Travel grant applications now open for #AI4Mat @ #NeurIPS2025. We will award grants based on contributions to the workshop, professional growth opportunity, and individual need. Please fill in the application form by Nov 7th to be considered. 💸💰✈️
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
AI4Mat-NeurIPS 2025
About the Workshop
sites.google.com
October 16, 2025 at 3:02 PM
Travel grant applications now open for #AI4Mat @ #NeurIPS2025. We will award grants based on contributions to the workshop, professional growth opportunity, and individual need. Please fill in the application form by Nov 7th to be considered. 💸💰✈️
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
Just 5 days left to submit your work to AI4Mat-NeurIPS-2025!!!! ⌛📃
Note that the deadline was extended (by 1 day) to August 23rd, 2025 (AOE).
Note that the deadline was extended (by 1 day) to August 23rd, 2025 (AOE).
📄📄📄 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/...
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/...
August 18, 2025 at 6:22 PM
Just 5 days left to submit your work to AI4Mat-NeurIPS-2025!!!! ⌛📃
Note that the deadline was extended (by 1 day) to August 23rd, 2025 (AOE).
Note that the deadline was extended (by 1 day) to August 23rd, 2025 (AOE).
We are still welcoming registrations from prospective reviewers! Fill in the form below if interested:
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
August 5, 2025 at 6:56 AM
We are still welcoming registrations from prospective reviewers! Fill in the form below if interested:
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
📄📄📄 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/...
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/...
August 5, 2025 at 6:56 AM
📄📄📄 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/...
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/...
Special thanks to our sponsors: Intel Labs, AbbVie, @lilasciences.bsky.social, @futurehousesf.bsky.social, and @schmidtsciences.bsky.social.
Thank you for supporting the AI4Mat workshop!!!
Thank you for supporting the AI4Mat workshop!!!
July 10, 2025 at 5:31 PM
Special thanks to our sponsors: Intel Labs, AbbVie, @lilasciences.bsky.social, @futurehousesf.bsky.social, and @schmidtsciences.bsky.social.
Thank you for supporting the AI4Mat workshop!!!
Thank you for supporting the AI4Mat workshop!!!
AI4Mat is also actively looking for reviewers to join the program committee for the workshop. We encourage all interested researchers to apply!
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
July 10, 2025 at 5:31 PM
AI4Mat is also actively looking for reviewers to join the program committee for the workshop. We encourage all interested researchers to apply!
sites.google.com/view/ai4mat/...
sites.google.com/view/ai4mat/...
Save the date for the following important deadlines if you are interested in submitting your work, & please spread the word!
👉Submission Portal Open: August 4th, 2025
👉Submission Deadline: August 22nd, 2025 (AOE)
👉Author Notification Deadline: September 22nd, 2025
sites.google.com/view/ai4mat/...
👉Submission Portal Open: August 4th, 2025
👉Submission Deadline: August 22nd, 2025 (AOE)
👉Author Notification Deadline: September 22nd, 2025
sites.google.com/view/ai4mat/...
July 10, 2025 at 5:31 PM
Save the date for the following important deadlines if you are interested in submitting your work, & please spread the word!
👉Submission Portal Open: August 4th, 2025
👉Submission Deadline: August 22nd, 2025 (AOE)
👉Author Notification Deadline: September 22nd, 2025
sites.google.com/view/ai4mat/...
👉Submission Portal Open: August 4th, 2025
👉Submission Deadline: August 22nd, 2025 (AOE)
👉Author Notification Deadline: September 22nd, 2025
sites.google.com/view/ai4mat/...
