Current Scene Graph Generation (SGG) methods tend to predict frequent predicate categories and fail to recognize rare ones due to the severe imbalanced distribution of predicates. To improve the robustness of SGG models on different predicate categories, recent research has focused on unbiased SGG and adopted mean Recall@K (mR@K) as the main evaluation metric. However, we discovered two overlooked issues about this de facto standard metric, which makes current unbiased SGG evaluation vulnerable and unfair: 1) mR@K neglects the correlations among predicates and unintentionally breaks category independence when ranking all the triplet predictions together regardless of the predicate categories. 2) mR@K neglects the compositional diversity of different predicates and assigns excessively high weights to some oversimple category samples with limited composable relation triplet types. In addition, we investigate the under-explored correlation between objects and predicates, which can serve as a simple but strong baseline for unbiased SGG. In this paper, we refine mR@K and propose two complementary evaluation metrics for unbiased SGG: Independent Mean Recall (MR) and weighted IMR (wIMR). These two metrics are designed by considering the category independence and diversity of composable relation triplets, respectively. We compare the proposed metrics with the de facto standard metrics through extensive experiments and discuss the solutions to evaluate unbiased SGG in a more trustworthy way.
Recently, increasing efforts have been focused on Weakly Supervised Scene Graph Generation (WSSGG). The mainstream solution for WSSGG typically follows the same pipeline: they first align text entities in the weak image-level supervisions (e.g., unlocalized relation triplets or captions) with image regions, and then train SGG models in a fully-supervised manner with aligned instance-level "pseudo" labels. However, we argue that most existing WSSGG works only focus on object-consistency, which means the grounded regions should have the same object category label as text entities. While they neglect another basic requirement for an ideal alignment: interaction-consistency, which means the grounded region pairs should have the same interactions (i.e., visual relations) as text entity pairs. Hence, in this paper, we propose to enhance a simple grounding module with both object-aware and interaction-aware knowledge to acquire more reliable pseudo labels. To better leverage these two types of knowledge, we regard them as two teachers and fuse their generated targets to guide the training process of our grounding module. Specifically, we design two different strategies to adaptively assign weights to different teachers by assessing their reliability on each training sample. Extensive experiments have demonstrated that our method consistently improves WSSGG performance on various kinds of weak supervision.
The task of scene graph generation entails identifying object entities and their corresponding interaction predicates in a given image (or video). Due to the combinatorially large solution space, existing approaches to scene graph generation assume certain factorization of the joint distribution to make the estimation feasible (e.g., assuming that objects are conditionally independent of predicate predictions). However, this fixed factorization is not ideal under all scenarios (e.g., for images where an object entailed in interaction is small and not discernible on its own). In this work, we propose a novel framework for scene graph generation that addresses this limitation, as well as introduces dynamic conditioning on the image, using message passing in a Markov Random Field. This is implemented as an iterative refinement procedure wherein each modification is conditioned on the graph generated in the previous iteration. This conditioning across refinement steps allows joint reasoning over entities and relations. This framework is realized via a novel and end-to-end trainable transformer-based architecture. In addition, the proposed framework can improve existing approach performance. Through extensive experiments on Visual Genome and Action Genome benchmark datasets we show improved performance on the scene graph generation.
