arXiv subjects

Junzhou Huang

Publications and source records attributed to Junzhou Huang.

At least 73 records · Page 4Linked to original sources

arXiv2022

Boost Test-Time Performance with Closed-Loop Inference

Conventional deep models predict a test sample with a single forward propagation, which, however, may not be sufficient for predicting hard-classified samples. On the contrary, we human beings may need to carefully check the sample many times before making a final decision. During the recheck process, one may refine/adjust the prediction by referring to related samples. Motivated by this, we propose to predict those hard-classified test samples in a looped manner to boost the model performance. However, this idea may pose a critical challenge: how to construct looped inference, so that the original erroneous predictions on these hard test samples can be corrected with little additional effort. To address this, we propose a general Closed-Loop Inference (CLI) method. Specifically, we first devise a filtering criterion to identify those hard-classified test samples that need additional inference loops. For each hard sample, we construct an additional auxiliary learning task based on its original top-$K$ predictions to calibrate the model, and then use the calibrated model to obtain the final prediction. Promising results on ImageNet (in-distribution test samples) and ImageNet-C (out-of-distribution test samples) demonstrate the effectiveness of CLI in improving the performance of any pre-trained model.

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arXiv2022

Query Driven-Graph Neural Networks for Community Search: From Non-Attributed, Attributed, to Interactive Attributed

Given one or more query vertices, Community Search (CS) aims to find densely intra-connected and loosely inter-connected structures containing query vertices. Attributed Community Search (ACS), a related problem, is more challenging since it finds communities with both cohesive structures and homogeneous vertex attributes. However, most methods for the CS task rely on inflexible pre-defined structures and studies for ACS treat each attribute independently. Moreover, the most popular ACS strategies decompose ACS into two separate sub-problems, i.e., the CS task and subsequent attribute filtering task. However, in real-world graphs, the community structure and the vertex attributes are closely correlated to each other. This correlation is vital for the ACS problem. In this paper, we propose Graph Neural Network models for both CS and ACS problems, i.e., Query Driven-GNN and Attributed Query Driven-GNN. In QD-GNN, we combine the local query-dependent structure and global graph embedding. In order to extend QD-GNN to handle attributes, we model vertex attributes as a bipartite graph and capture the relation between attributes by constructing GNNs on this bipartite graph. With a Feature Fusion operator, AQD-GNN processes the structure and attribute simultaneously and predicts communities according to each attributed query. Experiments on real-world graphs with ground-truth communities demonstrate that the proposed models outperform existing CS and ACS algorithms in terms of both efficiency and effectiveness. More recently, an interactive setting for CS is proposed that allows users to adjust the predicted communities. We further verify our approaches under the interactive setting and extend to the attributed context. Our method achieves 2.37% and 6.29% improvements in F1-score than the state-of-the-art model without attributes and with attributes respectively.

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arXiv2022

Equivariant Graph Mechanics Networks with Constraints

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and commonly geometrically-constrained. Current methods, particularly the ones based on equivariant Graph Neural Networks (GNNs), have targeted on the first two challenges but remain immature for constrained systems. In this paper, we propose Graph Mechanics Network (GMN) which is combinatorially efficient, equivariant and constraint-aware. The core of GMN is that it represents, by generalized coordinates, the forward kinematics information (positions and velocities) of a structural object. In this manner, the geometrical constraints are implicitly and naturally encoded in the forward kinematics. Moreover, to allow equivariant message passing in GMN, we have developed a general form of orthogonality-equivariant functions, given that the dynamics of constrained systems are more complicated than the unconstrained counterparts. Theoretically, the proposed equivariant formulation is proved to be universally expressive under certain conditions. Extensive experiments support the advantages of GMN compared to the state-of-the-art GNNs in terms of prediction accuracy, constraint satisfaction and data efficiency on the simulated systems consisting of particles, sticks and hinges, as well as two real-world datasets for molecular dynamics prediction and human motion capture.

