology at the node scale of a graph (e.g., how central a node is in the graph). To meet these challenges, we introduce MultiGraphGAN architecture, which not only predicts multiple brain graphs from a single brain graph but also preserves the topological structure of each target graph to predict. Its three core contributions lie in: (i) designing a graph adversarial auto-encoder for jointly predicting brain graphs from a single one, (ii) handling the mode collapse problem of GAN by clustering the encoded source graphs and proposing a cluster-specific decoder, (iii) introducing a topological loss to force the reconstruction of topologically sound target brain graphs. Our MultiGraphGAN significantly outperformed its variants thereby showing its great potential in multi-view brain graph generation from a single graph.
Scene graphs are semantic abstraction of images that encourage visual understanding and reasoning. However, the performance of Scene Graph Generation (SGG) is unsatisfactory when faced with biased data in real-world scenarios. Conventional debiasing research mainly studies from the view of balancing data distribution or learning unbiased models and representations, ignoring the correlations among the biased classes. In this work, we analyze this problem from a novel cognition perspective: automatically building a hierarchical cognitive structure from the biased predictions and navigating that hierarchy to locate the relationships, making the tail relationships receive more attention in a coarse-to-fine mode. To this end, we propose a novel debiasing Cognition Tree (CogTree) loss for unbiased SGG. We first build a cognitive structure CogTree to organize the relationships based on the prediction of a biased SGG model. The CogTree distinguishes remarkably different relationships at first and then focuses on a small portion of easily confused ones. Then, we propose a debiasing loss specially for this cognitive structure, which supports coarse-to-fine distinction for the correct relationships. The loss is model-agnostic and consistently boosting the performance of several state-of-the-art models. The code is available at: https://github.com/CYVincent/Scene-Graph-Transformer-CogTree.
By assigning each relationship a single label, current approaches formulate the relationship detection as a classification problem. Under this formulation, predicate categories are treated as completely different classes. However, different from the object labels where different classes have explicit boundaries, predicates usually have overlaps in their semantic meanings. For example, sit\_on and stand\_on have common meanings in vertical relationships but different details of how these two objects are vertically placed. In order to leverage the inherent structures of the predicate categories, we propose to first build the language hierarchy and then utilize the Hierarchy Guided Feature Learning (HGFL) strategy to learn better region features of both the coarse-grained level and the fine-grained level. Besides, we also propose the Hierarchy Guided Module (HGM) to utilize the coarse-grained level to guide the learning of fine-grained level features. Experiments show that the proposed simple yet effective method can improve several state-of-the-art baselines by a large margin (up to $33\%$ relative gain) in terms of Recall@50 on the task of Scene Graph Generation in different datasets.
Today, scene graph generation(SGG) task is largely limited in realistic scenarios, mainly due to the extremely long-tailed bias of predicate annotation distribution. Thus, tackling the class imbalance trouble of SGG is critical and challenging. In this paper, we first discover that when predicate labels have strong correlation with each other, prevalent re-balancing strategies(e.g., re-sampling and re-weighting) will give rise to either over-fitting the tail data(e.g., bench sitting on sidewalk rather than on), or still suffering the adverse effect from the original uneven distribution(e.g., aggregating varied parked on/standing on/sitting on into on). We argue the principal reason is that re-balancing strategies are sensitive to the frequencies of predicates yet blind to their relatedness, which may play a more important role to promote the learning of predicate features. Therefore, we propose a novel Predicate-Correlation Perception Learning(PCPL for short) scheme to adaptively seek out appropriate loss weights by directly perceiving and utilizing the correlation among predicate classes. Moreover, our PCPL framework is further equipped with a graph encoder module to better extract context features. Extensive experiments on the benchmark VG150 dataset show that the proposed PCPL performs markedly better on tail classes while well-preserving the performance on head ones, which significantly outperforms previous state-of-the-art methods.
Predicting a scene graph that captures visual entities and their interactions in an image has been considered a crucial step towards full scene comprehension. Recent scene graph generation (SGG) models have shown their capability of capturing the most frequent relations among visual entities. However, the state-of-the-art results are still far from satisfactory, e.g. models can obtain 31% in overall recall R@100, whereas the likewise important mean class-wise recall mR@100 is only around 8% on Visual Genome (VG). The discrepancy between R and mR results urges to shift the focus from pursuing a high R to a high mR with a still competitive R. We suspect that the observed discrepancy stems from both the annotation bias and sparse annotations in VG, in which many visual entity pairs are either not annotated at all or only with a single relation when multiple ones could be valid. To address this particular issue, we propose a novel SGG training scheme that capitalizes on self-learned knowledge. It involves two relation classifiers, one offering a less biased setting for the other to base on. The proposed scheme can be applied to most of the existing SGG models and is straightforward to implement. We observe significant relative improvements in mR (between +6.6% and +20.4%) and competitive or better R (between -2.4% and 0.3%) across all standard SGG tasks.
