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Dr. St❦fan Gugler Profile
Dr. St❦fan Gugler

@stevain

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Postdoc @TUBerlin/@bifoldberlin. PhD in ML for quantum chem @ETH. Phil of Sci/Chem and politics. 日本語でおk

Switzerland
Joined May 2011
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@stevain
Dr. St❦fan Gugler
1 year
Normalize academics talking about their failures. I'll go first: We got rejected at Berghain on Saturday night.
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@stevain
Dr. St❦fan Gugler
2 months
I'm in Oslo this week for WATOC, hit me up if you wanna have a coffee ☕.
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@stevain
Dr. St❦fan Gugler
5 months
Post on previous work: and
@stevain
Dr. St❦fan Gugler
1 year
First publication of my postdoc in Berlin is out on arXiv today! 🎉. ~~> We use diffusion probabilistic models to relax distorted molecules. No out-of-equilibrium data needed!. A little 6-thread🧵
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@stevain
Dr. St❦fan Gugler
5 months
8/ Takeaway: Exploding TV isn’t needed. Control TV + SNR separately for faster, better sampling. Method generalizes across domains (molecules, images).
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@stevain
Dr. St❦fan Gugler
5 months
7/ Why it works? Our empirical analysis shows:. 1. Straight trajectories near data (t ≈ 0) are important (see in the inset plot).2. Broad support of pₜ(𝐱) early on → robust to errors (note how SMLD goes from small to huge range instead of staying the same)
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@stevain
Dr. St❦fan Gugler
5 months
6/ Images: Matches EDM with uniform grid. No fancy time grids like in EDM needed! VP-ISSNR on CIFAR-10/FFHQ ≈ EDM but with fewer hyperparameters!.
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@stevain
Dr. St❦fan Gugler
5 months
5/ Molecules in 8 Steps:. VP-ISSNR achieves 74% stability with 8 steps, 95% with 64 (SDE). Beats all baselines!
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@stevain
Dr. St❦fan Gugler
5 months
4/ We propose a new VP schedule 📈:. Exponential inverse sigmoid SNR (ISSNR)→ rapid decay at start/end. Generalizes Optimal Transport Flow Matching.
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@stevain
Dr. St❦fan Gugler
5 months
3/ VP variants improve existing schedules:. Take SMLD/EDM (exploding TV) → force TV=1. Result: +30% stability for molecules with 8 steps . (x-axis is NFE=number of function evals).
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@stevain
Dr. St❦fan Gugler
5 months
2/ Most schedules (like EDM by Karras or SMLD (@DrYangSong, @StefanoErmon) let TV explode (VE=variance exploding). We show constant TV (variance preserving, VP) + optimized SNR works better (ISSNR)!. (it's a wild table, sorry, but notice our VP variants I circled)
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@stevain
Dr. St❦fan Gugler
5 months
1/ Problem: Diffusion models are slow due to repeated evals but reducing steps hurts quality if the noise schedule isn’t optimal. Other schedules passively adjust variance. Can we do better?. 🔑Insight: Control Total Variance (TV) and signal-to-noise-ratio (SNR) independently!
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@stevain
Dr. St❦fan Gugler
5 months
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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@stevain
Dr. St❦fan Gugler
6 months
RT @cecamEvents: We are already on Day 3 of the workshop "Density Functional Theory and Artificial Intelligence learning from each other" i….
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@stevain
Dr. St❦fan Gugler
9 months
RT @lciernik: If two models are more similar to each other than a third on ImageNet, will this hold for medical/ satellite images? Our prep….
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@stevain
Dr. St❦fan Gugler
10 months
RT @FarnoushRJ: 🎉 Thrilled to announce that our paper MambaLRP has been accepted at #NeurIPS2024! .Explain your Mamba models in a faithful….
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@stevain
Dr. St❦fan Gugler
10 months
RT @girlbossmoder: Equivariant daughter vs augmented son.
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@stevain
Dr. St❦fan Gugler
10 months
who's going to win the election? | what's your paradigm: equivariance constraints or data augmentation?.
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@stevain
Dr. St❦fan Gugler
10 months
RT @adr_hill: Are you curious what automatic differentiation looks like in Julia? The talk @giomdal and I gave at @JuliaConOrg is finally….
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@stevain
Dr. St❦fan Gugler
10 months
I'm looking at my 2022 review of The Vegetarian written by today's Literature Nobel laureate Han Kang. I somehow twerpily disliked it. I'll re-read it but it's a different experience knowing 'who' the writer is now.
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@stevain
Dr. St❦fan Gugler
10 months
I call it now: Jurgen Schmidhuber will get the Nobel Peace prize.
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