Siamese Contrastive Embedding Network for Compositional Zero-Shot Learning

Compositional Zero-Shot Learning (CZSL) aims to recognize unseen compositions formed from seen state and object during training. Since the same state may be various in the visual appearance while entangled with different objects, CZSL is still a challenging task. Some methods recognize state and object with two trained classifiers, ignoring the impact of the interaction between object and state; the other methods try to learn the joint representation of the state-object compositions, leading to the domain gap between seen and unseen composition sets. In this paper, we propose a novel Siamese Contrastive Embedding Network (SCEN) (Code: https://github.com/XDUxyLi/SCEN-master) for unseen composition recognition. Considering the entanglement between state and object, we embed the visual feature into a Siamese Contrastive Space to capture prototypes of them separately, alleviating the interaction between state and object. In addition, we design a State Transition Module (STM) to increase the diversity of training compositions, improving the robustness of the recognition model. Extensive experiments indicate that our method significantly outperforms the state-of-the-art approaches on three challenging benchmark datasets, including the recent proposed C-QGA dataset.

MSR: Making Self-supervised learning Robust to Aggressive Augmentations

Most recent self-supervised learning methods learn visual representation by contrasting different augmented views of images. Compared with supervised learning, more aggressive augmentations have been introduced to further improve the diversity of training pairs. However, aggressive augmentations may distort images' structures leading to a severe semantic shift problem that augmented views of the same image may not share the same semantics, thus degrading the transfer performance. To address this problem, we propose a new SSL paradigm, which counteracts the impact of semantic shift by balancing the role of weak and aggressively augmented pairs. Specifically, semantically inconsistent pairs are of minority and we treat them as noisy pairs. Note that deep neural networks (DNNs) have a crucial memorization effect that DNNs tend to first memorize clean (majority) examples before overfitting to noisy (minority) examples. Therefore, we set a relatively large weight for aggressively augmented data pairs at the early learning stage. With the training going on, the model begins to overfit noisy pairs. Accordingly, we gradually reduce the weights of aggressively augmented pairs. In doing so, our method can better embrace the aggressive augmentations and neutralize the semantic shift problem. Experiments show that our model achieves 73.1% top-1 accuracy on ImageNet-1K with ResNet-50 for 200 epochs, which is a 2.5% improvement over BYOL. Moreover, experiments also demonstrate that the learned representations can transfer well for various downstream tasks.

Desirable Companion for Vertical Federated Learning: New Zeroth-Order Gradient Based Algorithm

Vertical federated learning (VFL) attracts increasing attention due to the emerging demands of multi-party collaborative modeling and concerns of privacy leakage. A complete list of metrics to evaluate VFL algorithms should include model applicability, privacy security, communication cost, and computation efficiency, where privacy security is especially important to VFL. However, to the best of our knowledge, there does not exist a VFL algorithm satisfying all these criteria very well. To address this challenging problem, in this paper, we reveal that zeroth-order optimization (ZOO) is a desirable companion for VFL. Specifically, ZOO can 1) improve the model applicability of VFL framework, 2) prevent VFL framework from privacy leakage under curious, colluding, and malicious threat models, 3) support inexpensive communication and efficient computation. Based on that, we propose a novel and practical VFL framework with black-box models, which is inseparably interconnected to the promising properties of ZOO. We believe that it takes one stride towards designing a practical VFL framework matching all the criteria. Under this framework, we raise two novel {\bf asy}nchronous ze{\bf r}oth-ord{\bf e}r algorithms for {\bf v}ertical f{\bf e}derated {\bf l}earning (AsyREVEL) with different smoothing techniques. We theoretically drive the convergence rates of AsyREVEL algorithms under nonconvex condition. More importantly, we prove the privacy security of our proposed framework under existing VFL attacks on different levels. Extensive experiments on benchmark datasets demonstrate the favorable model applicability, satisfied privacy security, inexpensive communication, efficient computation, scalability and losslessness of our framework.

Adaptive Hierarchical Similarity Metric Learning with Noisy Labels

Deep Metric Learning (DML) plays a critical role in various machine learning tasks. However, most existing deep metric learning methods with binary similarity are sensitive to noisy labels, which are widely present in real-world data. Since these noisy labels often cause severe performance degradation, it is crucial to enhance the robustness and generalization ability of DML. In this paper, we propose an Adaptive Hierarchical Similarity Metric Learning method. It considers two noise-insensitive information, \textit{i.e.}, class-wise divergence and sample-wise consistency. Specifically, class-wise divergence can effectively excavate richer similarity information beyond binary in modeling by taking advantage of Hyperbolic metric learning, while sample-wise consistency can further improve the generalization ability of the model using contrastive augmentation. More importantly, we design an adaptive strategy to integrate this information in a unified view. It is noteworthy that the new method can be extended to any pair-based metric loss. Extensive experimental results on benchmark datasets demonstrate that our method achieves state-of-the-art performance compared with current deep metric learning approaches.

Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

AsySQN: Faster Vertical Federated Learning Algorithms with Better Computation Resource Utilization

Vertical federated learning (VFL) is an effective paradigm of training the emerging cross-organizational (e.g., different corporations, companies and organizations) collaborative learning with privacy preserving. Stochastic gradient descent (SGD) methods are the popular choices for training VFL models because of the low per-iteration computation. However, existing SGD-based VFL algorithms are communication-expensive due to a large number of communication rounds. Meanwhile, most existing VFL algorithms use synchronous computation which seriously hamper the computation resource utilization in real-world applications. To address the challenges of communication and computation resource utilization, we propose an asynchronous stochastic quasi-Newton (AsySQN) framework for VFL, under which three algorithms, i.e. AsySQN-SGD, -SVRG and -SAGA, are proposed. The proposed AsySQN-type algorithms making descent steps scaled by approximate (without calculating the inverse Hessian matrix explicitly) Hessian information convergence much faster than SGD-based methods in practice and thus can dramatically reduce the number of communication rounds. Moreover, the adopted asynchronous computation can make better use of the computation resource. We theoretically prove the convergence rates of our proposed algorithms for strongly convex problems. Extensive numerical experiments on real-word datasets demonstrate the lower communication costs and better computation resource utilization of our algorithms compared with state-of-the-art VFL algorithms.

Group Contrastive Self-Supervised Learning on Graphs

We study self-supervised learning on graphs using contrastive methods. A general scheme of prior methods is to optimize two-view representations of input graphs. In many studies, a single graph-level representation is computed as one of the contrastive objectives, capturing limited characteristics of graphs. We argue that contrasting graphs in multiple subspaces enables graph encoders to capture more abundant characteristics. To this end, we propose a group contrastive learning framework in this work. Our framework embeds the given graph into multiple subspaces, of which each representation is prompted to encode specific characteristics of graphs. To learn diverse and informative representations, we develop principled objectives that enable us to capture the relations among both intra-space and inter-space representations in groups. Under the proposed framework, we further develop an attention-based representor function to compute representations that capture different substructures of a given graph. Built upon our framework, we extend two current methods into GroupCL and GroupIG, equipped with the proposed objective. Comprehensive experimental results show our framework achieves a promising boost in performance on a variety of datasets. In addition, our qualitative results show that features generated from our representor successfully capture various specific characteristics of graphs.

Domain-Smoothing Network for Zero-Shot Sketch-Based Image Retrieval

Zero-Shot Sketch-Based Image Retrieval (ZS-SBIR) is a novel cross-modal retrieval task, where abstract sketches are used as queries to retrieve natural images under zero-shot scenario. Most existing methods regard ZS-SBIR as a traditional classification problem and employ a cross-entropy or triplet-based loss to achieve retrieval, which neglect the problems of the domain gap between sketches and natural images and the large intra-class diversity in sketches. Toward this end, we propose a novel Domain-Smoothing Network (DSN) for ZS-SBIR. Specifically, a cross-modal contrastive method is proposed to learn generalized representations to smooth the domain gap by mining relations with additional augmented samples. Furthermore, a category-specific memory bank with sketch features is explored to reduce intra-class diversity in the sketch domain. Extensive experiments demonstrate that our approach notably outperforms the state-of-the-art methods in both Sketchy and TU-Berlin datasets. Our source code is publicly available at https://github.com/haowang1992/DSN.

Doubly Contrastive Deep Clustering

Deep clustering successfully provides more effective features than conventional ones and thus becomes an important technique in current unsupervised learning. However, most deep clustering methods ignore the vital positive and negative pairs introduced by data augmentation and further the significance of contrastive learning, which leads to suboptimal performance. In this paper, we present a novel Doubly Contrastive Deep Clustering (DCDC) framework, which constructs contrastive loss over both sample and class views to obtain more discriminative features and competitive results. Specifically, for the sample view, we set the class distribution of the original sample and its augmented version as positive sample pairs and set one of the other augmented samples as negative sample pairs. After that, we can adopt the sample-wise contrastive loss to pull positive sample pairs together and push negative sample pairs apart. Similarly, for the class view, we build the positive and negative pairs from the sample distribution of the class. In this way, two contrastive losses successfully constrain the clustering results of mini-batch samples in both sample and class level. Extensive experimental results on six benchmark datasets demonstrate the superiority of our proposed model against state-of-the-art methods. Particularly in the challenging dataset Tiny-ImageNet, our method leads 5.6\% against the latest comparison method. Our code will be available at \url{https://github.com/ZhiyuanDang/DCDC}.

Universal-Prototype Augmentation for Few-Shot Object Detection

Few-shot object detection (FSOD) aims to strengthen the performance of novel object detection with few labeled samples. To alleviate the constraint of few samples, enhancing the generalization ability of learned features for novel objects plays a key role. Thus, the feature learning process of FSOD should focus more on intrinsical object characteristics, which are invariant under different visual changes and therefore are helpful for feature generalization. Unlike previous attempts of the meta-learning paradigm, in this paper, we explore how to smooth object features with intrinsical characteristics that are universal across different object categories. We propose a new prototype, namely universal prototype, that is learned from all object categories. Besides the advantage of characterizing invariant characteristics, the universal prototypes alleviate the impact of unbalanced object categories. After augmenting object features with the universal prototypes, we impose a consistency loss to maximize the agreement between the augmented features and the original one, which is beneficial for learning invariant object characteristics. Thus, we develop a new framework of few-shot object detection with universal prototypes (${FSOD}^{up}$) that owns the merit of feature generalization towards novel objects. Experimental results on PASCAL VOC and MS COCO demonstrate the effectiveness of ${FSOD}^{up}$. Particularly, for the 1-shot case of VOC Split2, ${FSOD}^{up}$ outperforms the baseline by 6.8\% in terms of mAP. Moreover, we further verify ${FSOD}^{up}$ on a long-tail detection dataset, i.e., LVIS. And employing ${FSOD}^{up}$ outperforms the state-of-the-art method.