Ayush Jain

GT '21

[Odyssey @odysseyml]

Today we’re unveiling Odyssey-3, a big step forward for foundation world models.

It can control robots, power humanoids, drive cars (on the roads of India!), train AIs, pilot drones, and even play video games.

We can’t wait to see what intelligent systems it enables.

[Normal @normalfactoryco]

The world around you is designed in CAD. How well can AI build it?

Introducing CADArena, benchmarking AI CAD generation across the tools engineers use

Agents can now build accurate geometry, but struggle to create feature trees engineers can maintain and edit

[横山トモヤス｜計算材料科学者 @yoko_materialDX]

高分子の3次元構造予測の論文。

高分子の化学構造をグラフ化し、拡散トランスフォーマーにより3次元構造を生成するモデルを構築、低分子との共同学習により3855個の高分子データからでも適切な構造を生成できたそうです。

低分子データをうまく活用した点がポイントそう。
https://t.co/MMNYvNFFs2

[Biology+AI Daily @BiologyAIDaily]

polyGen - A Learning Framework for Atomic-level Polymer Structure Generation

1. polyGen introduces a groundbreaking latent diffusion model tailored for the generation of realistic polymer structures, addressing the challenge of designing synthetic polymers with diverse conformations based on minimal input like repeat unit chemistry.

2. This framework stands out by integrating a molecular encoding that captures polymer connectivity, enabling it to predict a wide array of conformations, including both linear chains and complex branched structures.

3. polyGen overcomes the limitation of existing polymer generation models by utilizing a diffusion-based architecture to learn polymer conformations, extending beyond traditional DFT-optimized molecular structures to generate a variety of realistic 3D atomic configurations.

4. The model's innovative approach involves using a latent space that encodes chemical connectivity, which allows polyGen to generate diverse conformations of polymers even from small datasets, with a strong focus on capturing the low-energy conformational diversity inherent to polymer structures.

5. Results demonstrate that polyGen can successfully replicate the bond lengths, angles, and dihedral distributions of polymer structures, providing a robust tool for polymer design in material science, energy storage, and electronics applications.

6. One of the key strengths of polyGen is its ability to generate polymer ensembles with multiple diverse structures, offering a more accurate representation of polymer behavior compared to single-conformation approaches.

7. The model also benchmarks its performance using a unique evaluation method grounded in first principles, comparing the predicted polymer structures to ground truth data derived from Density Functional Theory (DFT) optimized structures.

8. Despite its success in generating accurate structures for smaller polymer systems, the model's performance shows challenges with larger repeat units and highly flexible chains, highlighting the need for further refinement to scale up its capabilities.

9. polyGen represents a significant step forward in computational materials science by enabling the rapid, on-demand generation of synthetic polymer structures, potentially accelerating the discovery of novel materials.

💻Code: https://t.co/OanqfezkBS
📜Paper: https://t.co/L1zFzI5R9h

#PolymerScience #DeepLearning #MaterialsScience #GenerativeModels #AIinMaterials #DiffusionModels #SyntheticPolymers #ComputationalDesign

[Ayush Jain @ajain300]

@nihar385 Idk was one of your problems about a G wagon?

[Ayush Jain @ajain300]

@DDNConfession That was all A-Town Showdown! Appreciate the love tho 💙

[Bollywood America @RoadToBA]

like this tweet to wish @athatavarty a happy birthday 🥳💙💖 (and watch this video for a summary of @GTQurbani @ BA 2020)

[Ayush Jain @ajain300]

@jujubug921 Lmao who r u

[Rob 🚀 @RJSzczerba]

@realDonaldTrump I'm guessing that FLOTUS' anti-cyberbullying campaign is going as well as her husband's healthcare bill. #ThursdayThoughts

[J.K. Rowling @jk_rowling]

20 years ago today a world that I had lived in alone was suddenly open to others. It's been wonderful. Thank you.

#HarryPotter20

[Kent @RealKentMurphy]

The slow motion version of the brawl is pure gold

[MRHS "crooked" Class o 2O17 @MRHS_2017]

Class of '17 feeling cocky on the second to last day of school

[Ayush Jain @ajain300]

@jujubug921 @DalaiLama :-/

[Ayush Jain @ajain300]

@varuntheamazing @sachisolanki_ @Parshva_San boooiiii charm city ALWAYS makes the cut

[Ayush Jain @ajain300]

@Bans99 @YJAtweets East is Beast tho

[Dwight K. Schrute, Dunder Mifflin (Parody) @DwightSchrute_]

today is the last day you can RT this

[President Obama @POTUS44]

It's been the honor of my life to serve you. You made me a better leader and a better man.

[The Funniest Trends @FunniestTrends]

Today is the last day to RT this