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arXiv2022

Adversarial Attack Framework on Graph Embedding Models with Limited Knowledge

With the success of the graph embedding model in both academic and industry areas, the robustness of graph embedding against adversarial attack inevitably becomes a crucial problem in graph learning. Existing works usually perform the attack in a white-box fashion: they need to access the predictions/labels to construct their adversarial loss. However, the inaccessibility of predictions/labels makes the white-box attack impractical to a real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding models with black-box driven. We investigate the theoretical connections between graph signal processing and graph embedding models and formulate the graph embedding model as a general graph signal process with a corresponding graph filter. Therefore, we design a generalized adversarial attacker: GF-Attack. Without accessing any labels and model predictions, GF-Attack can perform the attack directly on the graph filter in a black-box fashion. We further prove that GF-Attack can perform an effective attack without knowing the number of layers of graph embedding models. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experiments validate the effectiveness of GF-Attack on several benchmark datasets.

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arXiv2022

Transformer for Graphs: An Overview from Architecture Perspective

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to adapt to the graph-structured data. However, a comprehensive literature review and systematical evaluation of these Transformer variants for graphs are still unavailable. It's imperative to sort out the existing Transformer models for graphs and systematically investigate their effectiveness on various graph tasks. In this survey, we provide a comprehensive review of various Graph Transformer models from the architectural design perspective. We first disassemble the existing models and conclude three typical ways to incorporate the graph information into the vanilla Transformer: 1) GNNs as Auxiliary Modules, 2) Improved Positional Embedding from Graphs, and 3) Improved Attention Matrix from Graphs. Furthermore, we implement the representative components in three groups and conduct a comprehensive comparison on various kinds of famous graph data benchmarks to investigate the real performance gain of each component. Our experiments confirm the benefits of current graph-specific modules on Transformer and reveal their advantages on different kinds of graph tasks.

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arXiv2022

DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its extensive use in many fields, such as ADMET prediction, virtual screening, protein folding and generative chemistry, little has been explored in terms of the out-of-distribution (OOD) learning problem with \emph{noise}, which is inevitable in real world AIDD applications. In this work, we present DrugOOD, a systematic OOD dataset curator and benchmark for AI-aided drug discovery, which comes with an open-source Python package that fully automates the data curation and OOD benchmarking processes. We focus on one of the most crucial problems in AIDD: drug target binding affinity prediction, which involves both macromolecule (protein target) and small-molecule (drug compound). In contrast to only providing fixed datasets, DrugOOD offers automated dataset curator with user-friendly customization scripts, rich domain annotations aligned with biochemistry knowledge, realistic noise annotations and rigorous benchmarking of state-of-the-art OOD algorithms. Since the molecular data is often modeled as irregular graphs using graph neural network (GNN) backbones, DrugOOD also serves as a valuable testbed for \emph{graph OOD learning} problems. Extensive empirical studies have shown a significant performance gap between in-distribution and out-of-distribution experiments, which highlights the need to develop better schemes that can allow for OOD generalization under noise for AIDD.

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arXiv2022

Deep Implicit Statistical Shape Models for 3D Medical Image Delineation

3D delineation of anatomical structures is a cardinal goal in medical imaging analysis. Prior to deep learning, statistical shape models that imposed anatomical constraints and produced high quality surfaces were a core technology. Prior to deep learning, statistical shape models that imposed anatomical constraints and produced high quality surfaces were a core technology. Today fully-convolutional networks (FCNs), while dominant, do not offer these capabilities. We present deep implicit statistical shape models (DISSMs), a new approach to delineation that marries the representation power of convolutional neural networks (CNNs) with the robustness of SSMs. DISSMs use a deep implicit surface representation to produce a compact and descriptive shape latent space that permits statistical models of anatomical variance. To reliably fit anatomically plausible shapes to an image, we introduce a novel rigid and non-rigid pose estimation pipeline that is modelled as a Markov decision process(MDP). We outline a training regime that includes inverted episodic training and a deep realization of marginal space learning (MSL). Intra-dataset experiments on the task of pathological liver segmentation demonstrate that DISSMs can perform more robustly than three leading FCN models, including nnU-Net: reducing the mean Hausdorff distance (HD) by 7.7-14.3mm and improving the worst case Dice-Sorensen coefficient (DSC) by 1.2-2.3%. More critically, cross-dataset experiments on a dataset directly reflecting clinical deployment scenarios demonstrate that DISSMs improve the mean DSC and HD by 3.5-5.9% and 12.3-24.5mm, respectively, and the worst-case DSC by 5.4-7.3%. These improvements are over and above any benefits from representing delineations with high-quality surface.

