iiinova — where your digital self keeps evolving

Alex Tong @alextong.bsky.social · 01/10/2026

My group is also recruiting phd students for next year checkout phd.aithyra.at if you're interested!

phd.aithyra.at

AITHYRA PhD Call 2026

Alex Tong @alextong.bsky.social · 01/10/2026

Happy to share I've been named a 2026 #AI2050 Early Career Fellow by @SchmidtSciences. I’ll investigate generative models for molecules as part of a global cohort working to ensure AI benefits society by 2050.

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Alex Tong @alextong.bsky.social · 08/04/2026

Such an incredible journey building DISCO 🪩. Love working with this team. DISCO is a co-design model with functional, de novo, new-to-nature enzymes. Huge shoutout to my co-authors for making this a reality! 🚀👇

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Alex Tong @alextong.bsky.social · 27/03/2026

Come join us in Vienna! 🇦🇹 I started via this call 6 months ago and couldn't ask for a better place to do AI/ML research. It's a highly collaborative and dynamic institute. Don't hesitate to reach out if you're thinking of applying and have questions!

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AITHYRA Research Institute of the Austrian Academy of Sciences @aithyra.bsky.social · 26/03/2026

AITHYRA is recruiting a LIFE SCIENCE PI We are interested in research questions related to one of our four core disease areas: cancer research, immunological disorders, infectious diseases, neurodevelopment disorders. Job Ad: aithyra.at/fileadmin/do... Apply by 30.4.2026 #StartingPI #LS #AITHYRA

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Alex Tong @alextong.bsky.social · 23/03/2026

6 Papers (2 Oral 4 poster) at #ICLR from my group amoung the many more from #AITHYRA. See you in Rio!

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Antonio Scialdone @antonio-scialdone.bsky.social · 23/12/2025

Great work led by @marcostock.bsky.social and Florin Ratajczak , thanks to all coauthors Paul Bertin @evahoermanseder.bsky.social @yoshuabengio.bsky.social Jason Hartford @interactome.bsky.social Matthias Heinig @alextong.bsky.social

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AITHYRA Research Institute of the Austrian Academy of Sciences @aithyra.bsky.social · 15/12/2025

AITHYRA Global Adjunct Principal Investigator Program: Advancing AI-Driven Life Science Through Global Collaborations Learn more about the Program: aithyra.at/fileadmin/do... Application Deadline, 30 January 2026: application@aithyra.at #AITHYRA #GlobalAdjunctPI

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arXiv cs.LG Machine Learning @cslg-bot.bsky.social · 11/12/2025

Danyal Rehman, Tara Akhound-Sadegh, Artem Gazizov, Yoshua Bengio, Alexander Tong: FALCON: Few-step Accurate Likelihoods for Continuous Flows arxiv.org/abs/2512.09914 arxiv.org/pdf/2512.09914 arxiv.org/html/2512.09914

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Alex Tong @alextong.bsky.social · 11/12/2025

Interesting idea! We didn't try this but this seems quite feasible as a conditional generation / inpainting problem. Would love to try it out. Also thanks for the typo catch. Will be reflected in the updated version thanks :)

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Michael Bronstein @mmbronstein.bsky.social · 10/12/2025

“One of the continuing scandals in the physical sciences is that it remains in general impossible to predict the structure of even the simplest crystalline solids” (John Maddox) OXtal is a new all-atom generative diffusion model addressing this holy grail problem

oxtal.github.io

OXtal: Generative Molecular Crystal Structure Prediction

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Alex Tong @alextong.bsky.social · 10/12/2025

Welcome to a new chapter in molecular materials design 🚀. Read the full deep dive here: oxtal.github.io 🧵8/8

oxtal.github.io

OXtal: Generative Molecular Crystal Structure Prediction

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Alex Tong @alextong.bsky.social · 10/12/2025

This work wouldn’t have been possible without a rockstar team who provided immeasurable support: @mgalkin.bsky.social, @jarridrb.bsky.social, @inequivariant.bsky.social, Santiago Miret, @francesarnold.bsky.social, @mmbronstein.bsky.social @joeybose.bsky.social

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Alex Tong @alextong.bsky.social · 10/12/2025

Transparency: CSP isn’t solved, but OXtal enables high-throughput CSP screening upstream of physics-based ranking. Future work will address ranking, sample efficiency, and most importantly, the direct design of molecular crystals ⚛️ 🧵6/8

