arXiv subjects

Jiangbin Zheng

Publications and source records attributed to Jiangbin Zheng.

33 records · Page 2Linked to original sources

arXiv2024

Advances of Deep Learning in Protein Science: A Comprehensive Survey

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a powerful tool for protein modeling due to its ability to learn complex patterns and representations from large-scale protein data. This comprehensive survey aims to provide an overview of the recent advances in deep learning techniques applied to protein science. The survey begins by introducing the developments of deep learning based protein models and emphasizes the importance of protein representation learning in drug discovery, protein engineering, and function annotation. It then delves into the fundamentals of deep learning, including convolutional neural networks, recurrent neural networks, attention models, and graph neural networks in modeling protein sequences, structures, and functions, and explores how these techniques can be used to extract meaningful features and capture intricate relationships within protein data. Next, the survey presents various applications of deep learning in the field of proteins, including protein structure prediction, protein-protein interaction prediction, protein function prediction, etc. Furthermore, it highlights the challenges and limitations of these deep learning techniques and also discusses potential solutions and future directions for overcoming these challenges. This comprehensive survey provides a valuable resource for researchers and practitioners in the field of proteins who are interested in harnessing the power of deep learning techniques. By consolidating the latest advancements and discussing potential avenues for improvement, this review contributes to the ongoing progress in protein research and paves the way for future breakthroughs in the field.

q-bio.BM↗

arXiv2024

Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer

Antibodies are crucial proteins produced by the immune system in response to foreign substances or antigens. The specificity of an antibody is determined by its complementarity-determining regions (CDRs), which are located in the variable domains of the antibody chains and form the antigen-binding site. Previous studies have utilized complex techniques to generate CDRs, but they suffer from inadequate geometric modeling. Moreover, the common iterative refinement strategies lead to an inefficient inference. In this paper, we propose a \textit{simple yet effective} model that can co-design 1D sequences and 3D structures of CDRs in a one-shot manner. To achieve this, we decouple the antibody CDR design problem into two stages: (i) geometric modeling of protein complex structures and (ii) sequence-structure co-learning. We develop a novel macromolecular structure invariant embedding, typically for protein complexes, that captures both intra- and inter-component interactions among the backbone atoms, including C$α$, N, C, and O atoms, to achieve comprehensive geometric modeling. Then, we introduce a simple cross-gate MLP for sequence-structure co-learning, allowing sequence and structure representations to implicitly refine each other. This enables our model to design desired sequences and structures in a one-shot manner. Extensive experiments are conducted to evaluate our results at both the sequence and structure levels, which demonstrate that our model achieves superior performance compared to the state-of-the-art antibody CDR design methods.

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arXiv2024

Graph-level Protein Representation Learning by Structure Knowledge Refinement

This paper focuses on learning representation on the whole graph level in an unsupervised manner. Learning graph-level representation plays an important role in a variety of real-world issues such as molecule property prediction, protein structure feature extraction, and social network analysis. The mainstream method is utilizing contrastive learning to facilitate graph feature extraction, known as Graph Contrastive Learning (GCL). GCL, although effective, suffers from some complications in contrastive learning, such as the effect of false negative pairs. Moreover, augmentation strategies in GCL are weakly adaptive to diverse graph datasets. Motivated by these problems, we propose a novel framework called Structure Knowledge Refinement (SKR) which uses data structure to determine the probability of whether a pair is positive or negative. Meanwhile, we propose an augmentation strategy that naturally preserves the semantic meaning of the original data and is compatible with our SKR framework. Furthermore, we illustrate the effectiveness of our SKR framework through intuition and experiments. The experimental results on the tasks of graph-level classification demonstrate that our SKR framework is superior to most state-of-the-art baselines.

