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Fairly validate your model with proper test/train data

Open chevrm opened this issue 7 years ago • 6 comments

Have you checked the list of proposed rules to see if the rule has already been proposed?

  • [X] Yes

Feel free to elaborate, rant, and/or ramble.

Any citations for the rule? (peer-reviewed literature preferred but not required)

  • DOI

chevrm avatar Nov 11 '18 16:11 chevrm

Could be merged as is proposed elsewhere but I feel that this is important enough to be its own rule

chevrm avatar Nov 11 '18 16:11 chevrm

I agree, this is a fairly important one! On the flip-side, this is not unique to Deep Learning and applied basically to machine learning in general. Nonetheless, I feel like we should mention it explicitly. But to make this more DL-specific for these "10 rules for DL" we maybe want to think about a more specific title for this rule.

I.e., something along the lines of that while large test sets may be sufficiently reliable estimators of the generalization performance, we still need to ensure test sets remain independent.

rasbt avatar Nov 14 '18 21:11 rasbt

Nice to see models validated in external, publicly available datasets generated by different labs. Potentially even across platforms (e.g. microarray vs RNAseq). Biological reproducibility!

gwaybio avatar Nov 20 '18 23:11 gwaybio

It is also good to think about the potential applications that users might find for your model, and then validate/invalidate those applications if possible. For instance, validating variant effect prediction of TF binding models across many kinds of variants (e.g. indels, SNPs) and not just looking at accuracy of TF binding predictions.

evancofer avatar Nov 21 '18 16:11 evancofer

Completely agree will all.

How might we rephrase this to make it more DL-specific? Or rather should we leaveit more ML in general and add DL-specific caveats as we explain?

I really like Evan's examples.

On Wed, Nov 21, 2018 at 10:16 AM Evan Cofer [email protected] wrote:

It is also good to think about the potential applications that users might find for your model, and then validate/invalidate those applications if possible. For instance, validating variant effect prediction of TF binding models across many kinds of variants (e.g. indels, SNPs) and not just looking at accuracy of TF binding predictions.

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chevrm avatar Nov 21 '18 16:11 chevrm

Regarding performance metrics etc. just want to throw in this reference:

  • Korotcov A, Tkachenko V, Russo DP, Ekins S: Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets. Molecular Pharmaceutics 2017, 14:4462–4475. https://pubs.acs.org/doi/10.1021/acs.molpharmaceut.7b00578

rasbt avatar Dec 10 '18 02:12 rasbt