Contrastive Open-Set Active Learning-Based Sample Selection for Image Classification.

In this paper, we address a complex but practical scenario in Active Learning (AL) known as open-set AL, where the unlabeled data consists of both in-distribution (ID) and out-of-distribution (OOD) samples. Standard AL methods will fail in this scenario as OOD samples are highly likely to be regarded as uncertain samples, leading to their selection and wasting of the budget. Existing methods focus on selecting the highly likely ID samples, which tend to be easy and less informative. To this end, we introduce two criteria, namely contrastive confidence and historical divergence, which measure the possibility of being ID and the hardness of a sample, respectively. By balancing the two proposed criteria, highly informative ID samples can be selected as much as possible. Furthermore, unlike previous methods that require additional neural networks to detect the OOD samples, we propose a contrastive clustering framework that endows the classifier with the ability to identify the OOD samples and further enhances the network's representation learning. The experimental results demonstrate that the proposed method achieves state-of-the-art performance on several benchmark datasets.

Comprehensive Visual Question Answering on Point Clouds through Compositional Scene Manipulation.

Visual Question Answering on 3D Point Cloud (VQA-3D) is an emerging yet challenging field that aims at answering various types of textual questions given an entire point cloud scene. To tackle this problem, we propose the CLEVR3D, a large-scale VQA-3D dataset consisting of 171K questions from 8,771 3D scenes. Specifically, we develop a question engine leveraging 3D scene graph structures to generate diverse reasoning questions, covering the questions of objects' attributes (i.e., size, color, and material) and their spatial relationships. Through such a manner, we initially generated 44K questions from 1,333 real-world scenes. Moreover, a more challenging setup is proposed to remove the confounding bias and adjust the context from a common-sense layout. Such a setup requires the network to achieve comprehensive visual understanding when the 3D scene is different from the general co-occurrence context (e.g., chairs always exist with tables). To this end, we further introduce the compositional scene manipulation strategy and generate 127K questions from 7,438 augmented 3D scenes, which can improve VQA-3D models for real-world comprehension. Built upon the proposed dataset, we baseline several VQA-3D models, where experimental results verify that the CLEVR3D can significantly boost other 3D scene understanding tasks. Our code and dataset are publicly available at https://github.com/yanx27/CLEVR3D.

ECC-PolypDet: Enhanced CenterNet With Contrastive Learning for Automatic Polyp Detection.

Accurate polyp detection is critical for early colorectal cancer diagnosis. Although remarkable progress has been achieved in recent years, the complex colon environment and concealed polyps with unclear boundaries still pose severe challenges in this area. Existing methods either involve computationally expensive context aggregation or lack prior modeling of polyps, resulting in poor performance in challenging cases. In this paper, we propose the Enhanced CenterNet with Contrastive Learning (ECC-PolypDet), a two-stage training & end-to-end inference framework that leverages images and bounding box annotations to train a general model and fine-tune it based on the inference score to obtain a final robust model. Specifically, we conduct Box-assisted Contrastive Learning (BCL) during training to minimize the intra-class difference and maximize the inter-class difference between foreground polyps and backgrounds, enabling our model to capture concealed polyps. Moreover, to enhance the recognition of small polyps, we design the Semantic Flow-guided Feature Pyramid Network (SFFPN) to aggregate multi-scale features and the Heatmap Propagation (HP) module to boost the model's attention on polyp targets. In the fine-tuning stage, we introduce the IoU-guided Sample Re-weighting (ISR) mechanism to prioritize hard samples by adaptively adjusting the loss weight for each sample during fine-tuning. Extensive experiments on six large-scale colonoscopy datasets demonstrate the superiority of our model compared with previous state-of-the-art detectors.

NG-NAS: Node growth neural architecture search for 3D medical image segmentation.

Neural architecture search (NAS) has been applied to design proper 3D networks for medical image segmentation. In order to reduce the computation cost in NAS, researchers tend to adopt weight sharing mechanism to search architectures in a supernet. However, recent studies state that the searched architecture rankings may not be accurate with weight sharing mechanism because the training situations are inconsistent between the searching and training phases. In addition, some NAS algorithms design inflexible supernets that only search operators in a pre-defined backbone and ignore the importance of network topology, which limits the performance of searched architecture. To avoid weight sharing mechanism which may lead to inaccurate results and to comprehensively search network topology and operators, we propose a novel NAS algorithm called NG-NAS. Following the previous studies, we consider the segmentation network as a U-shape structure composed of a set of nodes. Instead of searching from the supernet with a limited search space, our NG-NAS starts from a simple architecture with only 5 nodes, and greedily grows the best candidate node until meeting the constraint. We design 2 kinds of node generations to form various network topological structures and prepare 4 candidate operators for each node. To efficiently evaluate candidate node generations, we use NAS without training strategies. We evaluate our method on several public 3D medical image segmentation benchmarks and achieve state-of-the-art performance, demonstrating the effectiveness of the searched architecture and our NG-NAS. Concretely, our method achieves an average Dice score of 85.11 on MSD liver, 65.70 on MSD brain, and 87.59 in BTCV, which performs much better than the previous SOTA methods.