Nearly all existing scene graph generation (SGG) models have overlooked the ground-truth annotation qualities of mainstream SGG datasets, i.e., they assume: 1) all the manually annotated positive samples are equally correct; 2) all the un-annotated negative samples are absolutely background. In this paper, we argue that neither of the assumptions applies to SGG: there are numerous noisy ground-truth predicate labels that break these two assumptions and harm the training of unbiased SGG models. To this end, we propose a novel NoIsy label CorrEction and Sample Training strategy for SGG: NICEST. Specifically, it consists of two parts: NICE and NIST, which rule out these noisy label issues by generating high-quality samples and the effective training strategy, respectively. NICE first detects noisy samples and then reassigns them more high-quality soft predicate labels. NIST is a multi-teacher knowledge distillation based training strategy, which enables the model to learn unbiased fusion knowledge. And a dynamic trade-off weighting strategy in NIST is designed to penalize the bias of different teachers. Due to the model-agnostic nature of both NICE and NIST, our NICEST can be seamlessly incorporated into any SGG architecture to boost its performance on different predicate categories. In addition, to better evaluate the generalization of SGG models, we further propose a new benchmark VG-OOD, by re-organizing the prevalent VG dataset and deliberately making the predicate distributions of the training and test sets as different as possible for each subject-object category pair. This new benchmark helps disentangle the influence of subject-object category based frequency biases. Extensive ablations and results on different backbones and tasks have attested to the effectiveness and generalization ability of each component of NICEST.
Video scene graph generation (VidSGG) aims to parse the video content into scene graphs, which involves modeling the spatio-temporal contextual information in the video. However, due to the long-tailed training data in datasets, the generalization performance of existing VidSGG models can be affected by the spatio-temporal conditional bias problem. In this work, from the perspective of meta-learning, we propose a novel Meta Video Scene Graph Generation (MVSGG) framework to address such a bias problem. Specifically, to handle various types of spatio-temporal conditional biases, our framework first constructs a support set and a group of query sets from the training data, where the data distribution of each query set is different from that of the support set w.r.t. a type of conditional bias. Then, by performing a novel meta training and testing process to optimize the model to obtain good testing performance on these query sets after training on the support set, our framework can effectively guide the model to learn to well generalize against biases. Extensive experiments demonstrate the efficacy of our proposed framework.
Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of all atoms. We note that most previous work handles 2D and 3D information separately, while jointly leveraging these two sources may foster a more informative representation. In this work, we explore this appealing idea and propose a new representation learning method based on a unified 2D and 3D pre-training. Atom coordinates and interatomic distances are encoded and then fused with atomic representations through graph neural networks. The model is pre-trained on three tasks: reconstruction of masked atoms and coordinates, 3D conformation generation conditioned on 2D graph, and 2D graph generation conditioned on 3D conformation. We evaluate our method on 11 downstream molecular property prediction tasks: 7 with 2D information only and 4 with both 2D and 3D information. Our method achieves state-of-the-art results on 10 tasks, and the average improvement on 2D-only tasks is 8.3%. Our method also achieves significant improvement on two 3D conformation generation tasks.
The current studies of Scene Graph Generation (SGG) focus on solving the long-tailed problem for generating unbiased scene graphs. However, most de-biasing methods overemphasize the tail predicates and underestimate head ones throughout training, thereby wrecking the representation ability of head predicate features. Furthermore, these impaired features from head predicates harm the learning of tail predicates. In fact, the inference of tail predicates heavily depends on the general patterns learned from head ones, e.g., "standing on" depends on "on". Thus, these de-biasing SGG methods can neither achieve excellent performance on tail predicates nor satisfying behaviors on head ones. To address this issue, we propose a Dual-branch Hybrid Learning network (DHL) to take care of both head predicates and tail ones for SGG, including a Coarse-grained Learning Branch (CLB) and a Fine-grained Learning Branch (FLB). Specifically, the CLB is responsible for learning expertise and robust features of head predicates, while the FLB is expected to predict informative tail predicates. Furthermore, DHL is equipped with a Branch Curriculum Schedule (BCS) to make the two branches work well together. Experiments show that our approach achieves a new state-of-the-art performance on VG and GQA datasets and makes a trade-off between the performance of tail predicates and head ones. Moreover, extensive experiments on two downstream tasks (i.e., Image Captioning and Sentence-to-Graph Retrieval) further verify the generalization and practicability of our method.