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arXiv2021

Generalization Bounds for Stochastic Gradient Langevin Dynamics: A Unified View via Information Leakage Analysis

Recently, generalization bounds of the non-convex empirical risk minimization paradigm using Stochastic Gradient Langevin Dynamics (SGLD) have been extensively studied. Several theoretical frameworks have been presented to study this problem from different perspectives, such as information theory and stability. In this paper, we present a unified view from privacy leakage analysis to investigate the generalization bounds of SGLD, along with a theoretical framework for re-deriving previous results in a succinct manner. Aside from theoretical findings, we conduct various numerical studies to empirically assess the information leakage issue of SGLD. Additionally, our theoretical and empirical results provide explanations for prior works that study the membership privacy of SGLD.

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arXiv2021

Graph Convolutional Module for Temporal Action Localization in Videos

Temporal action localization has long been researched in computer vision. Existing state-of-the-art action localization methods divide each video into multiple action units (i.e., proposals in two-stage methods and segments in one-stage methods) and then perform action recognition/regression on each of them individually, without explicitly exploiting their relations during learning. In this paper, we claim that the relations between action units play an important role in action localization, and a more powerful action detector should not only capture the local content of each action unit but also allow a wider field of view on the context related to it. To this end, we propose a general graph convolutional module (GCM) that can be easily plugged into existing action localization methods, including two-stage and one-stage paradigms. To be specific, we first construct a graph, where each action unit is represented as a node and their relations between two action units as an edge. Here, we use two types of relations, one for capturing the temporal connections between different action units, and the other one for characterizing their semantic relationship. Particularly for the temporal connections in two-stage methods, we further explore two different kinds of edges, one connecting the overlapping action units and the other one connecting surrounding but disjointed units. Upon the graph we built, we then apply graph convolutional networks (GCNs) to model the relations among different action units, which is able to learn more informative representations to enhance action localization. Experimental results show that our GCM consistently improves the performance of existing action localization methods, including two-stage methods (e.g., CBR and R-C3D) and one-stage methods (e.g., D-SSAD), verifying the generality and effectiveness of our GCM.

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arXiv2021

TVT: Transferable Vision Transformer for Unsupervised Domain Adaptation

Unsupervised domain adaptation (UDA) aims to transfer the knowledge learnt from a labeled source domain to an unlabeled target domain. Previous work is mainly built upon convolutional neural networks (CNNs) to learn domain-invariant representations. With the recent exponential increase in applying Vision Transformer (ViT) to vision tasks, the capability of ViT in adapting cross-domain knowledge, however, remains unexplored in the literature. To fill this gap, this paper first comprehensively investigates the transferability of ViT on a variety of domain adaptation tasks. Surprisingly, ViT demonstrates superior transferability over its CNNs-based counterparts with a large margin, while the performance can be further improved by incorporating adversarial adaptation. Notwithstanding, directly using CNNs-based adaptation strategies fails to take the advantage of ViT's intrinsic merits (e.g., attention mechanism and sequential image representation) which play an important role in knowledge transfer. To remedy this, we propose an unified framework, namely Transferable Vision Transformer (TVT), to fully exploit the transferability of ViT for domain adaptation. Specifically, we delicately devise a novel and effective unit, which we term Transferability Adaption Module (TAM). By injecting learned transferabilities into attention blocks, TAM compels ViT focus on both transferable and discriminative features. Besides, we leverage discriminative clustering to enhance feature diversity and separation which are undermined during adversarial domain alignment. To verify its versatility, we perform extensive studies of TVT on four benchmarks and the experimental results demonstrate that TVT attains significant improvements compared to existing state-of-the-art UDA methods.

