A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.
Holzinger , author A
2 Pith papers cite this work. Polarity classification is still indexing.
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2026 2verdicts
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Position paper proposing Model Science as a discipline to systematically analyze AI model behavior beyond benchmarks, drawing analogies from cognitive science, neuroscience, medicine, and agriculture.
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Machine learning evaluation of structural descriptors for supercooled water
A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.
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The Case for Model Science: Verify, Explore, Steer, Refine
Position paper proposing Model Science as a discipline to systematically analyze AI model behavior beyond benchmarks, drawing analogies from cognitive science, neuroscience, medicine, and agriculture.