Mark Neumann (@markneumannnn) 's Twitter Profile
Mark Neumann

@markneumannnn

Head of ML at Orbital Materials. BC: Research/Eng at @allenai_org

ID: 2491974073

linkhttp://markneumann.xyz calendar_today12-05-2014 21:03:09

1,1K Tweet

3,3K Takipçi

1,1K Takip Edilen

Corin Wagen (@corinwagen) 's Twitter Profile Photo

If you're interested in running Orb-v3 but don't want to build your own computational stack, try Rowan! Orb-v3 should go live for all Rowan users in 30–45 minutes. We hope to run this model through our own set of benchmarks within the next week or so—stay tuned!

Corin Wagen (@corinwagen) 's Twitter Profile Photo

Orb-v3 is now live for all Rowan users! Here's a video of me optimizing a 1H-pyrazole crystal structure w/ Orb-v3 (a task that might take many hours with DFT). (video lightly edited and sped up, because your time is valuable!)

Mark Neumann (@markneumannnn) 's Twitter Profile Photo

These out of domain evaluations (at least for Orb-v3, trained on bulk periodic materials) look very promising - great to see this type of generalization, and very nice that we can compare across different functionals. Onward and up (the DFT ladder)! Check them out on Rowan

Joseph Allen (@j_g_allen) 's Twitter Profile Photo

Fixed it: --> last year, the U.S. sold more educational services to the rest of the world than it sold in natural gas and coal **combined** --> every $1 of research funded by NIH generates $2.56 in economic activity --> more than 1.1M foreign students come to the U.S. each year

Fixed it:
--> last year, the U.S. sold more educational services to the rest of the world than it sold in natural gas and coal **combined**
--> every $1 of research funded by NIH generates $2.56 in economic activity
--> more than 1.1M foreign students come to the U.S. each year
Eli Mann (@manntis4) 's Twitter Profile Photo

I'm excited to announce the release of the Egret-1 family of neural network potentials (NNPs) at Rowan! These models approach or exceed DFT accuracy for energies and forces on bioorganic molecules and are 2–6 orders of magnitude faster (depending on system size). 🧵1/6

I'm excited to announce the release of the Egret-1 family of neural network potentials (NNPs) at <a href="/RowanSci/">Rowan</a>!

These models approach or exceed DFT accuracy for energies and forces on bioorganic molecules and are 2–6 orders of magnitude faster (depending on system size).

🧵1/6
Mark Neumann (@markneumannnn) 's Twitter Profile Photo

Does anyone know of any papers which analyse what happens if you train a latent diffusion model on a VAE or VQVAE with no bottleneck? I am interested to know what happens in the circumstance that your VAE has a degenerate latent space.

Dr. Kamal Choudhary (@dr_k_choudhary) 's Twitter Profile Photo

Delighted to see our paper published: CHIPS-FF: Evaluating Universal Machine Learning Force Fields for Material Properties pubs.acs.org/doi/10.1021/ac… #CHIPSact #jarvisnist #mlff

Delighted to see our paper published:
CHIPS-FF: Evaluating Universal Machine Learning Force Fields for Material Properties
pubs.acs.org/doi/10.1021/ac…
#CHIPSact #jarvisnist #mlff
Mark Neumann (@markneumannnn) 's Twitter Profile Photo

Small step toward justice for Rümeysa Öztürk Glad to see the judicial branch of govt (barely) keeping the executive in check in these unbelievable cases theguardian.com/us-news/2025/m…

Hannes Stärk (@hannesstaerk) 's Twitter Profile Photo

Tomorrow Tim Duignan joins us to discuss "Orb-v3: atomistic simulation at scale" arxiv.org/abs/2504.06231 and surrounding models to get our understanding of that field up to date! On Zoom 9am PT / 12pm ET / 6pm CEST: portal.valencelabs.com/starklyspeaking

Tomorrow <a href="/TimothyDuignan/">Tim Duignan</a> joins us to discuss "Orb-v3: atomistic simulation at scale" arxiv.org/abs/2504.06231 and surrounding models to get our understanding of that field up to date!

On Zoom 9am PT / 12pm ET / 6pm CEST: portal.valencelabs.com/starklyspeaking
Mark Neumann (@markneumannnn) 's Twitter Profile Photo

In the future anthropologists will study how Dishoom invaded the American cultural psyche, absolutely fascinating - literally every other American visiting London will tell you they want to go Dishoom is fine, but please visit Tayyabs or Lahore Kebab House instead/ as well

Mark Neumann (@markneumannnn) 's Twitter Profile Photo

Very cool paper (almost directly refuting a blog post I recently wrote about people not training conservative diffusion models). Would love to know if this scales, would be super cool if it does

Giannis Daras (@giannis_daras) 's Twitter Profile Photo

Announcing Ambient Diffusion Omni — a framework that uses synthetic, low-quality, and out-of-distribution data to improve diffusion models. State-of-the-art ImageNet performance. A strong text-to-image results in just 2 days on 8 GPUs. Filtering ❌ Clever data use ✅

Announcing Ambient Diffusion Omni — a framework that uses synthetic, low-quality, and out-of-distribution data to improve diffusion models.

State-of-the-art ImageNet performance. A strong text-to-image results in just 2 days on 8 GPUs.

Filtering ❌
Clever data use ✅