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arXiv2021

CoDiM: Learning with Noisy Labels via Contrastive Semi-Supervised Learning

Labels are costly and sometimes unreliable. Noisy label learning, semi-supervised learning, and contrastive learning are three different strategies for designing learning processes requiring less annotation cost. Semi-supervised learning and contrastive learning have been recently demonstrated to improve learning strategies that address datasets with noisy labels. Still, the inner connections between these fields as well as the potential to combine their strengths together have only started to emerge. In this paper, we explore further ways and advantages to fuse them. Specifically, we propose CSSL, a unified Contrastive Semi-Supervised Learning algorithm, and CoDiM (Contrastive DivideMix), a novel algorithm for learning with noisy labels. CSSL leverages the power of classical semi-supervised learning and contrastive learning technologies and is further adapted to CoDiM, which learns robustly from multiple types and levels of label noise. We show that CoDiM brings consistent improvements and achieves state-of-the-art results on multiple benchmarks.

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arXiv2021

Provably Improved Context-Based Offline Meta-RL with Attention and Contrastive Learning

Meta-learning for offline reinforcement learning (OMRL) is an understudied problem with tremendous potential impact by enabling RL algorithms in many real-world applications. A popular solution to the problem is to infer task identity as augmented state using a context-based encoder, for which efficient learning of robust task representations remains an open challenge. In this work, we provably improve upon one of the SOTA OMRL algorithms, FOCAL, by incorporating intra-task attention mechanism and inter-task contrastive learning objectives, to robustify task representation learning against sparse reward and distribution shift. Theoretical analysis and experiments are presented to demonstrate the superior performance and robustness of our end-to-end and model-free framework compared to prior algorithms across multiple meta-RL benchmarks.

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arXiv2021

FedGraphNN: A Federated Learning System and Benchmark for Graph Neural Networks

Graph Neural Network (GNN) research is rapidly growing thanks to the capacity of GNNs in learning distributed representations from graph-structured data. However, centralizing a massive amount of real-world graph data for GNN training is prohibitive due to privacy concerns, regulation restrictions, and commercial competitions. Federated learning (FL), a trending distributed learning paradigm, provides possibilities to solve this challenge while preserving data privacy. Despite recent advances in vision and language domains, there is no suitable platform for the FL of GNNs. To this end, we introduce FedGraphNN, an open FL benchmark system that can facilitate research on federated GNNs. FedGraphNN is built on a unified formulation of graph FL and contains a wide range of datasets from different domains, popular GNN models, and FL algorithms, with secure and efficient system support. Particularly for the datasets, we collect, preprocess, and partition 36 datasets from 7 domains, including both publicly available ones and specifically obtained ones such as hERG and Tencent. Our empirical analysis showcases the utility of our benchmark system, while exposing significant challenges in graph FL: federated GNNs perform worse in most datasets with a non-IID split than centralized GNNs; the GNN model that attains the best result in the centralized setting may not maintain its advantage in the FL setting. These results imply that more research efforts are needed to unravel the mystery behind federated GNNs. Moreover, our system performance analysis demonstrates that the FedGraphNN system is computationally efficient and secure to large-scale graphs datasets. We maintain the source code at https://github.com/FedML-AI/FedGraphNN.

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arXiv2021

Spectral Graph Attention Network with Fast Eigen-approximation

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn attention weights for each edge in the spatial domain. However, learning the attentions over edges can only focus on the local information of graphs and greatly increases the computational costs. In this paper, we first introduce the attention mechanism in the spectral domain of graphs and present Spectral Graph Attention Network (SpGAT) that learns representations for different frequency components regarding weighted filters and graph wavelets bases. In this way, SpGAT can better capture global patterns of graphs in an efficient manner with much fewer learned parameters than that of GAT. Further, to reduce the computational cost of SpGAT brought by the eigen-decomposition, we propose a fast approximation variant SpGAT-Cheby. We thoroughly evaluate the performance of SpGAT and SpGAT-Cheby in semi-supervised node classification tasks and verify the effectiveness of the learned attentions in the spectral domain.