Machine learning systems typically apply the same model to both easy and tough cases. This is in stark contrast with humans, who tend to evoke either fast (instinctive) or slow (analytical) thinking depending on the problem difficulty, a property called the dual-process theory of mind. We present FLOWGEN, a graph-generation model inspired by the dual-process theory of mind that generates large graphs incrementally. Depending on the difficulty of completing the graph at the current step, graph generation is routed to either a fast (weaker) or a slow (stronger) model. These modules have identical architectures, but vary in the number of parameters and consequently differ in generative power. Experiments on real-world graphs show that ours can successfully generate graphs similar to those generated by a single large model, while being up to 2x faster.
The performance of current Scene Graph Generation (SGG) models is severely hampered by hard-to-distinguish predicates, e.g., woman-on/standing on/walking on-beach. As general SGG models tend to predict head predicates and re-balancing strategies prefer tail categories, none of them can appropriately handle hard-to-distinguish predicates. To tackle this issue, inspired by fine-grained image classification, which focuses on differentiating hard-to-distinguish objects, we propose an Adaptive Fine-Grained Predicates Learning (FGPL-A) which aims at differentiating hard-to-distinguish predicates for SGG. First, we introduce an Adaptive Predicate Lattice (PL-A) to figure out hard-to-distinguish predicates, which adaptively explores predicate correlations in keeping with model's dynamic learning pace. Practically, PL-A is initialized from SGG dataset, and gets refined by exploring model's predictions of current mini-batch. Utilizing PL-A, we propose an Adaptive Category Discriminating Loss (CDL-A) and an Adaptive Entity Discriminating Loss (EDL-A), which progressively regularize model's discriminating process with fine-grained supervision concerning model's dynamic learning status, ensuring balanced and efficient learning process. Extensive experimental results show that our proposed model-agnostic strategy significantly boosts performance of benchmark models on VG-SGG and GQA-SGG datasets by up to 175% and 76% on Mean Recall@100, achieving new state-of-the-art performance. Moreover, experiments on Sentence-to-Graph Retrieval and Image Captioning tasks further demonstrate practicability of our method.
As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph datasets are often generated from online, highly privacy-restricted ecosystems, which makes research and development on these datasets hard, if not impossible. This greatly reduces the amount of benchmark graphs available to researchers, causing the field to rely only on a handful of publicly-available datasets. To address this problem, we introduce a novel graph generative model, Computation Graph Transformer (CGT) that learns and reproduces the distribution of real-world graphs in a privacy-controlled way. More specifically, CGT (1) generates effective benchmark graphs on which GNNs show similar task performance as on the source graphs, (2) scales to process large-scale graphs, (3) incorporates off-the-shelf privacy modules to guarantee end-user privacy of the generated graph. Extensive experiments across a vast body of graph generative models show that only our model can successfully generate privacy-controlled, synthetic substitutes of large-scale real-world graphs that can be effectively used to benchmark GNN models.
Applications based on image retrieval require editing and associating in intermediate spaces that are representative of the high-level concepts like objects and their relationships rather than dense, pixel-level representations like RGB images or semantic-label maps. We focus on one such representation, scene graphs, and propose a novel scene expansion task where we enrich an input seed graph by adding new nodes (objects) and the corresponding relationships. To this end, we formulate scene graph expansion as a sequential prediction task involving multiple steps of first predicting a new node and then predicting the set of relationships between the newly predicted node and previous nodes in the graph. We propose a sequencing strategy for observed graphs that retains the clustering patterns amongst nodes. In addition, we leverage external knowledge to train our graph generation model, enabling greater generalization of node predictions. Due to the inefficiency of existing maximum mean discrepancy (MMD) based metrics for graph generation problems in evaluating predicted relationships between nodes (objects), we design novel metrics that comprehensively evaluate different aspects of predicted relations. We conduct extensive experiments on Visual Genome and VRD datasets to evaluate the expanded scene graphs using the standard MMD-based metrics and our proposed metrics. We observe that the graphs generated by our method, GEMS, better represent the real distribution of the scene graphs than the baseline methods like GraphRNN.
