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Vertaix (AI&Science Lab at Princeton University)

@vertaix.bsky.social
1.1K followers 24 following 27 posts

Research lab at Princeton University led by @adjiboussodieng.bsky.social. We work at the intersection of artificial intelligence (AI) and the natural sciences. Visit vertaix.princeton.edu to learn more. #AI4Science

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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 03/11/2025
Our paper on MuAPBEK, a new density functional for quantum chemistry has been published in the Journal of Chemical Physics (JChemPhys or JCP) 🎉 Check it out: pubs.aip.org/aip/jcp/arti...
pubs.aip.org
MuAPBEK: An improved analytical kinetic energy density functional for quantum chemistry
Orbital-free density functional theory (OFDFT) enables full quantum-mechanical simulations based solely on electron densities but is limited by the lack of accu
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 05/10/2025
In our #NewPaper, we showcase the Vendi Score in genomic epidemiology, showing how you can use it to detect new COVID-19 variants before formal identification. Check it out! #Ecology #Genomics #Health Preprint: arxiv.org/abs/2509.22520
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 28/08/2025
Check out our Adji Bousso Dieng's interview with French newspaper Le Monde on #AI, #Africa, and more: www.lemonde.fr/afrique/arti...
lemonde.fr
Adji Bousso Dieng, chercheuse en IA : « L’indépendance technologique de l’Afrique est menacée »
« Voix d’Afrique » (3/5). L’informaticienne sénégalaise, enseignante à Princeton, appelle à un sursaut de l’Afrique sur la protection numérique des données, une meilleure formation scientifique des pl...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 15/08/2025
Are you at the @accelerationc.bsky.social Conference in Toronto? Did you catch Siwoo Lee presenting on "MuAPBEK: An Improved Analytical Kinetic Energy Density Functional For Quantum Chemistry"? 🐯 #ACConference #Vertaix Check out the paper here: arxiv.org/abs/2505.04559
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 14/07/2025
#NewPaper A major development in the design and discovery of metal-organic frameworks (MOFs)! Thread below 👇👇👇 1/4
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 04/06/2025
Our paper introducing Alternators has been accepted at TMLR. Alternators are a new class of generative models that outperform state-space models, such as Mambas, and diffusion models such as ScoreGrad. Check it out! Paper: arxiv.org/abs/2405.11848 Code: github.com/vertaix/Alternators #MLSky #Vertaix
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 27/05/2025
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
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 27/05/2025
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
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 15/05/2025
#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
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Reposted by Vertaix (AI&Science Lab at Princeton University)
Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 05/05/2025
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...
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Reposted by Vertaix (AI&Science Lab at Princeton University)
Michael Hurst @chemhurst.bsky.social · 09/04/2025
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...
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
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Reposted by Vertaix (AI&Science Lab at Princeton University)
Acceleration Consortium @accelerationc.bsky.social · 28/02/2025
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.
accelerationconsortium.substack.com
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.
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 26/02/2025
#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
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 19/02/2025
#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
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 18/02/2025
#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
arxiv.org
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 ...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 04/02/2025
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...
cs.princeton.edu
Adji Bousso Dieng honored by the Materials Research Society | CS
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 22/01/2025
Check out BINNs! Behavior-inspired neural networks for relational inference. To appear at #AISTATS2025. Paper led by our friends at Princeton MAE 🐯 Link: arxiv.org/abs/2406.14746 #Dynamics #Agents #LatentVariables #AI #Vertaix
arxiv.org
Behavior-Inspired Neural Networks for Relational Inference
From pedestrians to Kuramoto oscillators, interactions between agents govern how a multitude of dynamical systems evolve in space and time. Discovering how these agents relate to each other can improv...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 13/01/2025
Our paper probing out-of-distribution generalization in machine learning for materials discovery is now published at Communications Materials (@NaturePortfolio) #MatSci #AI4Science #Chemsky #Vertaix 📓Link: nature.com/articles/s43...
nature.com
Probing out-of-distribution generalization in machine learning for materials - Communications Materials
State-of-the-art machine learning models are often tested on their ability to generalize materials deemed ’dissimilar’ to training data, but such definitions frequently rely on heuristics. Here, an an...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 18/12/2024
Our Aminah Aliu won an honorable mention at the 2024-2025 CRA Outstanding Undergraduate Researcher Award 🧡🐯 "This prestigious honor recognizes undergraduate students at North American colleges and universities who demonstrate exceptional potential in computing research." #CRAAwards #Vertaix
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Reposted by Vertaix (AI&Science Lab at Princeton University)
Kyle Cranmer @kylecranmer.bsky.social · 15/12/2024
Nice to meet you @andreniyongabo.bsky.social , great work! 👋 @adjiboussodieng.bsky.social
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 10/12/2024
Our @andreniyongabo.bsky.social will be @neuripsconf.bsky.social presenting LLM4Mat-Bench at the AI4Mat Workshop ✨ LLM4Mat-Bench is the largest text benchmark for training LLMs for materials property prediction. #NLP4Science 🖇️Paper: arxiv.org/abs/2411.00177 💻Code: github.com/vertaix/LLM4...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 09/12/2024
Our @adjiboussodieng.bsky.social was one of the panelists discussing AI and Climate during Princeton's Andlinger Center's annual meeting. You can find a nice article summarizing this exciting event below: acee.princeton.edu/acee-news/an... #AI4Science #ClimateSky #Climate #Vertaix
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 17/11/2024
Have you been wondering how your favorite LLM, e.g. Llama, Mistral, or Gemma performs on materials property prediction? We have just released LLM4Mat-Bench, the largest benchmark for materials property prediction with LLMs! #ChemSky Paper: arxiv.org/abs/2411.00177 Code: github.com/vertaix/LLM4...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 17/11/2024
Our VBO paper is now published in RSC Chemical Science ✨ This paper combines the Vendi Score with BayesOpt to discover novel MOFs. We discovered thermally stable & energy-efficient MOFs with a high storage capacity for NH3. #ChemSky #AI Code: github.com/vertaix/VBO Paper: doi.org/10.1039/D4SC...
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Vertaix (AI&Science Lab at Princeton University) @vertaix.bsky.social · 17/11/2024
Hello World! We look forward to sharing our science on this platform 🐯 #AI4Science #Vertaix #Princeton
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