Happy to share the AI for Accelerated Materials Design (AI4Mat) workshop was accepted at NeurIPS 2025, to be held Dec 6 or 7, 2025 in San Diego!!! 🥳🥳🥳
sites.google.com/view/ai4mat
sites.google.com/view/ai4mat
July 10, 2025 at 5:31 PM
Happy to share the AI for Accelerated Materials Design (AI4Mat) workshop was accepted at NeurIPS 2025, to be held Dec 6 or 7, 2025 in San Diego!!! 🥳🥳🥳
sites.google.com/view/ai4mat
sites.google.com/view/ai4mat
🚀 Thrilled to introduce Open Materials Generation (OMatG), a state of the art framework for generative design of inorganic crystalline materials! Accepted at #ICML2025 & Spotlight at #AI4Mat @ICLR2025!
🔬 OMatG unifies flow matching & score-based diffusion, outperforming FlowMM and FlowLLM!
🔬 OMatG unifies flow matching & score-based diffusion, outperforming FlowMM and FlowLLM!
May 7, 2025 at 2:13 AM
Equivariance is dead - long live equivariance? Scaling pure Transformers is the future of molecular generative models?
I think its a lot more nuanced -- I tried to give some perspectives in my spotlight talk at #ICLR2025 AI4Mat Workshop last week
Full video here: youtu.be/NiY4NLzemnU?...
I think its a lot more nuanced -- I tried to give some perspectives in my spotlight talk at #ICLR2025 AI4Mat Workshop last week
Full video here: youtu.be/NiY4NLzemnU?...
All-atom Diffusion Transformers - Chaitanya K. Joshi - ICLR 2025 AI4Mat Spotlight
YouTube video by Chaitanya K. Joshi
youtu.be
May 5, 2025 at 9:44 AM
Equivariance is dead - long live equivariance? Scaling pure Transformers is the future of molecular generative models?
I think its a lot more nuanced -- I tried to give some perspectives in my spotlight talk at #ICLR2025 AI4Mat Workshop last week
Full video here: youtu.be/NiY4NLzemnU?...
I think its a lot more nuanced -- I tried to give some perspectives in my spotlight talk at #ICLR2025 AI4Mat Workshop last week
Full video here: youtu.be/NiY4NLzemnU?...
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!
April 28, 2025 at 10:42 AM
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!
April 28, 2025 at 12:38 AM
6/n
I’ll be presenting this work at:
🧬 GEMbio workshop: Sun 27th (Hall 4#4)
🔬 AI4Mat workshop: Mon 28th (Topaz Concourse).
If you're around #ICLR2025, let’s chat! 😊
I’ll be presenting this work at:
🧬 GEMbio workshop: Sun 27th (Hall 4#4)
🔬 AI4Mat workshop: Mon 28th (Topaz Concourse).
If you're around #ICLR2025, let’s chat! 😊
April 24, 2025 at 7:14 AM
6/n
I’ll be presenting this work at:
🧬 GEMbio workshop: Sun 27th (Hall 4#4)
🔬 AI4Mat workshop: Mon 28th (Topaz Concourse).
If you're around #ICLR2025, let’s chat! 😊
I’ll be presenting this work at:
🧬 GEMbio workshop: Sun 27th (Hall 4#4)
🔬 AI4Mat workshop: Mon 28th (Topaz Concourse).
If you're around #ICLR2025, let’s chat! 😊
ICLR Singapore 🇸🇬
Hit me up to talk about neural samplers and anything to replace molecular dynamics ⚛️
Also I'll talk about how to speedup molecular dynamics using deep equilibrium models (borrowing ideas from DFT)
➡️ AI4Mat Workshop, 28th 11:00 a.m.
Hit me up to talk about neural samplers and anything to replace molecular dynamics ⚛️
Also I'll talk about how to speedup molecular dynamics using deep equilibrium models (borrowing ideas from DFT)
➡️ AI4Mat Workshop, 28th 11:00 a.m.
April 22, 2025 at 9:08 AM
ICLR Singapore 🇸🇬
Hit me up to talk about neural samplers and anything to replace molecular dynamics ⚛️
Also I'll talk about how to speedup molecular dynamics using deep equilibrium models (borrowing ideas from DFT)
➡️ AI4Mat Workshop, 28th 11:00 a.m.
