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kexinhuang12345 avatar kexinhuang12345 commented on May 20, 2024 1

Hi, ideally, i found depending on different dataset and task, the models are somewhat parameters sensitive. I would suggest do hyperparameter searching for individual use case. We also provide a tutorial on Bayesian Hyperparameter search in the demo: https://github.com/kexinhuang12345/DeepPurpose/blob/master/DEMO/Drug_Property_Pred-Ax-Hyperparam-Tune.ipynb

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kexinhuang12345 avatar kexinhuang12345 commented on May 20, 2024 1

Hi, this is a good description of the BO using by Ax platform: https://ax.dev/docs/bayesopt.html

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kexinhuang12345 avatar kexinhuang12345 commented on May 20, 2024

the 100 epochs are following DeepDTA's implementation. But for small dataset, I usually find convergence in 10-20 epochs

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xuzhang5788 avatar xuzhang5788 commented on May 20, 2024

Thanks a lot

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xuzhang5788 avatar xuzhang5788 commented on May 20, 2024

I want to try https://github.com/kexinhuang12345/DeepPurpose/blob/master/DEMO/Drug_Property_Pred-Ax-Hyperparam-Tune.ipynb, but I can't find the data

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kexinhuang12345 avatar kexinhuang12345 commented on May 20, 2024

Hi, the data is from mit ai cures, you have to send an email to get it: https://www.aicures.mit.edu/forum

Checkout the open data section in https://www.aicures.mit.edu/data

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pykao avatar pykao commented on May 20, 2024

Hi Kexin, do you have any reference paper for Bayesian hyper-parameter search?

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