Directly motivated by security-related applications from the Homeland Security Enterprise, we focus on the privacy-preserving analysis of graph data, which provides the crucial capacity to represent rich attributes and relationships. In particular, we discuss two directions, namely privacy-preserving graph generation and federated graph learning, which can jointly enable the collaboration among multiple parties each possessing private graph data. For each direction, we identify both "quick wins" and "hard problems". Towards the end, we demonstrate a user interface that can facilitate model explanation, interpretation, and visualization. We believe that the techniques developed in these directions will significantly enhance the capabilities of the Homeland Security Enterprise to tackle and mitigate the various security risks.
Scene Graph Generation (SGG) represents objects and their interactions with a graph structure. Recently, many works are devoted to solving the imbalanced problem in SGG. However, underestimating the head predicates in the whole training process, they wreck the features of head predicates that provide general features for tail ones. Besides, assigning excessive attention to the tail predicates leads to semantic deviation. Based on this, we propose a novel SGG framework, learning to generate scene graphs from Head to Tail (SGG-HT), containing Curriculum Re-weight Mechanism (CRM) and Semantic Context Module (SCM). CRM learns head/easy samples firstly for robust features of head predicates and then gradually focuses on tail/hard ones. SCM is proposed to relieve semantic deviation by ensuring the semantic consistency between the generated scene graph and the ground truth in global and local representations. Experiments show that SGG-HT significantly alleviates the biased problem and chieves state-of-the-art performances on Visual Genome.
As a structured prediction task, scene graph generation, given an input image, aims to explicitly model objects and their relationships by constructing a visually-grounded scene graph. In the current literature, such task is universally solved via a message passing neural network based mean field variational Bayesian methodology. The classical loose evidence lower bound is generally chosen as the variational inference objective, which could induce oversimplified variational approximation and thus underestimate the underlying complex posterior. In this paper, we propose a novel doubly reparameterized importance weighted structure learning method, which employs a tighter importance weighted lower bound as the variational inference objective. It is computed from multiple samples drawn from a reparameterizable Gumbel-Softmax sampler and the resulting constrained variational inference task is solved by a generic entropic mirror descent algorithm. The resulting doubly reparameterized gradient estimator reduces the variance of the corresponding derivatives with a beneficial impact on learning. The proposed method achieves the state-of-the-art performance on various popular scene graph generation benchmarks.
Detecting which nodes in graphs are outliers is a relatively new machine learning task with numerous applications. Despite the proliferation of algorithms developed in recent years for this task, there has been no standard comprehensive setting for performance evaluation. Consequently, it has been difficult to understand which methods work well and when under a broad range of settings. To bridge this gap, we present--to the best of our knowledge--the first comprehensive benchmark for unsupervised outlier node detection on static attributed graphs called BOND, with the following highlights. (1) We benchmark the outlier detection performance of 14 methods ranging from classical matrix factorization to the latest graph neural networks. (2) Using nine real datasets, our benchmark assesses how the different detection methods respond to two major types of synthetic outliers and separately to "organic" (real non-synthetic) outliers. (3) Using an existing random graph generation technique, we produce a family of synthetically generated datasets of different graph sizes that enable us to compare the running time and memory usage of the different outlier detection algorithms. Based on our experimental results, we discuss the pros and cons of existing graph outlier detection algorithms, and we highlight opportunities for future research. Importantly, our code is freely available and meant to be easily extendable: https://github.com/pygod-team/pygod/tree/main/benchmark
We present a method to learn automaton models that are more robust to input modifications. It iteratively aligns sequences to a learned model, modifies the sequences to their aligned versions, and re-learns the model. Automaton learning algorithms are typically very good at modeling the frequent behavior of a software system. Our solution can be used to also learn the behavior present in infrequent sequences, as these will be aligned to the frequent ones represented by the model. We apply our method to the SAGE tool for modeling attacker behavior from intrusion alerts. In experiments, we demonstrate that our algorithm learns models that can handle noise such as added and removed symbols from sequences. Furthermore, it learns more concise models that fit better to the training data.
