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Genome-Scale Metabolic Models (GEMs) describe the interactions between genes, proteins, and the biochemical reactions that underpin an organism's metabolism aiming to computationally simulate functions at the cellular level. While many…

Genome-scale metabolic models (GEMs) are essential tools for systems biology and rational chassis design, but conventional top-down reconstruction depends heavily on sequence homology and often leaves unknown enzymes and metabolic dark…

Quantitative Methods · Quantitative Biology 2026-05-15 Weiyu Xiao , Jiangbin Zheng , Stan Z. Li

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

Reasoning about hypotheses and updating knowledge through empirical observations are central to scientific discovery. In this work, we applied logic-based machine learning methods to drive biological discovery by guiding experimentation.…

Molecular Networks · Quantitative Biology 2025-06-09 Lun Ai , Stephen H. Muggleton , Shi-Shun Liang , Geoff S. Baldwin

Predicting enzyme-substrate interactions has long been a fundamental problem in biochemistry and metabolic engineering. While existing methods could leverage databases of expert-curated enzyme-substrate pairs for models to learn from known…

Artificial Intelligence · Computer Science 2026-01-12 Tengwei Song , Long Yin , Zhen Han , Zhiqiang Xu

Life science is entering a new era of petabyte-level sequencing data. Converting such big data to biological insights represents a huge challenge for computational analysis. To this end, we developed DeepMetabolism, a biology-guided deep…

Genomics · Quantitative Biology 2017-05-10 Weihua Guo , You Xu , Xueyang Feng

Scientific discovery in biology is difficult due to the complexity of the systems involved and the expense of obtaining high quality experimental data. Automated techniques are a promising way to make scientific discoveries at the scale and…

Quantitative Methods · Quantitative Biology 2023-06-12 Alexander H. Gower , Konstantin Korovin , Daniel Brunnsåker , Ievgeniia A. Tiukova , Ross D. King

The classification of diabetes and prediabetes by static glucose thresholds obscures the pathophysiological dysglycemia heterogeneity, primarily driven by insulin resistance (IR), beta-cell dysfunction, and incretin deficiency. This review…

Machine Learning · Computer Science 2025-11-07 Ahmed A. Metwally , Heyjun Park , Yue Wu , Tracey McLaughlin , Michael P. Snyder

Cognitive diagnosis is a crucial task in computational education, aimed at evaluating students' proficiency levels across various knowledge concepts through exercises. Current models, however, primarily rely on students' answered exercises,…

Computers and Society · Computer Science 2023-12-19 Haiping Ma , Changqian Wang , Hengshu Zhu , Shangshang Yang , Xiaoming Zhang , Xingyi Zhang

Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep…

Chemical Physics · Physics 2025-12-11 Manajit Das , Ajnabiul Hoque , Mayank Baranwal , Raghavan B. Sunoj

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

We apply logic-based machine learning techniques to facilitate cellular engineering and drive biological discovery, based on comprehensive databases of metabolic processes called genome-scale metabolic network models (GEMs). Predicted host…

Artificial Intelligence · Computer Science 2024-11-14 Lun Ai , Stephen H. Muggleton , Shi-shun Liang , Geoff S. Baldwin

Short-read DNA sequencing instruments can yield over 1e+12 bases per run, typically composed of reads 150 bases long. Despite this high throughput, de novo assembly algorithms have difficulty reconstructing contiguous genome sequences using…

Genomics · Quantitative Biology 2023-06-09 Eric Chen , Justin Chu , Jessica Zhang , Rene L. Warren , Inanc Birol

Constructing atomic models from cryo-electron microscopy (cryo-EM) maps is a crucial yet intricate task in structural biology. While advancements in deep learning, such as convolutional neural networks (CNNs) and graph neural networks…

Quantitative Methods · Quantitative Biology 2024-11-01 Xin , Ma , Dong Si

The evaluation of large language models (LLMs) relies heavily on standardized benchmarks. These benchmarks provide useful aggregated metrics for a given capability, but those aggregated metrics can obscure (i) particular sub-areas where the…

Computation and Language · Computer Science 2025-12-25 Matyas Bohacek , Nino Scherrer , Nicholas Dufour , Thomas Leung , Christoph Bregler , Stephanie C. Y. Chan

Mobile crowdsourcing has become easier thanks to the widespread of smartphones capable of seamlessly collecting and pushing the desired data to cloud services. However, the success of mobile crowdsourcing relies on balancing the supply and…

Networking and Internet Architecture · Computer Science 2019-11-19 Ahmed Ben Said , Abdelkarim Erradi

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Gene expression data represents a unique challenge in predictive model building, because of the small number of samples $(n)$ compared to the huge amount of features $(p)$. This "$n<<p$" property has hampered application of deep learning…

Machine Learning · Statistics 2018-02-13 Yunchuan Kong , Tianwei Yu

Continuous Glucose Monitoring (CGM) can detect early metabolic subphenotypes (insulin resistance, IR; $\beta$-cell dysfunction), but population-scale deployment faces two coupled problems. First, the same physiological state appears through…

Machine Learning · Computer Science 2026-05-05 Hada Melino Muhammad , Zechen Li , Flora Salim , Ahmed A. Metwally

Manipulation of material properties via precise doping affords enormous tunable phenomena to explore. Recent advance shows that in the atomic and nano scales topological states of dopants play crucial roles in determining their properties.…

Materials Science · Physics 2018-10-01 Yuan Dong , Chuhan Wu , Chi Zhang , Yingda Liu , Jianlin Cheng , Jian Lin
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