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Marta Skreta

@martaowesyou

UofT CompSci PhD Student in Alán Aspuru-Guzik's #matterlab and Vector Institute | prev. Apple

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Latest posts by Marta Skreta @martaowesyou

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📄📄📄 The AI4Mat-NeurIPS-2025 workshop is now open for submissions until August 22, 2025 (AOE)!

Consider submitting full-length papers or shorter-length findings. We also have a special track for papers on benchmarking AI for materials design.

sites.google.com/view/ai4mat/...

05.08.2025 06:55 👍 7 🔁 3 💬 2 📌 1
Singapore EXPO sign outside of the convention center where ICLR was held.

Singapore EXPO sign outside of the convention center where ICLR was held.

Co-organizer photo with Santiago, myself, and Marta at the end of the workshop.

Co-organizer photo with Santiago, myself, and Marta at the end of the workshop.

Thanks to all the speakers and participants for the engaging discussions today, and for making the AI4Mat@ICLR 2025 workshop a great success! Thanks also to Santiago, @martaowesyou.bsky.social, and the rest of the co-organizing team for the effort putting this together. Great to be a part of it!

28.04.2025 10:42 👍 11 🔁 1 💬 0 📌 0
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One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions General parameters are highly desirable in the natural sciences - e.g., chemical reaction conditions that enable high yields across a range of related transformations. This has a significant practical...

🚀 Looking for reaction conditions that work well for multiple substrates? CurryBO can help🍛

Now out on arXiv: arxiv.org/abs/2502.18966

A short explanation thread 👇

03.03.2025 09:06 👍 14 🔁 10 💬 1 📌 1

We at @digital-discovery.bsky.social are very happy to announce a new paper type called "Commit". Inspired by version control systems such as git, the idea is that if you have an update on a short and pointed publication, you can send it as a commit. We envision commits to be co-cited with the

24.01.2025 19:37 👍 86 🔁 15 💬 8 📌 5
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Self-driving laboratories, advanced immunotherapies and five more technologies to watch in 2025 Sustainability and artificial intelligence dominate our seventh annual round-up of exciting innovations.

Excited to have #selfdrivinglaboratories listed as one of the seven technologies to watch in 2025 by @nature.com Thanks to the #matterlab, the @accelerationc.bsky.social and of course all the global community on SDLs! @uoft.bsky.social @vectorinst.bsky.social l

www.nature.com/articles/d41...

21.01.2025 02:15 👍 43 🔁 16 💬 0 📌 0
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"The Superposition of Diffusion Models using the Îto Density Estimator" (@martaowesyou.bsky.social, @lazaratan.bsky.social et al.)
It's nice to see an easy-to-compute log-likelihood estimator for SDE sampling of diffusion models (not just ODE)

📄 arxiv.org/abs/2412.17762
🐍 github.com/necludov/sup...

05.01.2025 10:22 👍 22 🔁 4 💬 0 📌 0

New paper just dropped! How do you combine pre-trained diffusion models without having to train a new one 🤓?

Turns out you can use our all new Ito density estimator 🔥 to compute densities under a diffusion model efficiently 🚀!

28.12.2024 16:43 👍 20 🔁 5 💬 0 📌 0
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The Superposition of Diffusion Models Using the Itô Density Estimator The Cambrian explosion of easily accessible pre-trained diffusion models suggests a demand for methods that combine multiple different pre-trained diffusion models without incurring the significant co...

Work with an absolute dream of a team: @lazaratan.bsky.social @joeybose.bsky.social @alextong.bsky.social and @k-neklyudov.bsky.social 🤗🚀⚡️

📄Paper: arxiv.org/abs/2412.17762
💻Code: github.com/necludov/sup...
🤗HuggingFace: huggingface.co/superdiff

28.12.2024 19:53 👍 6 🔁 2 💬 0 📌 0

Super super excited to share our work SuperDiff 🦹‍♀️ for superimposing pretrained diffusion models at inference time 💪

Check out the 🧵 to see how we superimposed proteins as well as images, all thanks to a fast new density estimator. Curious to see what 🍩 & 🗺️ would produce?

28.12.2024 19:53 👍 23 🔁 3 💬 1 📌 0

exciting new workshop announcement!! join us in Singapore for Frontiers in Probabilistic Inference: Learning Meets Sampling 🌏⚡️😃 details below 👇 #ICLR2025

18.12.2024 20:38 👍 9 🔁 2 💬 0 📌 0
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3/3 🧵Work with my fellow Matter Lab quantum tunnelers: Philipp Schleich, Lasse B. Kristensen, @rovargash.bsky.social, @aspuru.bsky.social

📜 https://buff.ly/4iu8w6M
💻 https://buff.ly/3D9HaD2

See you at NeurIPS!

09.12.2024 08:39 👍 1 🔁 1 💬 0 📌 0
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2/3 🧵Here, we enter the quantumverse with deep equilibrium networks, where we demonstrate that a single layer of a quantum circuit can perform as well or better than multiple independent layers when trained like a DEQ.

09.12.2024 08:39 👍 0 🔁 0 💬 1 📌 0
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1/3 🧵Quantum conundrum: we want expressive circuits, but current hardware only allows short coherence times, and so more parameters = more problems. Check out our #NeurIPS2024 paper “Quantum Deep Equilibrium Models”.

09.12.2024 08:39 👍 13 🔁 6 💬 1 📌 1