AcidProNet: Acidophilic Protein Classification via DCGAN-GP-Based Data Augmentation and Parameter-Shared Mixture-of-Experts Transformer

With the continued exploration of biological resources in extreme environments, functional proteins such as acidophilic proteins have attracted increasing attention. These proteins can maintain structural stability and biological functionality under highly acidic conditions (pH < 3), demonstrating significant application potential. However, the current identification of acidophilic proteins still relies on labor-intensive, time-consuming, and costly wet-lab experiments. Existing shallow machine learning methods (e.g., SVM, RF) are limited by their constrained model capacity─characterized by fewer parameters and shallow architectures─which restricts their ability to capture complex sequence-function relationships in acidophilic proteins. To address this issue, we propose an integrated computational framework, AcidProNet, which incorporates three key components: a CNN-based generative adversarial module, DCGAN-GP, for data augmentation; a sparsely and discretely activated, parameter-sharing Mixture-of-Experts Transformer, PS-MoE, designed to effectively optimize encoded features; and the utilization of a pretrained protein language model, ESM C, for extracting biologically meaningful protein embeddings. On an independent test set, our method outperforms existing models. Further expert-grouped and ablation experiments confirm its advantages in model stability and representational power. This study is the first to integrate embedding generation, data augmentation, and expert modeling within a unified framework, providing an efficient and scalable approach for functional protein prediction and laying a methodological foundation for advances in protein engineering applications. Additionally, we have developed a Web site for direct identification of acidophilic proteins, which can be accessed at http://www.bioai-lab.com/AcidNetPro.

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Publication Details

Journal
Journal of Chemical Information and Modeling
Published
2025-12-08
DOI
https://doi.org/10.1021/acs.jcim.5c02196
Primary Topic
Machine Learning in Bioinformatics
Type
article
Field-Weighted Citation Impact
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article

AcidProNet: Acidophilic Protein Classification via DCGAN-GP-Based Data Augmentation and Parameter-Shared Mixture-of-Experts Transformer

Yajie Meng, Quan Zou, Jiaxing Song, Feifei Cui et al.
Journal of Chemical Information and Modeling
Machine Learning in Bioinformatics
article

AcidProNet: Acidophilic Protein Classification via DCGAN-GP-Based Data Augmentation and Parameter-Shared Mixture-of-Experts Transformer

Yajie Meng, Quan Zou, Jiaxing Song, Feifei Cui, Leyi Wei, Zilong Zhang, Q. G. Wen, Aoyun Geng
article en

Abstract

With the continued exploration of biological resources in extreme environments, functional proteins such as acidophilic proteins have attracted increasing attention. These proteins can maintain structural stability and biological functionality under highly acidic conditions (pH < 3), demonstrating significant application potential. However, the current identification of acidophilic proteins still relies on labor-intensive, time-consuming, and costly wet-lab experiments. Existing shallow machine learning methods (e.g., SVM, RF) are limited by their constrained model capacity─characterized by fewer parameters and shallow architectures─which restricts their ability to capture complex sequence-function relationships in acidophilic proteins. To address this issue, we propose an integrated computational framework, AcidProNet, which incorporates three key components: a CNN-based generative adversarial module, DCGAN-GP, for data augmentation; a sparsely and discretely activated, parameter-sharing Mixture-of-Experts Transformer, PS-MoE, designed to effectively optimize encoded features; and the utilization of a pretrained protein language model, ESM C, for extracting biologically meaningful protein embeddings. On an independent test set, our method outperforms existing models. Further expert-grouped and ablation experiments confirm its advantages in model stability and representational power. This study is the first to integrate embedding generation, data augmentation, and expert modeling within a unified framework, providing an efficient and scalable approach for functional protein prediction and laying a methodological foundation for advances in protein engineering applications. Additionally, we have developed a Web site for direct identification of acidophilic proteins, which can be accessed at http://www.bioai-lab.com/AcidNetPro.

Journal of Chemical Information and ModelingVol. 65(24)
University of Electronic Science and Technology of China (CN), Wuhan University of Technology (CN), Hainan University (CN), Wuhan Textile University (CN), Centre for Artificial Intelligence and Robotics (IN), Wuhan Applied Science and Technology School (CN), Artificial Intelligence in Medicine (Canada) (CA), PRG S&Tech (South Korea), Wuhan University of Science and Technology (CN), Macao Polytechnic University (MO)
Openalex Percentile: Top 65%
Machine Learning in Bioinformatics
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