Graph neural networks have emerged as a leading architecture for many graph-level tasks, such as graph classification and graph generation. As an essential component of the architecture, graph pooling is indispensable for obtaining a holistic graph-level representation of the whole graph. Although a great variety of methods have been proposed in this promising and fast-developing research field, to the best of our knowledge, little effort has been made to systematically summarize these works. To set the stage for the development of future works, in this paper, we attempt to fill this gap by providing a broad review of recent methods for graph pooling. Specifically, 1) we first propose a taxonomy of existing graph pooling methods with a mathematical summary for each category; 2) then, we provide an overview of the libraries related to graph pooling, including the commonly used datasets, model architectures for downstream tasks, and open-source implementations; 3) next, we further outline the applications that incorporate the idea of graph pooling in a variety of domains; 4) finally, we discuss certain critical challenges facing current studies and share our insights on future potential directions for research on the improvement of graph pooling.
Pre-trained sequence-to-sequence language models have led to widespread success in many natural language generation tasks. However, there has been relatively less work on analyzing their ability to generate structured outputs such as graphs. Unlike natural language, graphs have distinct structural and semantic properties in the context of a downstream NLP task, e.g., generating a graph that is connected and acyclic can be attributed to its structural constraints, while the semantics of a graph can refer to how meaningfully an edge represents the relation between two node concepts. In this work, we study pre-trained language models that generate explanation graphs in an end-to-end manner and analyze their ability to learn the structural constraints and semantics of such graphs. We first show that with limited supervision, pre-trained language models often generate graphs that either violate these constraints or are semantically incoherent. Since curating large amount of human-annotated graphs is expensive and tedious, we propose simple yet effective ways of graph perturbations via node and edge edit operations that lead to structurally and semantically positive and negative graphs. Next, we leverage these graphs in different contrastive learning models with Max-Margin and InfoNCE losses. Our methods lead to significant improvements in both structural and semantic accuracy of explanation graphs and also generalize to other similar graph generation tasks. Lastly, we show that human errors are the best negatives for contrastive learning and also that automatically generating more such human-like negative graphs can lead to further improvements. Our code and models are publicly available at https://github.com/swarnaHub/ExplagraphGen
The performance of current Scene Graph Generation models is severely hampered by some hard-to-distinguish predicates, e.g., "woman-on/standing on/walking on-beach" or "woman-near/looking at/in front of-child". While general SGG models are prone to predict head predicates and existing re-balancing strategies prefer tail categories, none of them can appropriately handle these hard-to-distinguish predicates. To tackle this issue, inspired by fine-grained image classification, which focuses on differentiating among hard-to-distinguish object classes, we propose a method named Fine-Grained Predicates Learning (FGPL) which aims at differentiating among hard-to-distinguish predicates for Scene Graph Generation task. Specifically, we first introduce a Predicate Lattice that helps SGG models to figure out fine-grained predicate pairs. Then, utilizing the Predicate Lattice, we propose a Category Discriminating Loss and an Entity Discriminating Loss, which both contribute to distinguishing fine-grained predicates while maintaining learned discriminatory power over recognizable ones. The proposed model-agnostic strategy significantly boosts the performances of three benchmark models (Transformer, VCTree, and Motif) by 22.8\%, 24.1\% and 21.7\% of Mean Recall (mR@100) on the Predicate Classification sub-task, respectively. Our model also outperforms state-of-the-art methods by a large margin (i.e., 6.1\%, 4.6\%, and 3.2\% of Mean Recall (mR@100)) on the Visual Genome dataset.
We approach the graph generation problem from a spectral perspective by first generating the dominant parts of the graph Laplacian spectrum and then building a graph matching these eigenvalues and eigenvectors. Spectral conditioning allows for direct modeling of the global and local graph structure and helps to overcome the expressivity and mode collapse issues of one-shot graph generators. Our novel GAN, called SPECTRE, enables the one-shot generation of much larger graphs than previously possible with one-shot models. SPECTRE outperforms state-of-the-art deep autoregressive generators in terms of modeling fidelity, while also avoiding expensive sequential generation and dependence on node ordering. A case in point, in sizable synthetic and real-world graphs SPECTRE achieves a 4-to-170 fold improvement over the best competitor that does not overfit and is 23-to-30 times faster than autoregressive generators.
