Protein function prediction is critical for understanding the cellular physiological and biochemical processes, and it opens up new possibilities for advancements in fields such as disease research and drug discovery. During the past decades, with the exponential growth of protein sequence data, many computational methods for predicting protein function have been proposed. Therefore, a systematic review and comparison of these methods are necessary. In this study, we divide these methods into four different categories, including sequence-based methods, 3D structure-based methods, PPI network-based methods and hybrid information-based methods. Furthermore, their advantages and disadvantages are discussed, and then their performance is comprehensively evaluated and compared. Finally, we discuss the challenges and opportunities present in this field.

As the most common complication of diabetes, diabetic retinopathy (DR) is one of the main causes of irreversible blindness. Automatic DR grading plays a crucial role in early diagnosis and intervention, reducing the risk of vision loss in people with diabetes. In these years, various deep-learning approaches for DR grading have been proposed. Most previous DR grading models are trained using the dataset of single-field fundus images, but the entire retina cannot be fully visualized in a single field of view. There are also problems of scattered location and great differences in the appearance of lesions in fundus images. To address the limitations caused by incomplete fundus features, and the difficulty in obtaining lesion information. This work introduces a novel multi-view DR grading framework, which solves the problem of incomplete fundus features by jointly learning fundus images from multiple fields of view. Furthermore, the proposed model combines multi-view inputs such as fundus images and lesion snapshots. It utilizes heterogeneous convolution blocks (HCB) and scalable self-attention classes (SSAC), which enhance the ability of the model to obtain lesion information. The experimental results show that our proposed method performs better than the benchmark methods on the large-scale dataset.

In this paper, we study the problem of privacy-preserving data synthesis (PPDS) for tabular data in a distributed multi-party environment. In a decentralized setting, for PPDS, federated generative models with differential privacy are used by the existing methods. Unfortunately, the existing models apply only to images or text data and not to tabular data. Unlike images, tabular data usually consist of mixed data types (discrete and continuous attributes) and real-world datasets with highly imbalanced data distributions. Existing methods hardly model such scenarios due to the multimodal distributions in the decentralized continuous columns and highly imbalanced categorical attributes of the clients. To solve these problems, we propose a federated generative model for decentralized tabular data synthesis (HT-Fed-GAN). There are three important parts of HT-Fed-GAN: the federated variational Bayesian Gaussian mixture model (Fed-VB-GMM), which is designed to solve the problem of multimodal distributions; federated conditional one-hot encoding with conditional sampling for global categorical attribute representation and rebalancing; and a privacy consumption-based federated conditional GAN for privacy-preserving decentralized data modeling. The experimental results on five real-world datasets show that HT-Fed-GAN obtains the best trade-off between the data utility and privacy level. For the data utility, the tables generated by HT-Fed-GAN are the most statistically similar to the original tables and the evaluation scores show that HT-Fed-GAN outperforms the state-of-the-art model in terms of machine learning tasks.

Functional peptides are short amino acid fragments that have a wide range of beneficial functions for living organisms. The majority of previous studies have focused on mono-functional peptides, but an increasing number of multi-functional peptides have been discovered. Although there have been enormous experimental efforts to assay multi-functional peptides, only a small portion of millions of known peptides has been explored. The development of effective and accurate techniques for identifying multi-functional peptides can facilitate their discovery and mechanistic understanding. In this study, we presented iMFP-LG, a method for multi-functional peptide identification based on protein language models (pLMs) and graph attention networks (GATs). Our comparative analyses demonstrated that iMFP-LG outperformed the state-of-the-art methods in identifying both multi-functional bioactive peptides and multi-functional therapeutic peptides. The interpretability of iMFP-LG was also illustrated by visualizing attention patterns in pLMs and GATs. Regarding the outstanding performance of iMFP-LG on the identification of multi-functional peptides, we employed iMFP-LG to screen novel peptides with both anti-microbial and anti-cancer functions from millions of known peptides in the UniRef90 database. As a result, eight candidate peptides were identified, among which one candidate was validated to process both anti-bacterial and anti-cancer properties through molecular structure alignment and biological experiments. We anticipate that iMFP-LG can assist in the discovery of multi-functional peptides and contribute to the advancement of peptide drug design.

Diabetic retinopathy (DR) is the main cause of irreversible blindness for working-age adults. The previous models for DR detection have difficulties in clinical application. The main reason is that most of the previous methods only use single-view data, and the single field of view (FOV) only accounts for about 13% of the FOV of the retina, resulting in the loss of most lesion features. To alleviate this problem, we propose a multi-view model for DR detection, which takes full advantage of multi-view images covering almost all of the retinal field. To be specific, we design a Cross-Interaction Self-Attention based Module (CISAM) that interfuses local features extracted from convolutional blocks with long-range global features learned from transformer blocks. Furthermore, considering the pathological association in different views, we use the feature jigsaw to assemble and learn the features of multiple views. Extensive experiments on the latest public multi-view MFIDDR dataset with 34,452 images demonstrate the superiority of our method, which performs favorably against state-of-the-art models. To the best of our knowledge, this work is the first study on the public large-scale multi-view fundus images dataset for DR detection.

A massive amount of protein sequences have been obtained, but their functions remain challenging to discern. In recent research on protein function prediction, Protein-Protein Interaction (PPI) Networks have played a crucial role. Uncovering potential function relationships between distant proteins within PPI networks is essential for improving the accuracy of protein function prediction. Most current studies attempt to capture these distant relationships by stacking graph network layers, but performance gains diminish as the number of layers increases. To further explore the potential functional relationships between multi-hop proteins in PPI networks, this paper proposes SEGT-GO, a Graph Transformer method based on PPI multi-hop neighborhood Serialization and Explainable artificial intelligence for large-scale multispecies protein function prediction. The multi-hop neighborhood serialization maps multi-hop information in the PPI Network into serialized feature embeddings, enabling the Graph Transformer to learn deeper functional features within the PPI Network. Based on game theory, the SHAP eXplainable Artificial Intelligence (XAI) framework optimizes model input and filters out feature noise, enhancing model performance. Compared to the advanced network method DeepGraphGO, SEGT-GO achieves more competitive results in standard large-scale datasets and superior results on small ones, validating its ability to extract functional information from deep proteins. Furthermore, SEGT-GO achieves superior results in cross-species learning and prediction of the functions of unseen proteins, further proving the method’s strong generalization.