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Machine Learning To Identify Structural Motifs In Asphaltenes, Arun K. Sharma, Selsela Arsala, James Brady, Madison Franke, Shelby Franke, Supreet Gandhok, Simon-Olivier Gingras, Ana Gomez, Katelyn Huie, Kayla Katz, Samantha Kozlo, Mateo Longoria, Levi Molnar, Nathaly Peña, Sarina Regis

Biology and Chemistry Faculty Publications and Presentations

Asphaltenes are organic compounds that aggregate in crude oil with two dominant molecular architectures: archipelago and continental. Continental architectures possess a single uniform island structure composed of aromatic rings in contrast to archipelago architectures with aromatic cores interconnected through aliphatic chains. The structural composition of asphaltenes varies globally due to geographical differences, posing challenges in their classification due to a lack of uniformity. This study is the first known exploration of using image-based supervised machine learning, particularly the ResNet-50 neural network, for the binary classification of asphaltenes into continental and archipelago motifs. 255 continental and archipelago models underwent structural augmentations …