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arXiv2023

Protein 3D Graph Structure Learning for Robust Structure-based Protein Property Prediction

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein structure data and fail in scenarios where these data are unavailable. Predicted protein structures from AI tools (e.g., AlphaFold2) were utilized as alternatives. However, we observed that current practices, which simply employ accurately predicted structures during inference, suffer from notable degradation in prediction accuracy. While similar phenomena have been extensively studied in general fields (e.g., Computer Vision) as model robustness, their impact on protein property prediction remains unexplored. In this paper, we first investigate the reason behind the performance decrease when utilizing predicted structures, attributing it to the structure embedding bias from the perspective of structure representation learning. To study this problem, we identify a Protein 3D Graph Structure Learning Problem for Robust Protein Property Prediction (PGSL-RP3), collect benchmark datasets, and present a protein Structure embedding Alignment Optimization framework (SAO) to mitigate the problem of structure embedding bias between the predicted and experimental protein structures. Extensive experiments have shown that our framework is model-agnostic and effective in improving the property prediction of both predicted structures and experimental structures. The benchmark datasets and codes will be released to benefit the community.

cs.LG↗

arXiv2023

Co-modeling the Sequential and Graphical Routes for Peptide Representation Learning

Peptides are formed by the dehydration condensation of multiple amino acids. The primary structure of a peptide can be represented either as an amino acid sequence or as a molecular graph consisting of atoms and chemical bonds. Previous studies have indicated that deep learning routes specific to sequential and graphical peptide forms exhibit comparable performance on downstream tasks. Despite the fact that these models learn representations of the same modality of peptides, we find that they explain their predictions differently. Considering sequential and graphical models as two experts making inferences from different perspectives, we work on fusing expert knowledge to enrich the learned representations for improving the discriminative performance. To achieve this, we propose a peptide co-modeling method, RepCon, which employs a contrastive learning-based framework to enhance the mutual information of representations from decoupled sequential and graphical end-to-end models. It considers representations from the sequential encoder and the graphical encoder for the same peptide sample as a positive pair and learns to enhance the consistency of representations between positive sample pairs and to repel representations between negative pairs. Empirical studies of RepCon and other co-modeling methods are conducted on open-source discriminative datasets, including aggregation propensity, retention time, antimicrobial peptide prediction, and family classification from Peptide Database. Our results demonstrate the superiority of the co-modeling approach over independent modeling, as well as the superiority of RepCon over other methods under the co-modeling framework. In addition, the attribution on RepCon further corroborates the validity of the approach at the level of model explanation.

cs.LG↗

arXiv2023

CVT-SLR: Contrastive Visual-Textual Transformation for Sign Language Recognition with Variational Alignment

Sign language recognition (SLR) is a weakly supervised task that annotates sign videos as textual glosses. Recent studies show that insufficient training caused by the lack of large-scale available sign datasets becomes the main bottleneck for SLR. Most SLR works thereby adopt pretrained visual modules and develop two mainstream solutions. The multi-stream architectures extend multi-cue visual features, yielding the current SOTA performances but requiring complex designs and might introduce potential noise. Alternatively, the advanced single-cue SLR frameworks using explicit cross-modal alignment between visual and textual modalities are simple and effective, potentially competitive with the multi-cue framework. In this work, we propose a novel contrastive visual-textual transformation for SLR, CVT-SLR, to fully explore the pretrained knowledge of both the visual and language modalities. Based on the single-cue cross-modal alignment framework, we propose a variational autoencoder (VAE) for pretrained contextual knowledge while introducing the complete pretrained language module. The VAE implicitly aligns visual and textual modalities while benefiting from pretrained contextual knowledge as the traditional contextual module. Meanwhile, a contrastive cross-modal alignment algorithm is designed to explicitly enhance the consistency constraints. Extensive experiments on public datasets (PHOENIX-2014 and PHOENIX-2014T) demonstrate that our proposed CVT-SLR consistently outperforms existing single-cue methods and even outperforms SOTA multi-cue methods.

cs.CV↗

arXiv2023

Using Context-to-Vector with Graph Retrofitting to Improve Word Embeddings

Although contextualized embeddings generated from large-scale pre-trained models perform well in many tasks, traditional static embeddings (e.g., Skip-gram, Word2Vec) still play an important role in low-resource and lightweight settings due to their low computational cost, ease of deployment, and stability. In this paper, we aim to improve word embeddings by 1) incorporating more contextual information from existing pre-trained models into the Skip-gram framework, which we call Context-to-Vec; 2) proposing a post-processing retrofitting method for static embeddings independent of training by employing priori synonym knowledge and weighted vector distribution. Through extrinsic and intrinsic tasks, our methods are well proven to outperform the baselines by a large margin.