Hierarchical Weight Averaging for Deep Neural Networks.

Despite simplicity, stochastic gradient descent (SGD)-like algorithms are successful in training deep neural networks (DNNs). Among various attempts to improve SGD, weight averaging (WA), which averages the weights of multiple models, has recently received much attention in the literature. Broadly, WA falls into two categories: 1) online WA, which averages the weights of multiple models trained in parallel, is designed for reducing the gradient communication overhead of parallel mini-batch SGD and 2) offline WA, which averages the weights of one model at different checkpoints, is typically used to improve the generalization ability of DNNs. Though online and offline WA are similar in form, they are seldom associated with each other. Besides, these methods typically perform either offline parameter averaging or online parameter averaging, but not both. In this work, we first attempt to incorporate online and offline WA into a general training framework termed hierarchical WA (HWA). By leveraging both the online and offline averaging manners, HWA is able to achieve both faster convergence speed and superior generalization performance without any fancy learning rate adjustment. Besides, we also analyze the issues faced by the existing WA methods, and how our HWA addresses them, empirically. Finally, extensive experiments verify that HWA outperforms the state-of-the-art methods significantly.

Prior knowledge facilitates low homologous protein secondary structure prediction with DSM distillation.

MOTIVATION: Protein secondary structure prediction (PSSP) is one of the fundamental and challenging problems in the field of computational biology. Accurate PSSP relies on sufficient homologous protein sequences to build the multiple sequence alignment (MSA). Unfortunately, many proteins lack homologous sequences, which results in the low quality of MSA and poor performance. In this article, we propose the novel dynamic scoring matrix (DSM)-Distil to tackle this issue, which takes advantage of the pretrained BERT and exploits the knowledge distillation on the newly designed DSM features. Specifically, we propose the DSM to replace the widely used profile and PSSM (position-specific scoring matrix) features. DSM could automatically dig for the suitable feature for each residue, based on the original profile. Namely, DSM-Distil not only could adapt to the low homologous proteins but also is compatible with high homologous ones. Thanks to the dynamic property, DSM could adapt to the input data much better and achieve higher performance. Moreover, to compensate for low-quality MSA, we propose to generate the pseudo-DSM from a pretrained BERT model and aggregate it with the original DSM by adaptive residue-wise fusion, which helps to build richer and more complete input features. In addition, we propose to supervise the learning of low-quality DSM features using high-quality ones. To achieve this, a novel teacher-student model is designed to distill the knowledge from proteins with high homologous sequences to that of low ones. Combining all the proposed methods, our model achieves the new state-of-the-art performance for low homologous proteins. RESULTS: Compared with the previous state-of-the-art method 'Bagging', DSM-Distil achieves an improvement about 5% and 7.3% improvement for proteins with MSA count ≤30 and extremely low homologous cases, respectively. We also compare DSM-Distil with Alphafold2 which is a state-of-the-art framework for protein structure prediction. DSM-Distil outperforms Alphafold2 by 4.1% on extremely low-quality MSA on 8-state secondary structure prediction. Moreover, we release a large-scale up-to-date test dataset BC40 for low-quality MSA structure prediction evaluation. AVAILABILITY AND IMPLEMENTATION: BC40 dataset: https://drive.google.com/drive/folders/15vwRoOjAkhhwfjDk6-YoKGf4JzZXIMC. HardCase dataset: https://drive.google.com/drive/folders/1BvduOr2b7cObUHy6GuEWk-aUkKJgzTUv. Code: https://github.com/qinwang-ai/DSM-Distil.

PointSite: A Point Cloud Segmentation Tool for Identification of Protein Ligand Binding Atoms.

