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Poster

Kernel-Based Evaluation of Conditional Biological Sequence Models

Pierre Glaser · Steffan Paul · Alan Amin · Alissa M. Hummer · Charlotte Deane · Debora Marks


Abstract:

We propose a set of kernel-based tools to evaluate the goodness-of-fit of conditional sequence models, with a focus on problems in computational biology. The backbone of our tools is a new measure of discrepancy between the true conditional distribution and the model's estimate, called the Augmented Conditional Maximum Mean Discrepancy (ACMMD). Provided that the model can be sampled from, the ACMMD can be estimated unbiasedly from data to quantify absolute model fit, integrated within hypothesis tests, and used to evaluate model reliability. We demonstrate the utility and promises of our approach by analyzing a popular protein design model.

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