Graph learning algorithms have attained state-of-the-art performance on many graph analysis tasks such as node classification, link prediction, and clustering. It has, however, become hard to track the field's burgeoning progress. One reason is due to the very small number of datasets used in practice to benchmark the performance of graph learning algorithms. This shockingly small sample size (~10) allows for only limited scientific insight into the problem. In this work, we aim to address this deficiency. We propose to generate synthetic graphs, and study the behaviour of graph learning algorithms in a controlled scenario. We develop a fully-featured synthetic graph generator that allows deep inspection of different models. We argue that synthetic graph generations allows for thorough investigation of algorithms and provides more insights than overfitting on three citation datasets. In the case study, we show how our framework provides insight into unsupervised and supervised graph neural network models.
Scene graph generation (SGG) is designed to extract (subject, predicate, object) triplets in images. Recent works have made a steady progress on SGG, and provide useful tools for high-level vision and language understanding. However, due to the data distribution problems including long-tail distribution and semantic ambiguity, the predictions of current SGG models tend to collapse to several frequent but uninformative predicates (e.g., on, at), which limits practical application of these models in downstream tasks. To deal with the problems above, we propose a novel Internal and External Data Transfer (IETrans) method, which can be applied in a plug-and-play fashion and expanded to large SGG with 1,807 predicate classes. Our IETrans tries to relieve the data distribution problem by automatically creating an enhanced dataset that provides more sufficient and coherent annotations for all predicates. By training on the enhanced dataset, a Neural Motif model doubles the macro performance while maintaining competitive micro performance. The code and data are publicly available at https://github.com/waxnkw/IETrans-SGG.pytorch.
A comprehensive representation of an image requires understanding objects and their mutual relationship, especially in image-to-graph generation, e.g., road network extraction, blood-vessel network extraction, or scene graph generation. Traditionally, image-to-graph generation is addressed with a two-stage approach consisting of object detection followed by a separate relation prediction, which prevents simultaneous object-relation interaction. This work proposes a unified one-stage transformer-based framework, namely Relationformer, that jointly predicts objects and their relations. We leverage direct set-based object prediction and incorporate the interaction among the objects to learn an object-relation representation jointly. In addition to existing [obj]-tokens, we propose a novel learnable token, namely [rln]-token. Together with [obj]-tokens, [rln]-token exploits local and global semantic reasoning in an image through a series of mutual associations. In combination with the pair-wise [obj]-token, the [rln]-token contributes to a computationally efficient relation prediction. We achieve state-of-the-art performance on multiple, diverse and multi-domain datasets that demonstrate our approach's effectiveness and generalizability.
Scene Graph Generation, which generally follows a regular encoder-decoder pipeline, aims to first encode the visual contents within the given image and then parse them into a compact summary graph. Existing SGG approaches generally not only neglect the insufficient modality fusion between vision and language, but also fail to provide informative predicates due to the biased relationship predictions, leading SGG far from practical. Towards this end, in this paper, we first present a novel Stacked Hybrid-Attention network, which facilitates the intra-modal refinement as well as the inter-modal interaction, to serve as the encoder. We then devise an innovative Group Collaborative Learning strategy to optimize the decoder. Particularly, based upon the observation that the recognition capability of one classifier is limited towards an extremely unbalanced dataset, we first deploy a group of classifiers that are expert in distinguishing different subsets of classes, and then cooperatively optimize them from two aspects to promote the unbiased SGG. Experiments conducted on VG and GQA datasets demonstrate that, we not only establish a new state-of-the-art in the unbiased metric, but also nearly double the performance compared with two baselines.
Scene graph generation is a sophisticated task because there is no specific recognition pattern (e.g., "looking at" and "near" have no conspicuous difference concerning vision, whereas "near" could occur between entities with different morphology). Thus some scene graph generation methods are trapped into most frequent relation predictions caused by capricious visual features and trivial dataset annotations. Therefore, recent works emphasized the "unbiased" approaches to balance predictions for a more informative scene graph. However, human's quick and accurate judgments over relations between numerous objects should be attributed to "bias" (i.e., experience and linguistic knowledge) rather than pure vision. To enhance the model capability, inspired by the "cognitive bias" mechanism, we propose a novel 3-paradigms framework that simulates how humans incorporate the label linguistic features as guidance of vision-based representations to better mine hidden relation patterns and alleviate noisy visual propagation. Our framework is model-agnostic to any scene graph model. Comprehensive experiments prove our framework outperforms baseline modules in several metrics with minimum parameters increment and achieves new SOTA performance on Visual Genome dataset.
