Kirill Neklyudov
@k-neklyudov.bsky.social
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Assistant Professor at Mila and UdeM
https://necludov.github.io/
reposted by
Kirill Neklyudov
3 months ago
(1/n)🚨Train a model solving DFT for any geometry with almost no training data Introducing Self-Refining Training for Amortized DFT: a variational method that predicts ground-state solutions across geometries and generates its own training data! 📜
arxiv.org/abs/2506.01225
💻
github.com/majhas/self-...
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David is disrupting everone's neurips grind by putting out amazing works, such a dirty trick!
add a skeleton here at some point
5 months ago
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reposted by
Kirill Neklyudov
Martin Bauer
5 months ago
Renormalisation is a central concept in modern physics. It describes how the dynamics of a system change at different scales. A great way to understand and visualise renormalisation is the Ising model (some math, but one can follow without it ) 1/13
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SuperDiff goes super big! - Spotlight at
#ICLR2025!🥳
- Stable Diffusion XL pipeline on HuggingFace
huggingface.co/superdiff/su...
made by Viktor Ohanesian - New results for molecules in the camera-ready
arxiv.org/abs/2412.17762
Let's celebrate with a prompt guessing game in the thread👇
7 months ago
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We've been sharing these projects during the year, but today, they have been accepted at
#ICLR2025
(1-3) and
#AISTATS2025
(4)
8 months ago
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🧵(1/7) Have you ever wanted to combine different pre-trained diffusion models but don't have time or data to retrain a new, bigger model? 🚀 Introducing SuperDiff 🦹♀️ – a principled method for efficiently combining multiple pre-trained diffusion models solely during inference!
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9 months ago
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reposted by
Kirill Neklyudov
Alán Aspuru-Guzik
9 months ago
10 minutes ago I am excited to share a perspective on the much-needed topic of hashtag#safety for hashtag#selfdrivinglaboratories. As the field progresses, understanding the challenges and gaps in building safe setups will be crucial for scaling up this technology!
doi.org/10.26434/che...
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Steering towards safe self-driving laboratories
The past decade has witnessed remarkable advancements in autonomous systems, such as automobiles that are evolving from traditional vehicles to ones capable of navigating complex environments without ...
https://doi.org/10.26434/chemrxiv-2024-2qx28
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reposted by
Kirill Neklyudov
Alexander Kolesnikov
9 months ago
With some delay, JetFormer's *prequel* paper is finally out on arXiv: a radically simple ViT-based normalizing flow (NF) model that achieves SOTA results in its class. Jet is one of the key components of JetFormer, deserving a standalone report. Let's unpack: 🧵⬇️
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Come join us in Singapore at
#ICLR2025
to discuss the latest developments everywhere where Learning meets Sampling!
add a skeleton here at some point
9 months ago
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We're presenting our spotlight paper on transition path sampling at
#NeurIPS2024
this week! Learn how to speed up the conventional Monte Carlo approaches by orders of magnitude Wed 11 Dec 4:30 pm #2606
arxiv.org/abs/2410.07974
first authors = {Yuanqi Du, Michael Plainer,
@brekelmaniac.bsky.social
}
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10 months ago
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so happy to see that Action Matching finds its applications in physics, outperforming diffusion models and Flow Matching! wonderful work by Jules Berman, Tobias Blickhan, and Benjamin Peherstorfer!
arxiv.org/abs/2410.12000
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10 months ago
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