Javier Antorán

388 posts

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Javier Antorán

Javier Antorán

@JaviAC7

Molecular Dynamics and Bayesian Inference @Angstrom_ai & @CambridgeMLG .

เข้าร่วม Aralık 2019
494 กำลังติดตาม920 ผู้ติดตาม
ทวีตที่ปักหมุด
Javier Antorán
Javier Antorán@JaviAC7·
Super excited to announce @Angstrom_ai, our startup using Gen AI to build fast and experimentally accurate simulations of molecular interactions together with @SilkyDogfish, @jmhernandez233 and Gabor Csanyi. We are backed by @ycombinator! See below for a simulation demo (1/3)🧵.
Y Combinator@ycombinator

YC S24's @Angstrom_ai builds fast and experimentally accurate Gen AI simulations of molecular interactions, replacing wet lab experiments in the drug development pipeline. ycombinator.com/launches/LGp-n… Congraats on the launch, @JaviAC7, @SilkyDogfish, and @jmhernandez233!

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Javier Antorán รีทวีตแล้ว
James Allingham
James Allingham@JamesAllingham·
I'll be at NeurIPS next week, presenting our work "A Generative Model of Symmetry Transformations." In it, we propose a symmetry-aware generative model that discovers which (approximate) symmetries are present in a dataset, and can be leveraged to improve data efficiency. 🧵⬇️
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Javier Antorán รีทวีตแล้ว
@·
It was such a pleasure co-organizing @aabi_org this year! We had a great program---with fantastic posters, speakers, and panelists---and talked about topics ranging from approximate inference and smart priors to AI safety and LLMs! 🚀Check out the first-ever AABI proceedings!🚀
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Javier Antorán รีทวีตแล้ว
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Proceedings of the 6th Symposium on Advances in Approximate Bayesian Inference, held in Vienna and co-located with #ICML2024, is now available at proceedings.mlr.press/v253/ #AABI #Bayes
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Vincent Fortuin @vincefort.bsky.social
If you can't be in Vienna today to join us for AABI 2024, you can watch our live stream!
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Vincent Fortuin @vincefort.bsky.social
Really excited that AABI is sponsored by Basis this year. See you on Sunday!
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Javier Antorán รีทวีตแล้ว
@·
🚀 @Angstrom_ai launched! Replace wetlab experiments with Gen AI molecular simulations "Accelerating molecular simulation using generative AI" ⚡️ 🌐 angstrom-ai.com 🧪 Ångström AI builds fast and experimentally accurate generative AI-based simulations of molecular
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Agustinus Kristiadi
Agustinus Kristiadi@akristiadi7·
Going to ICML is ~2 weeks? In Vienna already on Sunday? Why not hang out with probabilistic inference folks? Chat about the future of prob. modeling in the foundation model era, decision-making & planning under uncertainty, and other stuff! Registration is free, but limited 👇
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Javier Antorán รีทวีตแล้ว
@·
Super stoked to be building accelerated molecular simulations at @Angstrom_ai with @JaviAC7 @jmhernandez233 and Gabor Csanyi! We combine experimentally accurate force fields (MACE) with accelerated sampling using generative models. To start off we are focusing on providing
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Javier Antorán
Javier Antorán@JaviAC7·
In hydration simulations, the slowest modes are given by the interaction between the solute and its first water shell. Our models draw independent and unbiased samples from this region, greatly accelerating the convergence of free energy estimations. (3/3)
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Javier Antorán
Javier Antorán@JaviAC7·
In de novo drug design, proposals often fail during experimental validation due to poor solubility. That is why we are starting by using our tech to accelerate the computation of  hydration free energies! (2/3)
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Javier Antorán
Javier Antorán@JaviAC7·
Super excited to announce @Angstrom_ai, our startup using Gen AI to build fast and experimentally accurate simulations of molecular interactions together with @SilkyDogfish, @jmhernandez233 and Gabor Csanyi. We are backed by @ycombinator! See below for a simulation demo (1/3)🧵.
Y Combinator@ycombinator

YC S24's @Angstrom_ai builds fast and experimentally accurate Gen AI simulations of molecular interactions, replacing wet lab experiments in the drug development pipeline. ycombinator.com/launches/LGp-n… Congraats on the launch, @JaviAC7, @SilkyDogfish, and @jmhernandez233!

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Javier Antorán
Javier Antorán@JaviAC7·
TLDR: @JihaoAndreasLin continues to make GPs Better, Faster, Stronger. GP-based LLM coming soon. 🤖🤖 We review and analyze best-practices for GP hyper parameter learning which are not given attention in the literature, but when combined, yield orders of magnitude speedups!
@

"Improving Linear System Solvers for Hyperparameter Optimisation in Iterative Gaussian Processes" Three techniques to accelerate marginal likelihood training in GPs by up to 72x without sacrificing performance! Check out our paper here: arxiv.org/abs/2405.18457 (1/6)

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Petar Veličković
Petar Veličković@PetarV_93·
Disagree all you want with Bayesian learning, but there are _far_ better ways to do it than screenshotting a PhD graduate's thesis and shaming an entire university. I didn't study Bayesian methods at Cambridge but I interacted with many Bayesians and learnt _so much_ from them.
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Louis Bernabé
Louis Bernabé@LouisFLBernabe·
@PetarV_93 I also find this kind of shaming rather improper, even though I can agree with the stated objective of saving taxpayer money.
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