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Stefan Gugler⚗️化学

@stevain.bsky.social
649 followers 190 following 69 posts

theoretical chemist and ml person 日本語おK  خلض

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Stefan Gugler⚗️化学 @stevain.bsky.social · 28/06/2026
A 'side project' of mine just got published in ChemTexts! (linked in last post) 1/3 I always really loved etymology and figuring out where certain words come from. The names of chemical elements are particularly interesting, as meaning, phonetics and societal stuff gets mashed together.
decomposition of the Chinese character for lithium into a semantic compound that means 'metal' and a phonetic compound that sound like 'li'
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Felix Pultar @pultar.bsky.social · 12/01/2026
Ever wanted to run MD simulations of entire proteins in water with DFT accuracy? Meet AMPv3-BMS25, the latest iteration of our AMP multiscale neural network potential by @rinikerlab.bsky.social Read more in the preprints: doi.org/10.26434/che... doi.org/10.26434/che...
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Stefan Gugler⚗️化学 @stevain.bsky.social · 15/12/2025
I'll be at Pacifichem this week, hit me up if you wanna have a coffee! ☕
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Adrian Hill @adrianhill.de · 03/12/2025
Join us today from 4:30 to 7:30 PM @neuripsconf.bsky.social Hall C,D,E #1006 for our poster on SmoothDiff, a novel XAI method leveraging automatic differentiation. 🧵1/6
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Stefan Gugler⚗️化学 @stevain.bsky.social · 02/12/2025
I'm in San Diego this week for Neurips, hit me up if you wanna have a coffee ☕
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Stefan Gugler⚗️化学 @stevain.bsky.social · 18/11/2025
physics is a branch of chemistry
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Stefan Gugler⚗️化学 @stevain.bsky.social · 22/06/2025
I'm in Oslo this week for WATOC, hit me up if you wanna have a coffee ☕
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Stefan Gugler⚗️化学 @stevain.bsky.social · 12/03/2025
We have a new paper on diffusion!📄 Faster diffusion models with total variance/signal-to-noise ratio disentanglement! ⚡️ Our new work shows how to generate stable molecules in sometimes as little 8 steps and match EDM’s image quality with a uniform time grid. 🧵
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CECAM @cecamevents.bsky.social · 05/03/2025
We are already on Day 3 of the workshop "Density Functional Theory and Artificial Intelligence learning from each other" in sunny CECAM-HQ. This afternoon, Fang Liu (Emory University) & Michael Herbst (EPFL) will present their talks.
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Stefan Gugler⚗️化学 @stevain.bsky.social · 31/01/2025
our GPU cluster tonight after the ICML deadline
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Adrian Hill @adrianhill.de · 30/01/2025
You think Jacobian and Hessian matrices are prohibitively expensive to compute on your problem? Our latest preprint with @gdalle.bsky.social might change your mind! arxiv.org/abs/2501.17737 🧵1/8
Figure comparing automatic differentiation (AD) and automatic sparse differentiation (ASD).