Accurate identification of ligand binding sites (LBS) on a protein structure is critical for understanding protein function and designing structure-based drugs. As the previous pocket-centric methods are usually based on the investigation of pseudo-surface-points outside the protein structure, they cannot fully take advantage of the local connectivity of atoms within the protein, as well as the global 3D geometrical information from all the protein atoms. In this paper, we propose a novel point clouds segmentation method, PointSite, for accurate identification of protein ligand binding atoms, which performs protein LBS identification at the atom-level in a protein-centric manner. Specifically, we first transfer the original 3D protein structure to point clouds and then conduct segmentation through Submanifold Sparse Convolution based U-Net. With the fine-grained atom-level binding atoms representation and enhanced feature learning, PointSite can outperform previous methods in atom Intersection over Union (atom-IoU) by a large margin. Furthermore, our segmented binding atoms, that is, atoms with high probability predicted by our model can work as a filter on predictions achieved by previous pocket-centric approaches, which significantly decreases the false-positive of LBS candidates. Besides, we further directly extend PointSite trained on bound proteins for LBS identification on unbound proteins, which demonstrates the superior generalization capacity of PointSite. Through cascaded filter and reranking aided by the segmented atoms, state-of-the-art performance can be achieved over various canonical benchmarks, CAMEO hard targets, and unbound proteins in terms of the commonly used DCA criteria.

Task-Aware Sampling Layer for Point-Wise Analysis.

Sampling, grouping, and aggregation are three important components in the multi-scale analysis of point clouds. In this paper, we present a novel data-driven sampler learning strategy for point-wise analysis tasks. Unlike the widely used sampling technique, Farthest Point Sampling (FPS), we propose to learn sampling and downstream applications jointly. Our key insight is that uniform sampling methods like FPS are not always optimal for different tasks: sampling more points around boundary areas can make the point-wise classification easier for segmentation. Towards this end, we propose a novel sampler learning strategy that learns sampling point displacement supervised by task-related ground truth information and can be trained jointly with the underlying tasks. We further demonstrate our methods in various point-wise analysis tasks, including semantic part segmentation, point cloud completion, and keypoint detection. Our experiments show that jointly learning of the sampler and task brings better performance than using FPS in various point-based networks.

SAniHead: Sketching Animal-Like 3D Character Heads Using a View-Surface Collaborative Mesh Generative Network.

In the game and film industries, modeling 3D heads plays a very important role in designing characters. Although human head modeling has been researched for a long time, few works have focused on animal-like heads, which are of more diverse shapes and richer geometric details. In this article, we present SAniHead, an interactive system for creating animal-like heads with a mesh representation from dual-view sketches. Our core technical contribution is a view-surface collaborative mesh generative network. Initially, a graph convolutional neural network (GCNN) is trained to learn the deformation of a template mesh to fit the shape of sketches, giving rise to a coarse model. It is then projected into vertex maps where image-to-image translation networks are performed for detail inference. After back-projecting the inferred details onto the meshed surface, a new GCNN is trained for further detail refinement. The modules of view-based detail inference and surface-based detail refinement are conducted in an alternating cascaded fashion, collaboratively improving the model. A refinement sketching interface is also implemented to support direct mesh manipulation. Experimental results show the superiority of our approach and the usability of our interactive system. Our work also contributes a 3D animal head dataset with corresponding line drawings.

Medical-VLBERT: Medical Visual Language BERT for COVID-19 CT Report Generation With Alternate Learning.

Medical imaging technologies, including computed tomography (CT) or chest X-Ray (CXR), are largely employed to facilitate the diagnosis of the COVID-19. Since manual report writing is usually too time-consuming, a more intelligent auxiliary medical system that could generate medical reports automatically and immediately is urgently needed. In this article, we propose to use the medical visual language BERT (Medical-VLBERT) model to identify the abnormality on the COVID-19 scans and generate the medical report automatically based on the detected lesion regions. To produce more accurate medical reports and minimize the visual-and-linguistic differences, this model adopts an alternate learning strategy with two procedures that are knowledge pretraining and transferring. To be more precise, the knowledge pretraining procedure is to memorize the knowledge from medical texts, while the transferring procedure is to utilize the acquired knowledge for professional medical sentences generations through observations of medical images. In practice, for automatic medical report generation on the COVID-19 cases, we constructed a dataset of 368 medical findings in Chinese and 1104 chest CT scans from The First Affiliated Hospital of Jinan University, Guangzhou, China, and The Fifth Affiliated Hospital of Sun Yat-sen University, Zhuhai, China. Besides, to alleviate the insufficiency of the COVID-19 training samples, our model was first trained on the large-scale Chinese CX-CHR dataset and then transferred to the COVID-19 CT dataset for further fine-tuning. The experimental results showed that Medical-VLBERT achieved state-of-the-art performances on terminology prediction and report generation with the Chinese COVID-19 CT dataset and the CX-CHR dataset. The Chinese COVID-19 CT dataset is available at https://covid19ct.github.io/.

Communication-efficient federated learning.