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arXiv2021

Exploring Robustness of Unsupervised Domain Adaptation in Semantic Segmentation

Recent studies imply that deep neural networks are vulnerable to adversarial examples -- inputs with a slight but intentional perturbation are incorrectly classified by the network. Such vulnerability makes it risky for some security-related applications (e.g., semantic segmentation in autonomous cars) and triggers tremendous concerns on the model reliability. For the first time, we comprehensively evaluate the robustness of existing UDA methods and propose a robust UDA approach. It is rooted in two observations: (i) the robustness of UDA methods in semantic segmentation remains unexplored, which pose a security concern in this field; and (ii) although commonly used self-supervision (e.g., rotation and jigsaw) benefits image tasks such as classification and recognition, they fail to provide the critical supervision signals that could learn discriminative representation for segmentation tasks. These observations motivate us to propose adversarial self-supervision UDA (or ASSUDA) that maximizes the agreement between clean images and their adversarial examples by a contrastive loss in the output space. Extensive empirical studies on commonly used benchmarks demonstrate that ASSUDA is resistant to adversarial attacks.

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arXiv2021

Co-Heterogeneous and Adaptive Segmentation from Multi-Source and Multi-Phase CT Imaging Data: A Study on Pathological Liver and Lesion Segmentation

In medical imaging, organ/pathology segmentation models trained on current publicly available and fully-annotated datasets usually do not well-represent the heterogeneous modalities, phases, pathologies, and clinical scenarios encountered in real environments. On the other hand, there are tremendous amounts of unlabelled patient imaging scans stored by many modern clinical centers. In this work, we present a novel segmentation strategy, co-heterogenous and adaptive segmentation (CHASe), which only requires a small labeled cohort of single phase imaging data to adapt to any unlabeled cohort of heterogenous multi-phase data with possibly new clinical scenarios and pathologies. To do this, we propose a versatile framework that fuses appearance based semi-supervision, mask based adversarial domain adaptation, and pseudo-labeling. We also introduce co-heterogeneous training, which is a novel integration of co-training and hetero modality learning. We have evaluated CHASe using a clinically comprehensive and challenging dataset of multi-phase computed tomography (CT) imaging studies (1147 patients and 4577 3D volumes). Compared to previous state-of-the-art baselines, CHASe can further improve pathological liver mask Dice-Sorensen coefficients by ranges of $4.2\% \sim 9.4\%$, depending on the phase combinations: e.g., from $84.6\%$ to $94.0\%$ on non-contrast CTs.

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arXiv2021

Learning Diverse-Structured Networks for Adversarial Robustness

In adversarial training (AT), the main focus has been the objective and optimizer while the model has been less studied, so that the models being used are still those classic ones in standard training (ST). Classic network architectures (NAs) are generally worse than searched NAs in ST, which should be the same in AT. In this paper, we argue that NA and AT cannot be handled independently, since given a dataset, the optimal NA in ST would be no longer optimal in AT. That being said, AT is time-consuming itself; if we directly search NAs in AT over large search spaces, the computation will be practically infeasible. Thus, we propose a diverse-structured network (DS-Net), to significantly reduce the size of the search space: instead of low-level operations, we only consider predefined atomic blocks, where an atomic block is a time-tested building block like the residual block. There are only a few atomic blocks and thus we can weight all atomic blocks rather than find the best one in a searched block of DS-Net, which is an essential trade-off between exploring diverse structures and exploiting the best structures. Empirical results demonstrate the advantages of DS-Net, i.e., weighting the atomic blocks.

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arXiv2021

Improving Generalization in Meta-learning via Task Augmentation

Meta-learning has proven to be a powerful paradigm for transferring the knowledge from previous tasks to facilitate the learning of a novel task. Current dominant algorithms train a well-generalized model initialization which is adapted to each task via the support set. The crux lies in optimizing the generalization capability of the initialization, which is measured by the performance of the adapted model on the query set of each task. Unfortunately, this generalization measure, evidenced by empirical results, pushes the initialization to overfit the meta-training tasks, which significantly impairs the generalization and adaptation to novel tasks. To address this issue, we actively augment a meta-training task with "more data" when evaluating the generalization. Concretely, we propose two task augmentation methods, including MetaMix and Channel Shuffle. MetaMix linearly combines features and labels of samples from both the support and query sets. For each class of samples, Channel Shuffle randomly replaces a subset of their channels with the corresponding ones from a different class. Theoretical studies show how task augmentation improves the generalization of meta-learning. Moreover, both MetaMix and Channel Shuffle outperform state-of-the-art results by a large margin across many datasets and are compatible with existing meta-learning algorithms.

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