We propose and analyse a novel statistical procedure, coined AgraSSt, to assess the quality of graph generators that may not be available in explicit form. In particular, AgraSSt can be used to determine whether a learnt graph generating process is capable of generating graphs that resemble a given input graph. Inspired by Stein operators for random graphs, the key idea of AgraSSt is the construction of a kernel discrepancy based on an operator obtained from the graph generator. AgraSSt can provide interpretable criticisms for a graph generator training procedure and help identify reliable sample batches for downstream tasks. Using Stein`s method we give theoretical guarantees for a broad class of random graph models. We provide empirical results on both synthetic input graphs with known graph generation procedures, and real-world input graphs that the state-of-the-art (deep) generative models for graphs are trained on.
Dynamic scene graph generation from a video is challenging due to the temporal dynamics of the scene and the inherent temporal fluctuations of predictions. We hypothesize that capturing long-term temporal dependencies is the key to effective generation of dynamic scene graphs. We propose to learn the long-term dependencies in a video by capturing the object-level consistency and inter-object relationship dynamics over object-level long-term tracklets using transformers. Experimental results demonstrate that our Dynamic Scene Graph Detection Transformer (DSG-DETR) outperforms state-of-the-art methods by a significant margin on the benchmark dataset Action Genome. Our ablation studies validate the effectiveness of each component of the proposed approach. The source code is available at https://github.com/Shengyu-Feng/DSG-DETR.
As a structured representation of the image content, the visual scene graph (visual relationship) acts as a bridge between computer vision and natural language processing. Existing models on the scene graph generation task notoriously require tens or hundreds of labeled samples. By contrast, human beings can learn visual relationships from a few or even one example. Inspired by this, we design a task named One-Shot Scene Graph Generation, where each relationship triplet (e.g., "dog-has-head") comes from only one labeled example. The key insight is that rather than learning from scratch, one can utilize rich prior knowledge. In this paper, we propose Multiple Structured Knowledge (Relational Knowledge and Commonsense Knowledge) for the one-shot scene graph generation task. Specifically, the Relational Knowledge represents the prior knowledge of relationships between entities extracted from the visual content, e.g., the visual relationships "standing in", "sitting in", and "lying in" may exist between "dog" and "yard", while the Commonsense Knowledge encodes "sense-making" knowledge like "dog can guard yard". By organizing these two kinds of knowledge in a graph structure, Graph Convolution Networks (GCNs) are used to extract knowledge-embedded semantic features of the entities. Besides, instead of extracting isolated visual features from each entity generated by Faster R-CNN, we utilize an Instance Relation Transformer encoder to fully explore their context information. Based on a constructed one-shot dataset, the experimental results show that our method significantly outperforms existing state-of-the-art methods by a large margin. Ablation studies also verify the effectiveness of the Instance Relation Transformer encoder and the Multiple Structured Knowledge.
Scene graph generation from images is a task of great interest to applications such as robotics, because graphs are the main way to represent knowledge about the world and regulate human-robot interactions in tasks such as Visual Question Answering (VQA). Unfortunately, its corresponding area of machine learning is still relatively in its infancy, and the solutions currently offered do not specialize well in concrete usage scenarios. Specifically, they do not take existing "expert" knowledge about the domain world into account; and that might indeed be necessary in order to provide the level of reliability demanded by the use case scenarios. In this paper, we propose an initial approximation to a framework called Ontology-Guided Scene Graph Generation (OG-SGG), that can improve the performance of an existing machine learning based scene graph generator using prior knowledge supplied in the form of an ontology (specifically, using the axioms defined within); and we present results evaluated on a specific scenario founded in telepresence robotics. These results show quantitative and qualitative improvements in the generated scene graphs.
Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.
We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows generates thousands of chemically valid molecules in seconds. Because of the efficient sampling, substructure filters can be applied as desired to eliminate compounds with unreasonable moieties. Using easily computable and learned metrics for druglikeness, synthetic accessibility, and synthetic complexity, we perform a multi-objective optimization to demonstrate how FastFlows functions in a high-throughput virtual screening context. Our model is significantly simpler and easier to train than autoregressive molecular generative models, and enables fast generation and identification of druglike, synthesizable molecules.