Molecular optimization, which transforms a given input molecule X into another Y with desirable properties, is essential in molecular drug discovery. The traditional translating approaches, generating the molecular graphs from scratch by adding some substructures piece by piece, prone to error because of the large set of candidate substructures in a large number of steps to the final target. In this study, we present a novel molecular optimization paradigm, Graph Polish, which changes molecular optimization from the traditional "two-language translating" task into a "single-language polishing" task. The key to this optimization paradigm is to find an optimization center subject to the conditions that the preserved areas around it ought to be maximized and thereafter the removed and added regions should be minimized. We then propose an effective and efficient learning framework T&S polish to capture the long-term dependencies in the optimization steps. The T component automatically identifies and annotates the optimization centers and the preservation, removal and addition of some parts of the molecule, and the S component learns these behaviors and applies these actions to a new molecule. Furthermore, the proposed paradigm can offer an intuitive interpretation for each molecular optimization result. Experiments with multiple optimization tasks are conducted on four benchmark datasets. The proposed T&S polish approach achieves significant advantage over the five state-of-the-art baseline methods on all the tasks. In addition, extensive studies are conducted to validate the effectiveness, explainability and time saving of the novel optimization paradigm.
Scene graph generation aims to produce structured representations for images, which requires to understand the relations between objects. Due to the continuous nature of deep neural networks, the prediction of scene graphs is divided into object detection and relation classification. However, the independent relation classes cannot separate the visual features well. Although some methods organize the visual features into graph structures and use message passing to learn contextual information, they still suffer from drastic intra-class variations and unbalanced data distributions. One important factor is that they learn an unstructured output space that ignores the inherent structures of scene graphs. Accordingly, in this paper, we propose a Higher Order Structure Embedded Network (HOSE-Net) to mitigate this issue. First, we propose a novel structure-aware embedding-to-classifier(SEC) module to incorporate both local and global structural information of relationships into the output space. Specifically, a set of context embeddings are learned via local graph based message passing and then mapped to a global structure based classification space. Second, since learning too many context-specific classification subspaces can suffer from data sparsity issues, we propose a hierarchical semantic aggregation(HSA) module to reduces the number of subspaces by introducing higher order structural information. HSA is also a fast and flexible tool to automatically search a semantic object hierarchy based on relational knowledge graphs. Extensive experiments show that the proposed HOSE-Net achieves the state-of-the-art performance on two popular benchmarks of Visual Genome and VRD.
Research in scene graph generation has quickly gained traction in the past few years because of its potential to help in downstream tasks like visual question answering, image captioning, etc. Many interesting approaches have been proposed to tackle this problem. Most of these works have a pre-trained object detection model as a preliminary feature extractor. Therefore, getting object bounding box proposals from the object detection model is relatively cheaper. We take advantage of this ready availability of bounding box annotations produced by the pre-trained detector. We propose a set of three novel yet simple self-supervision tasks and train them as auxiliary multi-tasks to the main model. While comparing, we train the base-model from scratch with these self-supervision tasks, we achieve state-of-the-art results in all the metrics and recall settings. We also resolve some of the confusion between two types of relationships: geometric and possessive, by training the model with the proposed self-supervision losses. We use the benchmark dataset, Visual Genome to conduct our experiments and show our results.
In this paper, we propose an assistive model that supports professional interior designers to produce industrial interior decoration solutions and to meet the personalized preferences of the property owners. The proposed model is able to automatically produce the layout of objects of a particular indoor scene according to property owners' preferences. In particular, the model consists of the extraction of abstract graph, conditional graph generation, and conditional scene instantiation. We provide an interior layout dataset that contains real-world 11000 designs from professional designers. Our numerical results on the dataset demonstrate the effectiveness of the proposed model compared with the state-of-art methods.
Graph Convolutional Networks (GCNs) have already demonstrated their powerful ability to model the irregular data, e.g., skeletal data in human action recognition, providing an exciting new way to fuse rich structural information for nodes residing in different parts of a graph. In human action recognition, current works introduce a dynamic graph generation mechanism to better capture the underlying semantic skeleton connections and thus improves the performance. In this paper, we provide an orthogonal way to explore the underlying connections. Instead of introducing an expensive dynamic graph generation paradigm, we build a more efficient GCN on a Riemann manifold, which we think is a more suitable space to model the graph data, to make the extracted representations fit the embedding matrix. Specifically, we present a novel spatial-temporal GCN (ST-GCN) architecture which is defined via the Poincar\'e geometry such that it is able to better model the latent anatomy of the structure data. To further explore the optimal projection dimension in the Riemann space, we mix different dimensions on the manifold and provide an efficient way to explore the dimension for each ST-GCN layer. With the final resulted architecture, we evaluate our method on two current largest scale 3D datasets, i.e., NTU RGB+D and NTU RGB+D 120. The comparison results show that the model could achieve a superior performance under any given evaluation metrics with only 40\% model size when compared with the previous best GCN method, which proves the effectiveness of our model.
