Vertaix® (AI & Science) (@Vertaix

Vertaix® (AI & Science)

287 posts

Vertaix® (AI & Science)

@Vertaix_

Research lab @Princeton led by @adjiboussodieng. We develop theory and computational methods to tackle challenges in AI and the natural sciences.

vertaix.princeton.edu

Joined February 2022

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Vertaix® (AI & Science)
@Vertaix_
Oct 24, 2024
Our VBO paper is now published in @ChemicalScience ✨ This paper proposes a novel algorithm that combines the Vendi Score with Bayesian Optimization to discover MOFs with desired properties. We discovered thermally stable and energy-efficient MOFs with a high storage capacity
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Vertaix® (AI & Science)
@Vertaix_
Oct 6, 2022
Diversity is an important criterion for #AI/#ML, e.g. for generative modeling, reinforcement learning, active learning, & dataset curation. Introducing the Vendi Score, a diversity metric for AI/ML that connects & extends ideas from ecology & quantum statistical mechanics. 🧵🧵
GIF
Vertaix® (AI & Science)
@Vertaix_
Jun 4, 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! GitHub: github.com/vertaix/Altern… Paper: openreview.net/forum?id=Q70C1…
GIF
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Vertaix® (AI & Science)
@Vertaix_
Jul 4, 2023
What does diversity have to do with molecular dynamics? Introducing Vendi Sampling, a new replica-based enhanced sampling technique that uses the Vendi Score to incorporate a repulsive force into Langevin dynamics for molecular simulations. 1/4 #compchem 👇👇👇
GIF
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Vertaix® (AI & Science)
@Vertaix_
Apr 17, 2024
#NewPaper What you see in the picture is the current best metal-organic framework (MOF) for ammonia adsorption, an important environmentally relevant application. Its composition is C78-O25-H42-Cr3. We discovered this material by developing a new algorithm that combines Bayesian
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Vertaix® (AI & Science)
@Vertaix_
Aug 6, 2022
Have you already started thinking about labs that would be a great fit for your Ph.D.? Are you interested in #AI4Science, kind, and collaborative? Then join Vertaix 🧡🐯✨We'll be admitting students in the upcoming admission cycle. Website: vertaix.princeton.edu
Vertaix® (AI & Science)
@Vertaix_
Feb 26, 2025
#NewPaper The first microscope, invented in the 16th century, was designed to unlock the secrets of the microscopic world. Today, as many fields become increasingly data-driven, there is a pressing need for new types of microscopes---tools that help us zoom in, explore, and
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Vertaix® (AI & Science)
@Vertaix_
Feb 4, 2025
Congrats to @adjiboussodieng on being named an Early-Career Distinguished Presenter at the @Materials_MRS Spring Meeting 2025! This honor is meant to highlight exciting new research directions in materials science. Join her at the #MRSSpring symposium MT03 to learn about Vendi
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Vertaix® (AI & Science)
@Vertaix_
May 7, 2024
#NewPaper #ICML2024 Are diversity and quality mutually exclusive? No, we can account for both! We extended the Vendi Scores to account for quality. We call these new scores "quality-weighted Vendi Scores" or qVS. We applied qVS to experimental design for drug and materials
GIF
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Vertaix® (AI & Science)
@Vertaix_
May 21, 2024
#NewPaper Introducing Alternators, a new class of models for sequences that outperforms neural ODEs, dynamical VAEs, and diffusion models on applications ranging from the Lorenz system to Neuroscience and Climate Science ✨ Alternators are versatile. They can be used as
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Vertaix® (AI & Science)
@Vertaix_
Apr 24, 2024
Congratulations to our Constance Ferragu (@frgu2002) for brilliantly defending her Master of Science and Engineering thesis 🎉🧡 Constance's thesis is about a technique to decode protein sequences to improve diversity while preserving fitness. We are proud of you! #Proteins
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Vertaix® (AI & Science)
@Vertaix_
May 6, 2024
Congrats to our @andre_niyongabo who just passed his general exam 🎉 Officially a PhD candidate 🎓
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Vertaix® (AI & Science)
@Vertaix_
Oct 25, 2023
Most approaches to crystal property prediction rely on GNNs. Did you know you can predict crystal properties using LLMs instead? Introducing LLM-Prop, a carefully finetuned network that leverages #LLMs to achieve SOTA performance on crystal property prediction. 1/3 #MatSci #AI
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Vertaix® (AI & Science)
@Vertaix_
Sep 25, 2023
Our Vendi Sampling paper has now been accepted for publication by the Journal of Chemical Physics ✨ @apasarkar22 @smnlssn @adjiboussodieng Open source code is available online on our GitHub. Link: github.com/vertaix/Vendi-… #compchem #chemtwitter
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