cs.CL↗

arXiv2023

Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy

Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is more informative has become a promising research topic. However, there are three major challenges facing protein structure pretraining: insufficient sample diversity, physically unrealistic modeling, and the lack of protein-specific pretext tasks. To try to address these challenges, we present the 3D Geometric Pretraining. In this paper, we propose a unified framework for protein pretraining and a 3D geometric-based, data-efficient, and protein-specific pretext task: RefineDiff (Refine the Diffused Protein Structure Decoy). After pretraining our geometric-aware model with this task on limited data(less than 1% of SOTA models), we obtained informative protein representations that can achieve comparable performance for various downstream tasks.

cs.LG↗

arXiv2022

Protein Language Models and Structure Prediction: Connection and Progression

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the protein sequence databases, which inherit the advantages of attention networks and capture useful information in learning representations for proteins. The past two years have witnessed remarkable success in tertiary protein structure prediction (PSP), including evolution-based and single-sequence-based PSP. It seems that instead of using energy-based models and sampling procedures, protein language model (pLM)-based pipelines have emerged as mainstream paradigms in PSP. Despite the fruitful progress, the PSP community needs a systematic and up-to-date survey to help bridge the gap between LMs in the natural language processing (NLP) and PSP domains and introduce their methodologies, advancements and practical applications. To this end, in this paper, we first introduce the similarities between protein and human languages that allow LMs extended to pLMs, and applied to protein databases. Then, we systematically review recent advances in LMs and pLMs from the perspectives of network architectures, pre-training strategies, applications, and commonly-used protein databases. Next, different types of methods for PSP are discussed, particularly how the pLM-based architectures function in the process of protein folding. Finally, we identify challenges faced by the PSP community and foresee promising research directions along with the advances of pLMs. This survey aims to be a hands-on guide for researchers to understand PSP methods, develop pLMs and tackle challenging problems in this field for practical purposes.

q-bio.QM↗

arXiv2022

Leveraging Graph-based Cross-modal Information Fusion for Neural Sign Language Translation

Sign Language (SL), as the mother tongue of the deaf community, is a special visual language that most hearing people cannot understand. In recent years, neural Sign Language Translation (SLT), as a possible way for bridging communication gap between the deaf and the hearing people, has attracted widespread academic attention. We found that the current mainstream end-to-end neural SLT models, which tries to learning language knowledge in a weakly supervised manner, could not mine enough semantic information under the condition of low data resources. Therefore, we propose to introduce additional word-level semantic knowledge of sign language linguistics to assist in improving current end-to-end neural SLT models. Concretely, we propose a novel neural SLT model with multi-modal feature fusion based on the dynamic graph, in which the cross-modal information, i.e. text and video, is first assembled as a dynamic graph according to their correlation, and then the graph is processed by a multi-modal graph encoder to generate the multi-modal embeddings for further usage in the subsequent neural translation models. To the best of our knowledge, we are the first to introduce graph neural networks, for fusing multi-modal information, into neural sign language translation models. Moreover, we conducted experiments on a publicly available popular SLT dataset RWTH-PHOENIX-Weather-2014T. and the quantitative experiments show that our method can improve the model.

cs.CL↗

arXiv2022

A Survey on Masked Facial Detection Methods and Datasets for Fighting Against COVID-19

Coronavirus disease 2019 (COVID-19) continues to pose a great challenge to the world since its outbreak. To fight against the disease, a series of artificial intelligence (AI) techniques are developed and applied to real-world scenarios such as safety monitoring, disease diagnosis, infection risk assessment, lesion segmentation of COVID-19 CT scans,etc. The coronavirus epidemics have forced people wear masks to counteract the transmission of virus, which also brings difficulties to monitor large groups of people wearing masks. In this paper, we primarily focus on the AI techniques of masked facial detection and related datasets. We survey the recent advances, beginning with the descriptions of masked facial detection datasets. Thirteen available datasets are described and discussed in details. Then, the methods are roughly categorized into two classes: conventional methods and neural network-based methods. Conventional methods are usually trained by boosting algorithms with hand-crafted features, which accounts for a small proportion. Neural network-based methods are further classified as three parts according to the number of processing stages. Representative algorithms are described in detail, coupled with some typical techniques that are described briefly. Finally, we summarize the recent benchmarking results, give the discussions on the limitations of datasets and methods, and expand future research directions. To our knowledge, this is the first survey about masked facial detection methods and datasets. Hopefully our survey could provide some help to fight against epidemics.