(a) Given a function f, AD backends return a function computing vector-Jacobian products (VJPs). (b) Standard AD computes Jacobians row-by-row by evaluating VJPs with all standard basis vectors. (c) ASD reduces the number of VJP evaluations by first detecting a sparsity pattern of non-zero values, coloring orthogonal rows in the pattern and simultaneously evaluating VJPs of orthogonal rows. The concepts shown in this figure directly translate to forward-mode, which computes Jacobians column-by-column instead of row-by-row.
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Stefan Gugler⚗️化学 @stevain.bsky.social · 31/01/2025
We submitted our stuff to the ICML today at lunch and I am so happy about it. It's juicy, it might get rejected, but it has the heart in the right place :]
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Michael Bang Petersen @m-b-petersen.bsky.social · 20/11/2024
A mapping of how Bluesky is becoming the new Scientific Twitter mikeyoungacademy.dk/bluesky-is-e...
mikeyoungacademy.dk
Bluesky is emerging as the new platform for science - Mike Young Academy
Scientific Twitter is about to find its true successor. And it is not X. This, our latest release, shows that the Bluesky network of scientists is growing — and growing.
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Stefan Gugler⚗️化学 @stevain.bsky.social · 20/11/2024
Is "simulated annealing" really the best word for what it describes?
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Stefan Gugler⚗️化学 @stevain.bsky.social · 19/11/2024
The Pillar of Autumn (i know, i know)
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Sophie Vershbow @svershbow.bsky.social · 19/11/2024
Week 2 actively using Bluesky
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Stefan Gugler⚗️化学 @stevain.bsky.social · 19/11/2024
in 10 years we will all be like 'remember when they made all these starter packs on bsky?'
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Stefan Gugler⚗️化学 @stevain.bsky.social · 18/11/2024
One thing I can't square with the German culture of being on time is the always-late DB _sigh_
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Stefan Gugler⚗️化学 @stevain.bsky.social · 18/11/2024
Train Berlin-Stuttgart was 6.5 h and juuuust bearable. Nice!
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Stefan Gugler⚗️化学 @stevain.bsky.social · 17/11/2024
a lot of new connections due to the chemistry lists going around ... it's cool but also let's not make it too linkedin-y with the professionalism
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Stefan Gugler⚗️化学 @stevain.bsky.social · 16/11/2024
while gpt helps a lot with very technical writing, if the text should have any wit, any juice, anything reminiscent of prose, it's even more useless than i thought.
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Stefan Gugler⚗️化学 @stevain.bsky.social · 15/11/2024
im writing a pop sci article and forgot how difficult it is, uff
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👁️👅👁️ @alisonbuki.bsky.social · 05/02/2024
just one more simulacrum bro. i promise bro just one more simulacrum and it'll fix everything bro. bro... just one more simulacrum. please just one more. one more simulacrum and we can fix this whole problem bro. bro c mon just give me one more simulacrum i promise bro. just one more and hypereality will be perfect bro. bro bro please i just need one more simulacrum
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Stefan Gugler⚗️化学 @stevain.bsky.social · 05/02/2024
aspiring knuth--luxemburg brainchild
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Stefan Gugler⚗️化学 @stevain.bsky.social · 29/01/2024
how to get into the discourse on bsky :S
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Stefan Gugler⚗️化学 @stevain.bsky.social · 27/11/2023
bsky is still boring but otoh, i just got almost a dozen NameNumber3932x89 followers on Twitter this week, so idk. I miss early social media :S
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Stefan Gugler⚗️化学 @stevain.bsky.social · 22/11/2023
Time to speedrun zürich airport again
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Stefan Gugler⚗️化学 @stevain.bsky.social · 13/11/2023
is it stimming, tweaking, or bad monday when you draw the metro map on a napkin
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Stefan Gugler⚗️化学 @stevain.bsky.social · 12/11/2023
Mono-moding for the life of me
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Stefan Gugler⚗️化学 @stevain.bsky.social · 11/11/2023
its the dawn of the new millennium and you're somehow listening to panchiko
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Deutsche Guardiola @deutscheguardi1.eurosky.social · 16/10/2023
halbe timeline heute morgen
artis-eisgesicht in kapuze text "samstag war noch 30 grad"
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Stefan Gugler⚗️化学 @stevain.bsky.social · 14/09/2023
「化学は万物の尺度である」
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Stefan Gugler⚗️化学 @stevain.bsky.social · 13/09/2023
Student-t (left) vs Gaussian (right) with their log probabilities (below), sort of illustrating the student's fat tails.
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Stefan Gugler⚗️化学 @stevain.bsky.social · 06/09/2023
i reluctantly sent a mini proof to a mathematician and got called cute for it :3
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Stefan Gugler⚗️化学 @stevain.bsky.social · 06/09/2023
so what's the vibe on here: more sincereposting, shitposting, or seriousposting?
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