Federated learning (FL) enables edge devices, such as Internet of Things devices (e.g., sensors), servers, and institutions (e.g., hospitals), to collaboratively train a machine learning (ML) model without sharing their private data. FL requires devices to exchange their ML parameters iteratively, and thus the time it requires to jointly learn a reliable model depends not only on the number of training steps but also on the ML parameter transmission time per step. In practice, FL parameter transmissions are often carried out by a multitude of participating devices over resource-limited communication networks, for example, wireless networks with limited bandwidth and power. Therefore, the repeated FL parameter transmission from edge devices induces a notable delay, which can be larger than the ML model training time by orders of magnitude. Hence, communication delay constitutes a major bottleneck in FL. Here, a communication-efficient FL framework is proposed to jointly improve the FL convergence time and the training loss. In this framework, a probabilistic device selection scheme is designed such that the devices that can significantly improve the convergence speed and training loss have higher probabilities of being selected for ML model transmission. To further reduce the FL convergence time, a quantization method is proposed to reduce the volume of the model parameters exchanged among devices, and an efficient wireless resource allocation scheme is developed. Simulation results show that the proposed FL framework can improve the identification accuracy and convergence time by up to 3.6% and 87% compared to standard FL.

Hypergraph Spectral Analysis and Processing in 3D Point Cloud.

Along with increasingly popular virtual reality applications, the three-dimensional (3D) point cloud has become a fundamental data structure to characterize 3D objects and surroundings. To process 3D point clouds efficiently, a suitable model for the underlying structure and outlier noises is always critical. In this work, we propose a hypergraph-based new point cloud model that is amenable to efficient analysis and processing. We introduce tensor-based methods to estimate hypergraph spectrum components and frequency coefficients of point clouds in both ideal and noisy settings. We establish an analytical connection between hypergraph frequencies and structural features. We further evaluate the efficacy of hypergraph spectrum estimation in two common applications of sampling and denoising of point clouds for which we provide specific hypergraph filter design and spectral properties. Experimental results demonstrate the strength of hypergraph signal processing as a tool in characterizing the underlying properties of 3D point clouds.

CaricatureShop: Personalized and Photorealistic Caricature Sketching.

In this paper, we propose the first sketching system for interactively personalized and photorealistic face caricaturing. Input an image of a human face, the users can create caricature photos by manipulating its facial feature curves. Our system first performs exaggeration on the recovered 3D face model, which is conducted by assigning the laplacian of each vertex a scaling factor according to the edited sketches. The mapping between 2D sketches and the vertex-wise scaling field is constructed by a novel deep learning architecture. Our approach allows outputting different exaggerations when applying the same sketching on different input figures in term of their different geometric characteristics, which makes the generated results "personalized". With the obtained 3D caricature model, two images are generated, one obtained by applying 2D warping guided by the underlying 3D mesh deformation and the other obtained by re-rendering the deformed 3D textured model. These two images are then seamlessly integrated to produce our final output. Due to the severe stretching of meshes, the rendered texture is of blurry appearances. A deep learning approach is exploited to infer the missing details for enhancing these blurry regions. Moreover, a relighting operation is invented to further improve the photorealism of the result. These further make our results "photorealistic". The qualitative experiment results validated the efficiency of our sketching system.

Feature selection with interactions in logistic regression models using multivariate synergies for a GWAS application.

BACKGROUND: Genotype-phenotype association has been one of the long-standing problems in bioinformatics. Identifying both the marginal and epistatic effects among genetic markers, such as Single Nucleotide Polymorphisms (SNPs), has been extensively integrated in Genome-Wide Association Studies (GWAS) to help derive "causal" genetic risk factors and their interactions, which play critical roles in life and disease systems. Identifying "synergistic" interactions with respect to the outcome of interest can help accurate phenotypic prediction and understand the underlying mechanism of system behavior. Many statistical measures for estimating synergistic interactions have been proposed in the literature for such a purpose. However, except for empirical performance, there is still no theoretical analysis on the power and limitation of these synergistic interaction measures. RESULTS: In this paper, it is shown that the existing information-theoretic multivariate synergy depends on a small subset of the interaction parameters in the model, sometimes on only one interaction parameter. In addition, an adjusted version of multivariate synergy is proposed as a new measure to estimate the interactive effects, with experiments conducted over both simulated data sets and a real-world GWAS data set to show the effectiveness. CONCLUSIONS: We provide rigorous theoretical analysis and empirical evidence on why the information-theoretic multivariate synergy helps with identifying genetic risk factors via synergistic interactions. We further establish the rigorous sample complexity analysis on detecting interactive effects, confirmed by both simulated and real-world data sets.