Scene graph aims to faithfully reveal humans' perception of image content. When humans analyze a scene, they usually prefer to describe image gist first, namely major objects and key relations in a scene graph. This humans' inherent perceptive habit implies that there exists a hierarchical structure about humans' preference during the scene parsing procedure. Therefore, we argue that a desirable scene graph should be also hierarchically constructed, and introduce a new scheme for modeling scene graph. Concretely, a scene is represented by a human-mimetic Hierarchical Entity Tree (HET) consisting of a series of image regions. To generate a scene graph based on HET, we parse HET with a Hybrid Long Short-Term Memory (Hybrid-LSTM) which specifically encodes hierarchy and siblings context to capture the structured information embedded in HET. To further prioritize key relations in the scene graph, we devise a Relation Ranking Module (RRM) to dynamically adjust their rankings by learning to capture humans' subjective perceptive habits from objective entity saliency and size. Experiments indicate that our method not only achieves state-of-the-art performances for scene graph generation, but also is expert in mining image-specific relations which play a great role in serving downstream tasks.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
Inferring objects and their relationships from an image in the form of a scene graph is useful in many applications at the intersection of vision and language. We consider a challenging problem of compositional generalization that emerges in this task due to a long tail data distribution. Current scene graph generation models are trained on a tiny fraction of the distribution corresponding to the most frequent compositions, e.g. <cup, on, table>. However, test images might contain zero- and few-shot compositions of objects and relationships, e.g. <cup, on, surfboard>. Despite each of the object categories and the predicate (e.g. 'on') being frequent in the training data, the models often fail to properly understand such unseen or rare compositions. To improve generalization, it is natural to attempt increasing the diversity of the training distribution. However, in the graph domain this is non-trivial. To that end, we propose a method to synthesize rare yet plausible scene graphs by perturbing real ones. We then propose and empirically study a model based on conditional generative adversarial networks (GANs) that allows us to generate visual features of perturbed scene graphs and learn from them in a joint fashion. When evaluated on the Visual Genome dataset, our approach yields marginal, but consistent improvements in zero- and few-shot metrics. We analyze the limitations of our approach indicating promising directions for future research.
Learning to infer graph representations and performing spatial reasoning in a complex surgical environment can play a vital role in surgical scene understanding in robotic surgery. For this purpose, we develop an approach to generate the scene graph and predict surgical interactions between instruments and surgical region of interest (ROI) during robot-assisted surgery. We design an attention link function and integrate with a graph parsing network to recognize the surgical interactions. To embed each node with corresponding neighbouring node features, we further incorporate SageConv into the network. The scene graph generation and active edge classification mostly depend on the embedding or feature extraction of node and edge features from complex image representation. Here, we empirically demonstrate the feature extraction methods by employing label smoothing weighted loss. Smoothing the hard label can avoid the over-confident prediction of the model and enhances the feature representation learned by the penultimate layer. To obtain the graph scene label, we annotate the bounding box and the instrument-ROI interactions on the robotic scene segmentation challenge 2018 dataset with an experienced clinical expert in robotic surgery and employ it to evaluate our propositions.
Modeling complex spatial and temporal correlations in the correlated time series data is indispensable for understanding the traffic dynamics and predicting the future status of an evolving traffic system. Recent works focus on designing complicated graph neural network architectures to capture shared patterns with the help of pre-defined graphs. In this paper, we argue that learning node-specific patterns is essential for traffic forecasting while the pre-defined graph is avoidable. To this end, we propose two adaptive modules for enhancing Graph Convolutional Network (GCN) with new capabilities: 1) a Node Adaptive Parameter Learning (NAPL) module to capture node-specific patterns; 2) a Data Adaptive Graph Generation (DAGG) module to infer the inter-dependencies among different traffic series automatically. We further propose an Adaptive Graph Convolutional Recurrent Network (AGCRN) to capture fine-grained spatial and temporal correlations in traffic series automatically based on the two modules and recurrent networks. Our experiments on two real-world traffic datasets show AGCRN outperforms state-of-the-art by a significant margin without pre-defined graphs about spatial connections.