Anders Larsen
@AndersSL
Science and machine learning
Really happy that our paper on solving the crystallographic phase problem using neural networks is out in @ScienceMagazine. Thanks to @mol_crystal_guy and @AndersOMadsen for a great collaboration. science.org/doi/10.1126/sc…
Scalable emulation of protein equilibrium ensembles with generative deep learning => now out in Science Magazine! science.org/doi/10.1126/sc…
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT. ⚛️🔥🧪🧬
Join us to work on LLMs for drug discovery, including scaling/optimizing large model training and inference workflows on our cutting-edge infrastructure, pre-training, post-training, and multimodal learning and integrating non-text modalities. apply.deshawresearch.com/careers/Regist…
btw, i wrote a post about "how to scale" based on what i've learned over the past few months. it covers muP, HP scaling laws, and some stuffs. would be happy to get any feedback or discussion. (it's pretty verbose and no TL;DR, sorry lol) howtoscalenn.github.io
New blog post: let's talk about latents! sander.ai/2025/04/15/lat…
New paper - Transformers, but without normalization layers (1/n)
A thread on our new paper Thermodynamic Bayesian Inference 250 years later, Bayes’s theorem is still the gold standard for probabilistic reasoning. But for complicated models it’s too hard to implement exactly, so approximations are used. For example, the complexity of Bayesian…
Data generation through simulation is one reason why the whole idea of ML for science is so exciting.
The problems in a domain that you can simulate, can be solved by AI since you can create unlimited training data. This is true for games (think go, dota, etc), simple physical simulations, programming/coding environments and eventually more complex biological systems.
For too long, users have lived under the software lottery tyranny of fused attention implementations. No longer. Introducing FlexAttention, a new PyTorch API allowing for many attention variants to enjoy fused kernels in a few lines of PyTorch. pytorch.org/blog/flexatten… 1/10
This is exactly what I hate with all big frameworks. TF is terrible. PyTorch used to be straightforward but turned terrible too. Torch7 was very direct. JAX/Flax still ok, but I pray every day that it doesn’t end up with the same fate over time.
Have you ever wanted to train LLMs in pure C without 245MB of PyTorch and 107MB of cPython? No? Well now you can! With llm.c: github.com/karpathy/llm.c To start, implements GPT-2 training on CPU/fp32 in only ~1,000 lines of clean code. It compiles and runs instantly, and exactly…
Tried to capture why I’m so excited about NNPs. I honestly think they are a profoundly useful tool.
The Potential of #Neural Network Potentials A perspective from Timothy Duignan @TimothyDuignan @Griffith_Uni 🔓 Open access in ACS Physical Chemistry Au 👉 go.acs.org/8zg
I'll give this #PhD opportunity in computational materials chemistry another push. Apply or get in touch if interested. findaphd.com/phds/project/g…
I wrote about the effort to decipher sperm whale language with artificial intelligence. I reached out to philosophers, linguists, animal rights lawyers, marine biologists, field scientists who specialize in whales, and paleontologists. Assume that this works, I told them.…
2023 Small Molecule Approvals! @drughuntersite A lot of fascinating firsts in 2023 including: -The first FDA-approved oral ER degrader -The first FDA-approved reversible BTK inhibitor -The first FDA-approved gamma-secretase inhibitor (not in Alzheimer’s!) -A reversible…
Proud to announce a huge QM data dump for ML training, related to our ANI-2x paper pubs.acs.org/doi/10.1021/ac… 1/n
Here is an implementation of Mamba 🐍 in pure PyTorch using a parallel scan. It offers a nice tradeoff between performance and readability, being only composed of 2 files. >> github.com/alxndrTL/mamba… << @_albertgu @tri_dao