cs.CV↗

arXiv2020

Fuzzy SLIC: Fuzzy Simple Linear Iterative Clustering

Most superpixel methods are sensitive to noise and cannot control the superpixel number precisely. To solve these problems, in this paper, we propose a robust superpixel method called fuzzy simple linear iterative clustering (Fuzzy SLIC), which adopts a local spatial fuzzy C-means clustering and dynamic fuzzy superpixels. We develop a fast and precise superpixel number control algorithm called onion peeling (OP) algorithm. Fuzzy SLIC is insensitive to most types of noise, including Gaussian, salt and pepper, and multiplicative noise. The OP algorithm can control the superpixel number accurately without reducing much computational efficiency. In the validation experiments, we tested the Fuzzy SLIC and OP algorithm and compared them with state-of-the-art methods on the BSD500 and Pascal VOC2007 benchmarks. The experiment results show that our methods outperform state-of-the-art techniques in both noise-free and noisy environments.

eess.IV↗

arXiv2020

SparseFusion: Dynamic Human Avatar Modeling from Sparse RGBD Images

In this paper, we propose a novel approach to reconstruct 3D human body shapes based on a sparse set of RGBD frames using a single RGBD camera. We specifically focus on the realistic settings where human subjects move freely during the capture. The main challenge is how to robustly fuse these sparse frames into a canonical 3D model, under pose changes and surface occlusions. This is addressed by our new framework consisting of the following steps. First, based on a generative human template, for every two frames having sufficient overlap, an initial pairwise alignment is performed; It is followed by a global non-rigid registration procedure, in which partial results from RGBD frames are collected into a unified 3D shape, under the guidance of correspondences from the pairwise alignment; Finally, the texture map of the reconstructed human model is optimized to deliver a clear and spatially consistent texture. Empirical evaluations on synthetic and real datasets demonstrate both quantitatively and qualitatively the superior performance of our framework in reconstructing complete 3D human models with high fidelity. It is worth noting that our framework is flexible, with potential applications going beyond shape reconstruction. As an example, we showcase its use in reshaping and reposing to a new avatar.

cs.CV↗

arXiv2019

Detailed Surface Geometry and Albedo Recovery from RGB-D Video Under Natural Illumination

In this paper we present a novel approach for depth map enhancement from an RGB-D video sequence. The basic idea is to exploit the shading information in the color image. Instead of making assumption about surface albedo or controlled object motion and lighting, we use the lighting variations introduced by casual object movement. We are effectively calculating photometric stereo from a moving object under natural illuminations. The key technical challenge is to establish correspondences over the entire image set. We therefore develop a lighting insensitive robust pixel matching technique that out-performs optical flow method in presence of lighting variations. In addition we present an expectation-maximization framework to recover the surface normal and albedo simultaneously, without any regularization term. We have validated our method on both synthetic and real datasets to show its superior performance on both surface details recovery and intrinsic decomposition.

cs.CV↗

arXiv2018

Beyond Context: Exploring Semantic Similarity for Tiny Face Detection

Tiny face detection aims to find faces with high degrees of variability in scale, resolution and occlusion in cluttered scenes. Due to the very little information available on tiny faces, it is not sufficient to detect them merely based on the information presented inside the tiny bounding boxes or their context. In this paper, we propose to exploit the semantic similarity among all predicted targets in each image to boost current face detectors. To this end, we present a novel framework to model semantic similarity as pairwise constraints within the metric learning scheme, and then refine our predictions with the semantic similarity by utilizing the graph cut techniques. Experiments conducted on three widely-used benchmark datasets have demonstrated the improvement over the-state-of-the-arts gained by applying this idea.

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