Neural Message Passing for Quantum Chemistry · HackerPapers discussions

Neural Message Passing for Quantum Chemistry — mentioned by cute_boi

Tue, 07 Jul 2026 19:03:23 GMT

No need stupid moving texts. CS231n: Convolutional Neural Networks for Visual Recognition - https://cs231n.github.io/ The Unreasonable Effectiveness of Recurrent Neural Networks - https://karpathy.github.io/2015/05/21/rnn-effectiveness/ Understanding LSTM Networks - https://colah.github.io/posts/2015-08-Understanding-LSTMs/ ImageNet Classification with Deep Convolutional Neural Networks - https://papers.nips.cc/paper/2012/hash/c399862d3b9d6b76c8436... Deep Residual Learning for Image Recognition - https://arxiv.org/abs/1512.03385 Multi-Scale Context Aggregation by Dilated Convolutions…

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Neural Message Passing for Quantum Chemistry — mentioned by gooob

Tue, 07 Jul 2026 18:54:32 GMT

https://colah.github.io/posts/2015-08-Understanding-LSTMs/ https://papers.nips.cc/paper/2012/hash/c399862d3b9d6b76c8436... https://papers.nips.cc/paper_files/paper/2012/file/c399862d3... https://arxiv.org/pdf/1512.03385 https://arxiv.org/pdf/1511.07122 https://arxiv.org/pdf/1603.05027 https://arxiv.org/pdf/1409.2329 https://arxiv.org/pdf/1512.02595 https://arxiv.org/pdf/1409.0473 https://arxiv.org/pdf/1506.03134 https://arxiv.org/pdf/1706.03762 https://nlp.seas.harvard.edu/annotated-transformer/ https://arxiv.org/pdf/1410.5401 https://arxiv.org/pdf/1706.01427 https://arxiv.org/pdf/1806.01822…

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Neural Message Passing for Quantum Chemistry — mentioned by is_true

Sat, 18 May 2024 12:26:29 GMT

a backup just in case https://nlp.seas.harvard.edu/annotated-transformer/ https://scottaaronson.blog/?p=762 https://karpathy.github.io/2015/05/21/rnn-effectiveness/ https://colah.github.io/posts/2015-08-Understanding-LSTMs/ https://arxiv.org/pdf/1409.2329.pdf https://www.cs.toronto.edu/~hinton/absps/colt93.pdf https://arxiv.org/pdf/1506.03134.pdf https://proceedings.neurips.cc/paper_files/paper/2012/file/c... https://arxiv.org/pdf/1511.06391.pdf https://arxiv.org/pdf/1811.06965.pdf https://arxiv.org/pdf/1512.03385.pdf https://arxiv.org/pdf/1511.07122.pdf https://arxiv.org/pdf/1704.01212.pdf…

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Neural Message Passing for Quantum Chemistry — mentioned by eachro

Tue, 05 Jan 2021 02:58:01 GMT

Has the author looked at how GNNs are used in say predicting molecular properties[1] or molecule generation[2]? GNNs are the state of the art on those tasks and those problems are certainly much harder than the Cora/Citeseer/etc semisupervised node label prediction tasks. [1] https://arxiv.org/abs/1704.01212 [2] http://proceedings.mlr.press/v80/jin18a/jin18a.pdf

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Neural Message Passing for Quantum Chemistry — mentioned by amitoz_azad

Fri, 21 Aug 2020 13:26:13 GMT

My PyTorch hackathon submission. Basically I am showing that how PDEs on graphs can be solved with Message Passing class of torch_geometric and created a tool torch_pdegraph to facilitate this. I work in the field of PDEs on graphs and I realized that Message passagin equation (the way of forward convolution) on graphs (https://arxiv.org/pdf/1704.01212.pdf) can also be used to solve some PDEs on graphs.

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