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一个新的分子式推算生成工具,FastFlows。从名字也可以看出来基本上就是用了 NF,从功能的角度来说和 VAE,GAN 什么的区别并不大,不过NF 的目标换成了去寻找一个和数据集后验分布一样的分布,也可以计算似然,用双射映射的一系列操作把原始分布弄成新的分布,经典案例就是对高斯分布作各种花里胡哨的转换。我个人对 NF 没有太多特别的感觉,这个框架感觉也只是用了 NF 做一个实验,没看出来有什么量化效果比 VAE 或者 GAN更好。
不过这个 repo 挺牛逼的,都是化学,生物,和材料领域一些深度学习的应用,tutorial 挺全的。 https://github.com/deepchem/deepchem/



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一个新的分子式推算生成工具,FastFlows。从名字也可以看出来基本上就是用了 NF,从功能的角度来说和 VAE,GAN 什么的区别并不大,不过NF 的目标换成了去寻找一个和数据集后验分布一样的分布,也可以计算似然,用双射映射的一系列操作把原始分布弄成新的分布,经典案例就是对高斯分布作各种花里胡哨的转换。我个人对 NF 没有太多特别的感觉,这个框架感觉也只是用了 NF 做一个实验,没看出来有什么量化效果比 VAE 或者 GAN更好。
不过这个 repo 挺牛逼的,都是化学,生物,和材料领域一些深度学习的应用,tutorial 挺全的。 https://github.com/deepchem/deepchem/

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