Hit me up to talk about neural samplers and anything to replace molecular dynamics ⚛️
Also I'll talk about how to speedup molecular dynamics using deep equilibrium models (borrowing ideas from DFT)
➡️ AI4Mat Workshop, 28th 11:00 a.m.
Especially excited about all the awesome workshops like AI4NA, GEMBio, LMRL, MLGenX, AI4Mat, XAI4Science and probably many more!
(PS. what if the whole conference were workshops? ;)
(PS. what if the whole conference were workshops? ;)
April 20, 2025 at 11:35 AM
Especially excited about all the awesome workshops like AI4NA, GEMBio, LMRL, MLGenX, AI4Mat, XAI4Science and probably many more!
(PS. what if the whole conference were workshops? ;)
(PS. what if the whole conference were workshops? ;)
I'll be at #ICLR2025 🇸🇬 in Singapore next week:
- gRNAde - 🌟 Spotlight poster no.616 - 25th, Fri 10am
- All-atom Diffusion Transformer - 🌟 Spotlight talk at AI4Mat workshop - 28th, Sun 3.30pm
- 28th, Sun all day - Organizing AI for Nucleic Acids workshop
See you soon in Sg! 👋
- gRNAde - 🌟 Spotlight poster no.616 - 25th, Fri 10am
- All-atom Diffusion Transformer - 🌟 Spotlight talk at AI4Mat workshop - 28th, Sun 3.30pm
- 28th, Sun all day - Organizing AI for Nucleic Acids workshop
See you soon in Sg! 👋
April 20, 2025 at 11:35 AM
I'll be at #ICLR2025 🇸🇬 in Singapore next week:
- gRNAde - 🌟 Spotlight poster no.616 - 25th, Fri 10am
- All-atom Diffusion Transformer - 🌟 Spotlight talk at AI4Mat workshop - 28th, Sun 3.30pm
- 28th, Sun all day - Organizing AI for Nucleic Acids workshop
See you soon in Sg! 👋
- gRNAde - 🌟 Spotlight poster no.616 - 25th, Fri 10am
- All-atom Diffusion Transformer - 🌟 Spotlight talk at AI4Mat workshop - 28th, Sun 3.30pm
- 28th, Sun all day - Organizing AI for Nucleic Acids workshop
See you soon in Sg! 👋
Did a brief read-through of the accepted workshop list...
link to the canvas below ↓
muse.ramith.fyi/335aeef66ec1...
link to the canvas below ↓
muse.ramith.fyi/335aeef66ec1...
December 30, 2024 at 2:03 PM
Did a brief read-through of the accepted workshop list...
link to the canvas below ↓
muse.ramith.fyi/335aeef66ec1...
link to the canvas below ↓
muse.ramith.fyi/335aeef66ec1...
Kudos and special shout out to the #AI4Mat workshop, who packed a full house yesterday. If you missed the workshops, check out some exciting papers in the #MachineLearningScienceandTechnology journal (iopscience.iop.org/collections?...) 🥳
IOPscienceSearchNext 10 results
iopscience.iop.org
December 16, 2024 at 2:19 AM
Kudos and special shout out to the #AI4Mat workshop, who packed a full house yesterday. If you missed the workshops, check out some exciting papers in the #MachineLearningScienceandTechnology journal (iopscience.iop.org/collections?...) 🥳
🚨Come chat with us about
SPECTRA-to-MOLECULE !!
Kudos to the team and @rudra_sondhi
#AI4MAT at #nuerips2024
doi.org/10.26434/chemr…
SPECTRA-to-MOLECULE !!
Kudos to the team and @rudra_sondhi
#AI4MAT at #nuerips2024
doi.org/10.26434/chemr…
December 14, 2024 at 9:28 PM
🚨Come chat with us about
SPECTRA-to-MOLECULE !!
Kudos to the team and @rudra_sondhi
#AI4MAT at #nuerips2024
doi.org/10.26434/chemr…
SPECTRA-to-MOLECULE !!
