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gpuGEM: GPU-based linear optimisation of genome-scale metabolic models

Farid Zare, Timothy Hulshof, Ines Thiele, Ronan M. T. Fleming · 2026 · arXiv (Cornell University)

DOI: 10.48550/arxiv.2610.24106 · cited by 0 works (OpenAlex) · open-access PDF

Arabic

أولاً: نموذج البيولوجيا على نطاق جينوم يهدد بشكل متزايد حلول البرمجيات الصلبة في عمليات التحليل العملية المتكررة. نحن نقدم gpuGEM، مكتبة Python مفتوحة المصدر لتحديث GEM على أساس GPU باستخدام NVIDIA cuOpt، مع إعدادات مرنة متكاملة تم تحديدها ضد HiGHS وGurobi. عبر مجموعة من النماذج الصلبة التي تتراوح بين أربعة أبعاد من حجم المشكلة، تمكن gpuGEM من زيادة السرعة من 1.1x إلى 94x مقارنة مع أسرع طريقة HiGHS Dual-Simplex و Interior-Point لكل نموذج. gpuGEM أيضا أداء Gurobi على ثلاث من النماذج على الانترنت عشر، مع زيادة السرعة من 1.6x إلى

Machine translation (Meta M2M100); the English original follows.

Abstract

Summary: Genome-scale metabolic models increasingly challenge CPU linear-programming solvers in repeated-optimisation workflows. We present gpuGEM, an open-source Python library for GPU-based GEM optimisation using NVIDIA cuOpt, with size-adaptive settings validated against HiGHS and Gurobi. Across a ten-model benchmark suite spanning four orders of magnitude in problem size, gpuGEM achieved speed-ups of 1.1x to 94x relative to the faster of the HiGHS dual-simplex and interior-point methods for each model. gpuGEM also outperformed Gurobi on three of ten models, with speed-ups of 1.6x to 2.5x. In a candidate-gene prioritisation workflow, gpuGEM reduced end-to-end query time from 41 s to 21 s. Availability and Implementation: gpuGEM is released under the MIT licence at https://github.com/Digital-Metabolic-Twin-Centre/gpuGEM and on PyPI (pip install gpugem). An archived release(v0.1.2) is available at https://zenodo.org/records/23422813. gpuGEM requires an NVIDIA GPU, Python 3.11 or later, CUDA 12 and cuOpt 26.6 or later. cuOpt requires a GPU with Volta architecture or newer (compute capability 7.0 or newer). Contact: ronan.mt.fleming@gmail.com Supplementary information: Supplementary data are available at Bioinformatics online.

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Topics: Python (programming language), Suite, Computer science, CUDA, Benchmark (surveying), Parallel computing

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