Generative models for graphs have been actively studied for decades, and they have a wide range of applications. Recently, learning-based graph generation that reproduces real-world graphs has been attracting the attention of many researchers. Although several generative models that utilize modern machine learning technologies have been proposed, conditional generation of general graphs has been less explored in the field. In this paper, we propose a generative model that allows us to tune the value of a global-level structural feature as a condition. Our model, called GraphTune, makes it possible to tune the value of any structural feature of generated graphs using Long Short Term Memory (LSTM) and a Conditional Variational AutoEncoder (CVAE). We performed comparative evaluations of GraphTune and conventional models on a real graph dataset. The evaluations show that GraphTune makes it possible to more clearly tune the value of a global-level structural feature better than conventional models.
Different objects in the same scene are more or less related to each other, but only a limited number of these relationships are noteworthy. Inspired by DETR, which excels in object detection, we view scene graph generation as a set prediction problem and propose an end-to-end scene graph generation model RelTR which has an encoder-decoder architecture. The encoder reasons about the visual feature context while the decoder infers a fixed-size set of triplets subject-predicate-object using different types of attention mechanisms with coupled subject and object queries. We design a set prediction loss performing the matching between the ground truth and predicted triplets for the end-to-end training. In contrast to most existing scene graph generation methods, RelTR is a one-stage method that predicts a set of relationships directly only using visual appearance without combining entities and labeling all possible predicates. Extensive experiments on the Visual Genome and Open Images V6 datasets demonstrate the superior performance and fast inference of our model.
Scene Graph Generation (SGG) aims to build a structured representation of a scene using objects and pairwise relationships, which benefits downstream tasks. However, current SGG methods usually suffer from sub-optimal scene graph generation because of the long-tailed distribution of training data. To address this problem, we propose Resistance Training using Prior Bias (RTPB) for the scene graph generation. Specifically, RTPB uses a distributed-based prior bias to improve models' detecting ability on less frequent relationships during training, thus improving the model generalizability on tail categories. In addition, to further explore the contextual information of objects and relationships, we design a contextual encoding backbone network, termed as Dual Transformer (DTrans). We perform extensive experiments on a very popular benchmark, VG150, to demonstrate the effectiveness of our method for the unbiased scene graph generation. In specific, our RTPB achieves an improvement of over 10% under the mean recall when applied to current SGG methods. Furthermore, DTrans with RTPB outperforms nearly all state-of-the-art methods with a large margin.
Scene Graph Generation (SGG) remains a challenging visual understanding task due to its compositional property. Most previous works adopt a bottom-up two-stage or a point-based one-stage approach, which often suffers from high time complexity or sub-optimal designs. In this work, we propose a novel SGG method to address the aforementioned issues, formulating the task as a bipartite graph construction problem. To solve the problem, we develop a transformer-based end-to-end framework that first generates the entity and predicate proposal set, followed by inferring directed edges to form the relation triplets. In particular, we develop a new entity-aware predicate representation based on a structural predicate generator that leverages the compositional property of relationships. Moreover, we design a graph assembling module to infer the connectivity of the bipartite scene graph based on our entity-aware structure, enabling us to generate the scene graph in an end-to-end manner. Extensive experimental results show that our design is able to achieve the state-of-the-art or comparable performance on two challenging benchmarks, surpassing most of the existing approaches and enjoying higher efficiency in inference. We hope our model can serve as a strong baseline for the Transformer-based scene graph generation. Code is available: https://github.com/Scarecrow0/SGTR
Unsupervised graph-level representation learning plays a crucial role in a variety of tasks such as molecular property prediction and community analysis, especially when data annotation is expensive. Currently, most of the best-performing graph embedding methods are based on Infomax principle. The performance of these methods highly depends on the selection of negative samples and hurt the performance, if the samples were not carefully selected. Inter-graph similarity-based methods also suffer if the selected set of graphs for similarity matching is low in quality. To address this, we focus only on utilizing the current input graph for embedding learning. We are motivated by an observation from real-world graph generation processes where the graphs are formed based on one or more global factors which are common to all elements of the graph (e.g., topic of a discussion thread, solubility level of a molecule). We hypothesize extracting these common factors could be highly beneficial. Hence, this work proposes a new principle for unsupervised graph representation learning: Graph-wise Common latent Factor EXtraction (GCFX). We further propose a deep model for GCFX, deepGCFX, based on the idea of reversing the above-mentioned graph generation process which could explicitly extract common latent factors from an input graph and achieve improved results on downstream tasks to the current state-of-the-art. Through extensive experiments and analysis, we demonstrate that, while extracting common latent factors is beneficial for graph-level tasks to alleviate distractions caused by local variations of individual nodes or local neighbourhoods, it also benefits node-level tasks by enabling long-range node dependencies, especially for disassortative graphs.