Kudos to the team and @rudra_sondhi
#AI4MAT at #nuerips2024
doi.org/10.26434/chemr…
Join us for the #AI4Mat workshop at #NeurIPS2024 today and check out our spotlight on how we built the most diverse database for AI for materials in the world openreview.net/forum?id=b8q...
December 14, 2024 at 2:34 PM
Join us for the #AI4Mat workshop at #NeurIPS2024 today and check out our spotlight on how we built the most diverse database for AI for materials in the world openreview.net/forum?id=b8q...
A delight to finally meet (in person) the one and only @kylecranmer.bsky.social at #NeurIPS2024 Super excited for the #AI4Mat workshop tomorrow and #MachineLearning for the #PhysicalSciences on Sunday!!! #MachineLearningScienceandTechnology
December 14, 2024 at 12:22 AM
A delight to finally meet (in person) the one and only @kylecranmer.bsky.social at #NeurIPS2024 Super excited for the #AI4Mat workshop tomorrow and #MachineLearning for the #PhysicalSciences on Sunday!!! #MachineLearningScienceandTechnology
This year, we’re following this work with “SAFE setup for generative molecular design”. Come and find us tomorrow at the AI4Mat workshop at 12 PM PT in the West Meeting Room (211-214).
Read the paper: arxiv.org/abs/2410.20232
Read the paper: arxiv.org/abs/2410.20232
SAFE setup for generative molecular design
SMILES-based molecular generative models have been pivotal in drug design but face challenges in fragment-constrained tasks. To address this, the Sequential Attachment-based Fragment Embedding (SAFE) ...
arxiv.org
December 13, 2024 at 11:12 PM
This year, we’re following this work with “SAFE setup for generative molecular design”. Come and find us tomorrow at the AI4Mat workshop at 12 PM PT in the West Meeting Room (211-214).
Read the paper: arxiv.org/abs/2410.20232
Read the paper: arxiv.org/abs/2410.20232
My inaugural bluesky post!
I'm going to be at #NeurIPS in Vancouver 🇨🇦 and presenting a spotlight talk at the AI4Mat workshop!
If you're around, please say hi!
I'm going to be at #NeurIPS in Vancouver 🇨🇦 and presenting a spotlight talk at the AI4Mat workshop!
If you're around, please say hi!
December 12, 2024 at 3:11 PM
My inaugural bluesky post!
I'm going to be at #NeurIPS in Vancouver 🇨🇦 and presenting a spotlight talk at the AI4Mat workshop!
If you're around, please say hi!
I'm going to be at #NeurIPS in Vancouver 🇨🇦 and presenting a spotlight talk at the AI4Mat workshop!
If you're around, please say hi!
Diffusion models for crystals show great promise, but mostly don't generate samples with realistic symmetries—a defining property of crystals!
We tackled this with SymmCD, leveraging space groups, Wyckoff positions and asymmetric units. Catch @dnllvy.bsky.social spotlight at AI4Mat to learn more 🌟
We tackled this with SymmCD, leveraging space groups, Wyckoff positions and asymmetric units. Catch @dnllvy.bsky.social spotlight at AI4Mat to learn more 🌟
I'm at #NeurIPS2024 this week, presenting our work SymmCD at the #AI4Mat workshop! It's a new diffusion model for crystals that bakes in the crystallographic symmetry.
openreview.net/forum?id=V7x...
Come check it out, and feel free to message me if you want to chat!
openreview.net/forum?id=V7x...
Come check it out, and feel free to message me if you want to chat!
December 11, 2024 at 3:19 PM
Diffusion models for crystals show great promise, but mostly don't generate samples with realistic symmetries—a defining property of crystals!
We tackled this with SymmCD, leveraging space groups, Wyckoff positions and asymmetric units. Catch @dnllvy.bsky.social spotlight at AI4Mat to learn more 🌟
We tackled this with SymmCD, leveraging space groups, Wyckoff positions and asymmetric units. Catch @dnllvy.bsky.social spotlight at AI4Mat to learn more 🌟