Adji Bousso Dieng

Highly Accurate and Fast Prediction of MOF Free Energy Via Machine Learning https://dx.doi.org/10.26434/chemrxiv-2025-93xmj?rft_dat=source%3Ddrss

#NewPaper A major development in the design and discovery of metal-organic frameworks (MOFs)! Thread below 👇👇👇 1/4

I'll be presenting at ESA this year. Hope to meet you there. There's a ton of exciting things to talk about!

1. Shouldn't papers report different metrics when they report functional diversity instead of reporting 1 index, e.g, Rao's Q?
2. Maybe there's a way to capture the different aspects of functional diversity in one index. If yes, what would such an index look like? We have some ongoing work on this

We definitely agree! I think this is what's reflected in the paper. We agree it's hard to capture all aspects of functional diversity in one index. This brings to mind a few things that I'll keep thinking about for work in this space:

Hello Carlos! Thanks for the comment. We did mention that functional diversity is multifaceted and described in the paper the different facets of functional diversity. We did not just test on richness.

Hello Carlos! Thanks for the comment. We did mention that functional diversity is multifaceted and described in the paper the different facets of functional diversity. We did not just test on richness.

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The new application deadline is June 30, 2025
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Hello #MLSky! A new class of generative models for you! Check out Alternators 🌀 They outperform Mambas and diffusion models on time-dependent modeling tasks. I am excited about all the possibilities with this new class of models. #Alternators #GenAI

Meet another one of our graduating undergrads, Aminah Aliu🐯🧡

For her thesis, Aminah leveraged the Vendi Score & the Vendiscope to study embedding models on Yoruba datasets.

She was 1 of four Princeton students nominated for the CRA Undergraduate Research Award and won an honorable mention. 1/2

The Princeton Class of 2025 is being hooded today. Meet one of our graduating undergrads, Ian Fernandes! He worked on modeling SEPs using Machine Learning at NASA. He's joining Microsoft. Congratulations, Ian, we are proud of you 🐯🧡 #Vertaix #AI4Science

Africa Day 2025 marks a powerful moment of reflection and action. This year’s theme, “Justice for Africans and People of African Descent through Reparations,” calls for truth, accountability, and economic restoration.

Happy anniversary, @theafricaiknow.bsky.social 💚

🌍 Follow our page to support the work we do to inspire, inform, and educate young Africans on #STEM. #Education

🚀 Curious about Artificial Intelligence but not sure where to start?
Whether you're in high school or a first-year university student in Ethiopia or Cameroon, the TAIK AI Camp 2025 is your chance to dive into the world of AI! #TAIKinspires #TAIKeducates #TAIKinforms #TAIKAfrica #TAIKAIcamp

#NewPaper We revisit Shannon's mutual information, highlight its shortcomings, and propose a novel alternative to it, called the Vendi Information Gain (VIG), using the Vendi Score. #InformationTheory #Diversity
By: Quan Nguyen & @adjiboussodieng.bsky.social
Link to paper: arxiv.org/abs/2505.09007

Siwoo Lee, Adji Bousso Dieng: MuAPBEK: An Improved Analytical Kinetic Energy Density Functional for Quantum Chemistry https://arxiv.org/abs/2505.04559 https://arxiv.org/pdf/2505.04559 https://arxiv.org/html/2505.04559

Thank you @piermorgante.bsky.social ! Tagging the main author @andreniyongabo.bsky.social

I couldn't think of a greater way to start the week: "LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction" (@adjiboussodieng.bsky.social and @jae3goals.bsky.social) is out in #MachineLearningScienceandTechnology 🤩 #EditorsLife
iopscience.iop.org/article/10.1...

Poster promoting an event from the Royal Society of Chemistry, "RSC Desktop Seminar: Americas Emerging Investigators - AI and Machine Learning II" on Monday 14 April 2025, 12pm EST or 5pm UK time

Join us April 14 for the RSC Americas Emerging Investigators webinar on AI/ML in Chemistry! Featuring talks from Jolene Reid (UBC), César de la Fuente (UPenn) @delafuentelab.bsky.social, Adji Bousso Dieng (Princeton) @adjiboussodieng.bsky.social, and Connor Coley (MIT)
rsc.zoom.us/webinar/regi...

Mar 12, 3pm: AC seminar with Adji Bousso Dieng Join us online or in-person for the Acceleration Consortium’s (AC) next seminar of 2025.

Not subscribed to our #substack? You can read the latest edition to learn about our next AC seminar w/ @adjiboussodieng.bsky.social on Mar 12, our summer undergrad research program, our call for abstracts for the annual Accelerate conference + more.

#NewPaper We designed an "algorithmic microscope" & called it the Vendiscope. It is a new companion in the discovery process for scientists across fields and a powerful tool for diagnosing datasets and models for AI researchers. #AlgorithmicMicroscopy

Link to paper: arxiv.org/abs/2502.10828

#NewPaper How do you design generative models for sequence data that are robust to varying noise levels in time? Use the Vendi Score! Check out our new paper introducing the $\alpha$-Alternator, which outperforms popular models such as Mambas on forecasting.

Link to paper: arxiv.org/abs/2502.04593

Vendi-RAG: Adaptively Trading-Off Diversity And Quality Significantly Improves Retrieval Augmented Generation With LLMs Retrieval-augmented generation (RAG) enhances large language models (LLMs) for domain-specific question-answering (QA) tasks by leveraging external knowledge sources. However, traditional RAG systems ...

#NewPaper Introducing Vendi-RAG, a novel RAG pipeline that uses the Vendi Score to balance diversity and relevance in retrieval. This leads to a significant performance boost in multi-hop QA.

Link to paper: arxiv.org/abs/2502.11228
Authors: Mohammad Reza Rezaei and @adjiboussodieng.bsky.social

📅 March 12, 3 PM EST: How can diversity be quantified in scientific data, and why does it matter?

Join our next #ACSeminar led by @adjiboussodieng.bsky.social (Princeton) on Vendi Scoring—a new approach to understanding variation in data-driven discovery

Register: airtable.com/appYBjHgttvB...

Looking forward to finding new ecology papers to read from the folks in this pack! bsky.app/starter-pack...
DM @global-ecology.bsky.social to join. We @vertaix.bsky.social will make sure to share our work on the Vendi Scores with you. Stay tuned! #EcoEvoSky

Congrats to @adjiboussodieng.bsky.social on being named an Early-Career Distinguished Presenter at the MRS Spring Meeting 2025! This honor is meant to highlight exciting new research directions in materials science. 🐯 #ChemScky #Princeton #VendiScoring #MatSci
www.cs.princeton.edu/news/adji-bo...