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Synthesizing Mixed-Boolean Arithmetic (MBA) expressions from input-output examples is central to program deobfuscation and also useful for compiler optimization, reverse engineering, and cryptanalysis. Existing MBA synthesizers are…

Programming Languages · Computer Science 2026-05-12 Gabriel Bathie , Baptiste Mouillon , Nathanaël Fijalkow

While deep learning has achieved great success in many fields, one common criticism about deep learning is its lack of interpretability. In most cases, the hidden units in a deep neural network do not have a clear semantic meaning or…

Genomics · Quantitative Biology 2019-06-04 Tianle Ma , Aidong Zhang

Benchmarking the performance of complex systems such as rail networks, renewable generation assets and national economies is central to transport planning, regulation and macroeconomic analysis. Classical frontier methods, notably Data…

Machine Learning · Computer Science 2026-03-18 Jia Ming Li , Anupriya , Daniel J. Graham

Graph Neural Networks (GNNs) have shown great success in many applications such as recommendation systems, molecular property prediction, traffic prediction, etc. Recently, CPU-FPGA heterogeneous platforms have been used to accelerate many…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-23 Yi-Chien Lin , Bingyi Zhang , Viktor Prasanna

GPTIPS is a free, open source MATLAB based software platform for symbolic data mining (SDM). It uses a multigene variant of the biologically inspired machine learning method of genetic programming (MGGP) as the engine that drives the…

Mathematical Software · Computer Science 2015-05-25 Dominic P. Searson

Implicit neural representations have emerged as a powerful approach for encoding complex geometries as continuous functions. These implicit models are widely used in computer vision and 3D content creation, but their integration into…

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Drug-drug interaction prediction is a crucial issue in molecular biology. Traditional methods of observing drug-drug interactions through medical experiments require significant resources and labor. This paper presents a medical knowledge…

Computation and Language · Computer Science 2024-07-29 Peng Gao , Feng Gao , Jian-Cheng Ni , Yu Wang , Fei Wang

Many models are proposed in the literature on biomedical event extraction(BEE). Some of them use the shortest dependency path(SDP) information to represent the argument classification task. There is an issue with this representation since…

Computation and Language · Computer Science 2025-01-22 Farshad Noravesh , Reza Haffari , Ong Huey Fang , Layki Soon , Sailaja Rajalana , Arghya Pal

Experimental validation of chemical processes is slow and costly, limiting exploration in materials discovery. Machine learning can prioritize promising candidates, but existing data in patents and literature is heterogeneous and difficult…

Chemical Physics · Physics 2025-12-09 Mikhail Tsitsvero , Atsuyuki Nakao , Hisaki Ikebata

Incomplete knowledge of metabolic processes hinders the accuracy of GEnome-scale Metabolic models (GEMs), which in turn impedes advancements in systems biology and metabolic engineering. Existing gap-filling methods typically rely on…

Molecular Networks · Quantitative Biology 2024-09-23 Xiaoyi Liu , Hongpeng Yang , Chengwei Ai , Ruihan Dong , Yijie Ding , Qianqian Yuan , Jijun Tang , Fei Guo

In this paper, we focus on task-specific question answering (QA). To this end, we introduce a method for generating exhaustive and high-quality training data, which allows us to train compact (e.g., run on a mobile device), task-specific QA…

Computation and Language · Computer Science 2024-01-25 Hai X. Pham , Isma Hadji , Xinnuo Xu , Ziedune Degutyte , Jay Rainey , Evangelos Kazakos , Afsaneh Fazly , Georgios Tzimiropoulos , Brais Martinez

We introduce graph gamma process (GGP) linear dynamical systems to model real-valued multivariate time series. For temporal pattern discovery, the latent representation under the model is used to decompose the time series into a…

Methodology · Statistics 2020-07-28 Rahi Kalantari , Mingyuan Zhou

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

This paper presents a principled and scalable framework for systematically generating complex Question Answering (QA) data. In the core of this framework is a graphlet-anchored generation process, where small subgraphs from a Knowledge…

Computation and Language · Computer Science 2026-04-30 Richard A. A. Jonker , Bárbara Maria Ribeiro de Abreu Martins , Sérgio Matos

Although existing variational graph autoencoders (VGAEs) have been widely used for modeling and generating graph-structured data, most of them are still not flexible enough to approximate the sparse and skewed latent node representations,…

Machine Learning · Computer Science 2024-10-15 Chaojie Wang , Xinyang Liu , Dongsheng Wang , Hao Zhang , Bo Chen , Mingyuan Zhou

Many dynamic processes such as telecommunication and transport networks can be described through discrete time series of graphs. Modelling the dynamics of such time series enables prediction of graph structure at future time steps, which…

Machine Learning · Computer Science 2026-02-10 Sevvandi Kandanaarachchi , Ziqi Xu , Stefan Westerlund , Conrad Sanderson

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable…

Knowledge graphs (KGs) serve as powerful tools for organizing and representing structured knowledge. While their utility is widely recognized, challenges persist in their automation and completeness. Despite efforts in automation and the…

Artificial Intelligence · Computer Science 2024-05-07 Mutahira Khalid , Raihana Rahman , Asim Abbas , Sushama Kumari , Iram Wajahat , Syed Ahmad Chan Bukhari
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