Benjamin Kurt Miller (@bkmi13) header
Benjamin Kurt Miller (@bkmi13) profile picture

FAIR Chemistry @MetaAI. Simulation-based inference. Prev @MSFTResearch, @AmlabUva, @GRAPPAinstitute.

Amsterdam, the Netherlands
Joined May 2020
Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)Photo by Benjamin Kurt Miller (@bkmi13)
Benjamin Kurt Miller retweeted
Finally able to share what we have been cooking during my time at @cartesia. Tokenization-free models are the future! We've been working on this on several modalities. I strongly believe that the highest gains will come from natural data modalities such as images and video (see end of video for a small teaser on those results). I am extremely proud of the team! 🚀 💚
I've always believed that intelligence should come from simple, general building blocks that learn their own abstractions directly from raw data; in other words, the bitter lesson. I think we're finally seeing a real step towards AI that can learn from all data. Language modeling on raw bytes is a microcosm of this ideal, and to me it's a central problem in AI: if we can't build LLMs that learn end-to-end from bytes, how will we handle the rest of the world's data that we understand even less? Last year we introduced hierarchical networks (H-Nets) as a first step. Our new version finds up to 3-5x efficiency gains in controlled scaling law experiments, and at larger scale matches an open-source model trained on 11T tokens with ~10x less data and compute. The posts below walk through what we found and why we think it works.
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Benjamin Kurt Miller retweeted
Excited to release UMA Nitro! WAY faster than the previous UMA default. For this 153 atom peptide the raw inference speed is 32 ns/day on a single H200 Getting closer to watching biology happen from atoms up with a reactive DFT level potential is incredible!!
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Benjamin Kurt Miller retweeted
⏩ Speculative Sampling For Faster Molecular Dynamics (ICML 2026) How to unlock lossless MD speedups near 10x with a new form of parallelism? Check out the comments 🧵 [1/4] Big shoutout to my Meta internship advisors @bwood_m, Ray Gao and my academic advisor @guennemann!
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Benjamin Kurt Miller retweeted
Open Molecules 2025 just got even better! We’re pleased to announce today that we significantly expanded OMol25 with 40M new datapoints. We also present our collaboration with Lawrence Livermore National Lab and Lawrence Berkeley National Lab on the Open Polymer 2026 dataset.
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Benjamin Kurt Miller retweeted
Headed to NeurIPS (the San Diego version)! A few of us from the FAIR chemistry team will be there presenting the Universal Model for Atoms (UMA). We’ve got a bunch of fun things planned — including an interactive demo — so come say hi and chat about AI for Science 🔬🤖 Here’s where you can find us: Wed @ 10:00 and 11:00 am PT Meta booth — UMA lightning talk Wed @ 4:30–7:30 pm PT Exhibit Hall C,D,E #1603 — UMA Spotlight Poster Wed–Thu Meta booth — UMA demo Also if you’re around and want to grab a coffee, let me know! ☕
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Benjamin Kurt Miller retweeted
If you are a PhD student interested in AI for chemistry/biology/materials science, come join us! We work on a range of problems from generative modeling for inverse design and sampling to interatomic potentials and electronic structure prediction. Application link below.
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Benjamin Kurt Miller retweeted
The @AIatMeta FAIR Chemistry team is excited to release the OMol25 Electronic Structures Dataset - 500 TB of electronic molecular data for the community in partnership with @BenBlaiszik's team at @argonne and @UChicago! Details: fair-chem.github.io/molecule…
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Benjamin Kurt Miller retweeted
Excited to present the FAIR Chemistry Leaderboard - a centralized space for our team’s community benchmark efforts. We’re kicking things off today with the OMol25 leaderboard! 📊Leaderboard: huggingface.co/spaces/facebo… 🖥️Code: github.com/facebookresearch/…
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Benjamin Kurt Miller retweeted
The Meta FAIR Chemistry team continues to make meaningful strides. 1️⃣ Today we’re announcing FastCSP, a workflow that generates stable crystal structures for organic molecules. This accelerates material discovery efforts and cuts down the time to design molecular crystals from months to days. Read the paper: ai.meta.com/research/publica… The workflow will be available soon here: github.com/facebookresearch/…
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Benjamin Kurt Miller retweeted
🚀Exciting news! We are releasing new UMA-1.1 models (Small and Medium) today and the UMA paper is now on arxiv! UMA represents a step-change in what’s possible with a single machine learning interatomic potential (short overview in the post below). The goal was to make a model that works out-of-the-box for materials, molecules, catalysts, and beyond, while remaining fast enough for general-purpose use. ⚡🔬 The new 1.1 models fix a bug related to size extensivity. 🛠️✅ 🧵 1/
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Benjamin Kurt Miller retweeted
We've open sourced Adjoint Sampling! It's part of a bundled release showcasing FAIR's research and open source commitment to AI for science. github.com/facebookresearch/… nitter.cf/AIatMeta/status/192269…
Announcing the newest releases from Meta FAIR. We’re releasing new groundbreaking models, benchmarks, and datasets that will transform the way researchers approach molecular property prediction, language processing, and neuroscience. 1️⃣ Open Molecules 2025 (OMol25): A dataset for molecular discovery with simulations of large atomic systems. 2️⃣ Universal Model for Atoms: A machine learning interatomic potential for modeling atom interactions across a wide range of materials and molecules. 3️⃣ Adjoint Sampling: A scalable algorithm for training generative models based on scalar rewards. 4️⃣ FAIR and the Rothschild Foundation Hospital partnered on a large-scale study that reveals striking parallels between language development in humans and LLMs. Read more ➡️ go.fb.me/q5l4cz
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Benjamin Kurt Miller retweeted
Spent the weekend hacking together Exa embeddings over 4500 NeurIPS 2024 papers - neurips.exa.ai Let's you: - do otherwise impossible searches ("transformer architectures inspired by neuroscience") - explore a 2D t-SNE plot - chat with Claude about multiple papers
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Benjamin Kurt Miller retweeted
Excited to unveil OCx24, a two-year effort with @UofT and @VSParticle! We've synthesized and tested in the lab hundreds of metal alloys for catalysis. With 685 million AI-accelerated simulations, we analyzed 20,000 materials to try and bridge simulation and reality. Paper: arxiv.org/abs/2411.11783 Dataset: fair-chem.github.io/core/dat… Blogpost: ai.meta.com/blog/open-cataly…
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Benjamin Kurt Miller retweeted
New paper again: in this study, we explore how ML can benefit numerical relativity simulations, when generating a training dataset is prohibitively expensive. The answer we came out with is super-resolution + constrained optimization! arxiv.org/abs/2411.02453
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Benjamin Kurt Miller retweeted
New paper out! We introduce “Generator Matching” (GM), a method to build GenAI models for any data type (incl. multimodal) with any Markov process. GM unifies a range of state-of-the-art models and enables new designs of generative models. arxiv.org/abs/2410.20587 (1/5)
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Congratulations to the brilliant Dr Banafsheh Shiralilou ⁦@GRAPPAinstitute⁩ @IoP_UvA ⁦@UvA_Science⁩ on her defence today “from black holes to cosmology.” It has been such a joy & honour to be Banafsheh’s PhD supervisor with Tanja Hinderer, & I am so grateful …
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