Unbiased SGG has achieved significant progress over recent years. However, almost all existing SGG models have overlooked the ground-truth annotation qualities of prevailing SGG datasets, i.e., they always assume: 1) all the manually annotated positive samples are equally correct; 2) all the un-annotated negative samples are absolutely background. In this paper, we argue that both assumptions are inapplicable to SGG: there are numerous "noisy" groundtruth predicate labels that break these two assumptions, and these noisy samples actually harm the training of unbiased SGG models. To this end, we propose a novel model-agnostic NoIsy label CorrEction strategy for SGG: NICE. NICE can not only detect noisy samples but also reassign more high-quality predicate labels to them. After the NICE training, we can obtain a cleaner version of SGG dataset for model training. Specifically, NICE consists of three components: negative Noisy Sample Detection (Neg-NSD), positive NSD (Pos-NSD), and Noisy Sample Correction (NSC). Firstly, in Neg-NSD, we formulate this task as an out-of-distribution detection problem, and assign pseudo labels to all detected noisy negative samples. Then, in Pos-NSD, we use a clustering-based algorithm to divide all positive samples into multiple sets, and treat the samples in the noisiest set as noisy positive samples. Lastly, in NSC, we use a simple but effective weighted KNN to reassign new predicate labels to noisy positive samples. Extensive results on different backbones and tasks have attested to the effectiveness and generalization abilities of each component of NICE.
We propose a novel and trainable graph unpooling layer for effective graph generation. Given a graph with features, the unpooling layer enlarges this graph and learns its desired new structure and features. Since this unpooling layer is trainable, it can be applied to graph generation either in the decoder of a variational autoencoder or in the generator of a generative adversarial network (GAN). We prove that the unpooled graph remains connected and any connected graph can be sequentially unpooled from a 3-nodes graph. We apply the unpooling layer within the GAN generator. Since the most studied instance of graph generation is molecular generation, we test our ideas in this context. Using the QM9 and ZINC datasets, we demonstrate the improvement obtained by using the unpooling layer instead of an adjacency-matrix-based approach.
Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge for automating this task. In this paper, we propose MolScribe, a novel image-to-graph generation model that explicitly predicts atoms and bonds, along with their geometric layouts, to construct the molecular structure. Our model flexibly incorporates symbolic chemistry constraints to recognize chirality and expand abbreviated structures. We further develop data augmentation strategies to enhance the model robustness against domain shifts. In experiments on both synthetic and realistic molecular images, MolScribe significantly outperforms previous models, achieving 76-93% accuracy on public benchmarks. Chemists can also easily verify MolScribe's prediction, informed by its confidence estimation and atom-level alignment with the input image. MolScribe is publicly available through Python and web interfaces: https://github.com/thomas0809/MolScribe.
Temporal domain generalization is a promising yet extremely challenging area where the goal is to learn models under temporally changing data distributions and generalize to unseen data distributions following the trends of the change. The advancement of this area is challenged by: 1) characterizing data distribution drift and its impacts on models, 2) expressiveness in tracking the model dynamics, and 3) theoretical guarantee on the performance. To address them, we propose a Temporal Domain Generalization with Drift-Aware Dynamic Neural Network (DRAIN) framework. Specifically, we formulate the problem into a Bayesian framework that jointly models the relation between data and model dynamics. We then build a recurrent graph generation scenario to characterize the dynamic graph-structured neural networks learned across different time points. It captures the temporal drift of model parameters and data distributions and can predict models in the future without the presence of future data. In addition, we explore theoretical guarantees of the model performance under the challenging temporal DG setting and provide theoretical analysis, including uncertainty and generalization error. Finally, extensive experiments on several real-world benchmarks with temporal drift demonstrate the effectiveness and efficiency of the proposed method.