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The identification of DNA-binding proteins (DBPs) is essential due to their significant impact on various biological activities. Understanding the mechanisms underlying protein-DNA interactions is essential for elucidating various life…

Machine Learning · Computer Science 2026-01-27 A. Quadir , M. Sajid , M. Tanveer

Graph Neural Networks (GNNs) have been widely adopted for Protein Representation Learning (PRL), as residue interaction networks can be naturally represented as graphs. Current GNN-based PRL methods typically rely on single-perspective…

Artificial Intelligence · Computer Science 2026-01-16 Yusong Wang , Jialun Shen , Zhihao Wu , Yicheng Xu , Shiyin Tan , Mingkun Xu , Changshuo Wang , Zixing Song , Prayag Tiwari

Software fault localization remains challenging due to limited feature diversity and low precision in traditional methods. This paper proposes a novel approach that integrates multi-objective optimization with deep learning models to…

Software Engineering · Computer Science 2024-11-27 Xiaolei Hu , Dongcheng Li , W. Eric Wong , Ya Zou

Recent advances in the masked autoencoder (MAE) paradigm have significantly propelled self-supervised skeleton-based action recognition. However, most existing approaches limit reconstruction targets to raw joint coordinates or their simple…

Computer Vision and Pattern Recognition · Computer Science 2025-09-05 Shengkai Sun , Zefan Zhang , Jianfeng Dong , Zhiyong Cheng , Xiaojun Chang , Meng Wang

We propose a novel approach for the challenge of designing less complex yet highly effective convolutional neural networks (CNNs) through the use of cartesian genetic programming (CGP) for neural architecture search (NAS). Our approach…

Neural and Evolutionary Computing · Computer Science 2023-06-06 Cosijopii Garcia-Garcia , Alicia Morales-Reyes , Hugo Jair Escalante

A supervised feature selection method selects an appropriate but concise set of features to differentiate classes, which is highly expensive for large-scale datasets. Therefore, feature selection should aim at both minimizing the number of…

Machine Learning · Computer Science 2024-02-21 Sevil Zanjani Miyandoab , Shahryar Rahnamayan , Azam Asilian Bidgoli

Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used.…

Machine Learning · Computer Science 2025-01-31 Yan Sun , Yutong Lu , Yan Yi Li , Zihao Jing , Carson K. Leung , Pingzhao Hu

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity of their structural design space. Conventional computational…

Machine Learning · Computer Science 2025-06-03 Srivathsan Badrinarayanan , Rishikesh Magar , Akshay Antony , Radheesh Sharma Meda , Amir Barati Farimani

In this study, we propose HOPER (HOlistic ProtEin Representation), a novel multimodal learning framework designed to enhance protein function prediction (PFP) in low-data settings. The challenge of predicting protein functions is compounded…

Biomolecules · Quantitative Biology 2024-12-18 Serbülent Ünsal , Sinem Özdemir , Bünyamin Kasap , M. Erşan Kalaycı , Kemal Turhan , Tunca Doğan , Aybar C. Acar

Protein-protein interaction (PPI) network alignment is a canonical operation to transfer biological knowledge among species. The alignment of PPI-networks has many applications, such as the prediction of protein function, detection of…

Molecular Networks · Quantitative Biology 2019-05-15 Ehsan Kazemi , Matthias Grossglauser

Multi-output Gaussian processes (MOGPs) have been introduced to deal with multiple tasks by exploiting the correlations between different outputs. Generally, MOGPs models assume a flat correlation structure between the outputs. However,…

Machine Learning · Computer Science 2023-09-01 Chunchao Ma , Arthur Leroy , Mauricio Alvarez

We present a multi-objective evolutionary optimization algorithm that uses Gaussian process (GP) regression-based models to select trial solutions in a multi-generation iterative procedure. In each generation, a surrogate model is…

Neural and Evolutionary Computing · Computer Science 2020-05-22 Xiaobiao Huang , Minghao Song , Zhe Zhang

This paper presents a self-supervised learning framework, named MGF, for general-purpose speech representation learning. In the design of MGF, speech hierarchy is taken into consideration. Specifically, we propose to use generative learning…

Sound · Computer Science 2021-02-04 Yucheng Zhao , Dacheng Yin , Chong Luo , Zhiyuan Zhao , Chuanxin Tang , Wenjun Zeng , Zheng-Jun Zha

Program representation, which aims at converting program source code into vectors with automatically extracted features, is a fundamental problem in programming language processing (PLP). Recent work tries to represent programs with neural…

Machine Learning · Computer Science 2022-02-28 Ting Long , Yutong Xie , Xianyu Chen , Weinan Zhang , Qinxiang Cao , Yong Yu

Mixed-integer linear programming (MILP) is widely employed for modeling combinatorial optimization problems. In practice, similar MILP instances with only coefficient variations are routinely solved, and machine learning (ML) algorithms are…

Optimization and Control · Mathematics 2023-03-07 Qingyu Han , Linxin Yang , Qian Chen , Xiang Zhou , Dong Zhang , Akang Wang , Ruoyu Sun , Xiaodong Luo

In the field of evolutionary multi-objective optimization, the approximation of the Pareto front (PF) is achieved by utilizing a collection of representative candidate solutions that exhibit desirable convergence and diversity. Although…

Neural and Evolutionary Computing · Computer Science 2024-07-10 Peng Chen , Jing Liang , Kangjia Qiao , Ponnuthurai Nagaratnam Suganthan , Xuanxuan Ban

In solving multi-modal, multi-objective optimization problems (MMOPs), the objective is not only to find a good representation of the Pareto-optimal front (PF) in the objective space but also to find all equivalent Pareto-optimal subsets…

Neural and Evolutionary Computing · Computer Science 2022-10-24 Tapabrata Ray , Mohammad Mohiuddin Mamun , Hemant Kumar Singh

Pre-trained Language Models have emerged as promising tools for predicting molecular properties, yet their development is in its early stages, necessitating further research to enhance their efficacy and address challenges such as…

Machine Learning · Computer Science 2023-10-24 Eduardo Soares , Akihiro Kishimoto , Emilio Vital Brazil , Seiji Takeda , Hiroshi Kajino , Renato Cerqueira

In this paper, a nonlinear symbolic regression technique using an evolutionary algorithm known as multi-gene genetic programming (MGGP) is applied for a data-driven modelling between the dependent and the independent variables. The…

Neural and Evolutionary Computing · Computer Science 2014-03-05 Indranil Pan , Daya Shankar Pandey , Saptarshi Das