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playing around with dynamics of anti-Bredt olefin cycloadditions over here at @RowanSci—matching @GargLab @houk1000, cycloaddition to anthracene seems to be concerted but slightly asynchronous. pretty cool to watch these reactions take place:
Two-Stage Pretraining for Molecular Property Prediction in the Wild 1. Introducing MoleVers: A new pretrained model designed for molecular property prediction, optimized for data-scarce scenarios where experimentally-validated labels are limited. MoleVers leverages a two-stage…
Thrilled to present Scientific Generative Agent at @icmlconf w/ @johnsonwang0810, @GuoMh14, @EdwardSun0909, Josh Tenenbaum, Daniela Rus, @gan_chuang , and Wojciech Matusik. Tl;dr: we use LLMs 🧠 and simulation 🧪 for physical scientific discovery. github.com/PingchuanMa/SGA
(random thinking out loud) What makes good research? Or what are the classes of good research? When reviewing, we tend to reward novelty. Novelty is ill-defined but for incremental work (i.e. one that improves upon an existing benchmark), it tends to mean it uses a new idea or…
Compact Representation Computation for Shapes—Summary of the Coverage Axis Series The latest work in the Coverage Axis series🐱, Coverage Axis++, has recently been completed and accepted by SGP2024. Here, I provide a summary of our efforts on this problem. In the Coverage Axis…
Many thanks to our first speaker @TianweiY presenting “Distribution Matching Distillation (DMD)”— showing crazy-fast image generation over Stable Diffusion! (see video)
However, I don't think it's just textures coming from an image-based model. Sometimes, shapes of objects are highly distorted, but make sense when viewed from particular angles. Also note the top-right: looks like two different views of an object incorrectly stitched together.
I’ll be joining @GeorgiaTech as an Assistant Professor in @GTaerospace in Dec 2023! Immense gratitude to my PhD advisor Katia Bertoldi, my postdoc advisors @ProfZhaoMIT and Wojciech Matusik, and all my colleagues at @hseas, @MIT_CSAIL, @MITMechE, and elsewhere.
ML models need to be trained on millions of labeled molecular structures to predict its properties. By contrast, MIT’s AI only needs a small amount of data, outperforming other ML approaches & potentially speeding up drug discovery: bit.ly/3pE1UMB
Learning the language of molecules to predict their properties: news.mit.edu/2023/learning-… Amazing work by @GuoMh14 an colleagues!
Mathematics is the art of giving the same name to different things(Henri Poincaré). Machine learning is the art of giving different names to the same thing.
GPT-4 "discovered" the same sorting algorithm as AlphaDev by removing "mov S P". No RL needed. Can I publish this on nature? here are the prompts I used chat.openai.com/share/95693df4… (excuse my idiotic typos, but gpt4 doesn't mind anyways)
Sorting algorithm underpins all critical softwares. DeepMind's AlphaDev speeds up sorting small sequences (3-5 items) by 70%. Key takeaways: * The main RL algorithm is based on AlphaZero that originally played Go, Chess & Shogi. Same idea applies to searching programs! * Instead…
ICML is depressing. It seems that the more trivial the paper, the higher it scores. Reviewers prefer easily digestible morsels over more substantive work.
Better late than never :) Code and models for the Shape Matching Element Method ( Ty Trusty and @HonglinChen_ ) are live now dgp.toronto.edu/projects/shape…
Wow! I was surprised by this work, dug a bit further, and ended up with this one published in 3DIMPVT 2001 😅: "Affine transformations of 3D objects represented with neural networks" ieeexplore.ieee.org/abstract/docum…
Little experiment with molecular diagrams in @UsePenrose Basically I wrote my own little molecule language: github.com/penrose/penros… Then I said how to draw molecules via CSS-like code: github.com/penrose/penros… Then I described some molecules! github.com/penrose/penros… (1/n)
Introducing our #NeurIPS2021 paper: "SAPE"! An effective policy for incorporating "positional encodings" in coordinate-based #neuralnetworks. Project page: amirhertz.github.io/sape/ Paper: arxiv.org/abs/2104.09125 @hertz_amir @OrPerel @RGiryes @OlgaSorkineH @DanielCohenOr1 (1/6)
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Who to follow
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Hong-Xing "Koven" Yu
@Koven_Yu -
Yue Wang
@yuewang314 -
Ziqi Huang
@ziqi_huang_ -
Yixiao Ge
@ge_yixiao -
Tai Wang
@wangtai97 -
Jiaqi Wang
@wjqdev -
Yuzhe Yang
@yang_yuzhe -
Jinkun Cao
@jinkuncao -
Jiahao Xie
@JiahaoXie3 -
Jingbo Wang
@Alex_wangjingbo -
Anyi Rao
@raoanyi -
Xihui Liu
@XihuiLiu -
Hao (Richard) Zhang
@richardzhangsfu -
Peter Yichen Chen
@peterchencyc -
Pingchuan Ma
@pika7ma
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