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Alex Tong @alextong.bsky.social · 10/12/2025

To solve the "infinite lattice" problem on a GPU, we developed S4. Instead of predicting the lattice directly, we train on local neighborhoods ("shells"). We teach the model how molecules sit next to each other. At inference, global periodicity naturally emerges from these local rules. 🧵5/8

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Alex Tong @alextong.bsky.social · 10/12/2025

Organic crystals are chaotic. Unlike proteins (structured by backbones) or inorganic materials (strong bonds), organic crystals are held together by weak, finicky forces. Simulating usually requires expensive search that takes days. We wanted to do it in seconds at a fraction of the cost. 💰 🧵4/8

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Alex Tong @alextong.bsky.social · 10/12/2025

OXtal generates crystal structures conditioned on 2D molecular graphs. Trained on 600K data points, it works with: - Rigid molecules - Flexible molecules - Co-crystals Spanning applications in drug discovery 💊 and organic electronics 💡. 🧵3/8

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Alex Tong @alextong.bsky.social · 10/12/2025

How do we turn a 2D graph into a 3D crystal? OXtal makes 3 bold choices to enable scalability: 📈 Ditches explicit equivariance for scaling & soft symmetries ✨ Models growth via "Stoichiometric Stochastic Shell Sampling" (S4) 🔮Skips unit-cells to generate full supercells 🧵2/8

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Alex Tong @alextong.bsky.social · 10/12/2025

🔮Introducing OXtal – a new all-atom diffusion model for crystal structure prediction! We tackle a grand challenge in computational chemistry: predicting the structure of crystalline solids directly from their chemical composition. Paper: arxiv.org/abs/2512.06987 Blog Post: oxtal.github.io 1/8

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Vincent Pauline @vincent-pauline.bsky.social · 09/12/2025

🆕 “Foundations of Diffusion Models in General State Spaces: A Self-Contained Introduction” Huge thanks to Tobias Hoppe, @k-neklyudov.bsky.social, @alextong.bsky.social, Stefan Bauer and @andreadittadi.bsky.social for their supervision! 🙌 arxiv : arxiv.org/abs/2512.05092 🧵👇

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Alex Tong @alextong.bsky.social · 20/10/2025

#AITHYRA, Vienna's new Biomedical AI institute, is hiring Postdocs! Come work with us. Openings in: 🔹 Generative AI 🔹 Multimodal ML 🔹 Virology 🔹 Enzyme Function Apply by Nov 20: oeaw.ac.at/aithyra/post... #PostDoc #AI #ML #Vienna #ScienceJobs

oeaw.ac.at

PostDoc Search

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Kirill Neklyudov @k-neklyudov.bsky.social · 06/03/2025

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👇

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Alex Tong @alextong.bsky.social · 28/12/2024

I've spent more compute time than I care to admit calculating the likelihood under flow models. Now 5x-10x faster likelihoods for stochastic flows🤯. Check out our work on SuperDiff for a great use case of model mixing.

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Joey Bose @joeybose.bsky.social · 18/12/2024

🔊 Super excited to announce the first ever Frontiers of Probabilistic Inference: Learning meets Sampling workshop at #ICLR2025 @iclr-conf.bsky.social! 🔗 website: sites.google.com/view/fpiwork... 🔥 Call for papers: sites.google.com/view/fpiwork... more details in thread below👇 🧵

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Sander Dieleman @sedielem.bsky.social · 27/11/2024

Amazing blog post on flow matching, stunning visuals! It also makes the connection with normalising flows crystal clear. Incredible effort!

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Joey Bose @joeybose.bsky.social · 25/11/2024

Attending the Learning on Graphs conference (logconference.bsky.social) this year? Come check our introductory tutorial to building Geometric Generative Models co-delivered with Heli Ben-Hamu and Alex Tong (alextong.bsky.social) More details and forthcoming code: sites.google.com/view/ggm-log...

logconference.bsky.social

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Anirban Ray @anirbanray.bsky.social · 18/11/2024

Huge shoutout to @alextong.bsky.social for making the awesome #TorchCFM library. Repos like this really unlocks the field and reduces entry barriers for others 😇

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Gabriele Corso @gcorso.bsky.social · 17/11/2024

Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!

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