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Andre Niyongabo Rubungo

@andreniyongabo.bsky.social
41 followers 79 following 6 posts

CS PhD Candidate at Princeton University & Vertaix Lab | Focusing on LLMs for Materials Science | Interned at Meta AI, Huawei, & WhaleCloud2 | Studied at UPC & UESTC | Previously at MasakhaneNLP

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Reposted by Andre Niyongabo Rubungo
Science X / Phys.org @sciencex.bsky.social · 07/01/2026
A new machine learning tool rapidly predicts the stability and synthesizability of metal organic frameworks, streamlining the search for materials suited to applications like carbon capture and energy storage. doi.org/hbh4wk
phys.org
New tool narrows the search for ideal metal organic frameworks
Princeton researchers have developed a new tool to speed the discovery of advanced materials known as metal organic frameworks (MOFs).
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Reposted by Andre Niyongabo Rubungo
MOF Papers @mofpapers.bsky.social · 17/12/2025
Highly Accurate and Fast Prediction of MOF Free Energy via Machine Learning dx.doi.org/10.1021/jacs.5c13960
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Reposted by Andre Niyongabo Rubungo
Jon Evans @rezendi.com · 22/12/2025
This seems cool pubs.acs.org/doi/10.1021/...
pubs.acs.org
Highly Accurate and Fast Prediction of MOF Free Energy via Machine Learning
A major bottleneck in translating computational screening of metal–organic frameworks (MOFs) to laboratory synthesis is the uncertain synthetic accessibility of computer-generated MOF designs. While M...
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Reposted by Andre Niyongabo Rubungo
IOPP Machine Learning and AI @iopp-mlresearch.bsky.social · 02/06/2025
🚨 #Benchmark paper alert! 🚨 @andreniyongabo.bsky.social, Kangming Li, @adjiboussodieng.bsky.social and @jae3goals.bsky.social pave the way for #benchmarking #LLMs for materials property prediction with their LLM4Mat-Bench #MachineLearningScienceandTechnology Read the paper here: bit.ly/43nxfnW
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Andre Niyongabo Rubungo @andreniyongabo.bsky.social · 22/05/2025
I'm excited to share that I’m starting a new position as a Research Scientist Intern at IBM Research AI, where I will spend the summer working on Large-scale Language Modeling! Looking forward to this exciting journey 🙏
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Reposted by Andre Niyongabo Rubungo
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 Andre Niyongabo Rubungo
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 Andre Niyongabo Rubungo
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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Reposted by Andre Niyongabo Rubungo
angelthegrey @angelthegrey.bsky.social · 16/11/2024
One of the awesome things about the AI4Mat workshop at NeurIPS 2024 (sites.google.com/view/ai4mat) is that it brings together people doing things like graph neural networks and large language models with others into electron microscopy and materials synthesis #ALDep
sites.google.com
AI4Mat-NeurIPS 2024
About the Workshop
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Reposted by Andre Niyongabo Rubungo
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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Reposted by Andre Niyongabo Rubungo
Philippe Schwaller @pschwllr.bsky.social · 02/12/2024
We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky
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Reposted by Andre Niyongabo Rubungo
Andres M Bran @andresbran.bsky.social · 04/12/2024
Exciting news! 🔥🤩 The second LLM Hackathon for Applications in Materials Science and Chemistry has resulted in a preprint! 🔥🚀 Check out the paper here arxiv.org/abs/2411.15221 and a short version of all the projects in this Twitter thread twitter.com/BenBlaiszik/... #AI #AI4Materials #AI4Chem
arxiv.org
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resul...
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Reposted by Andre Niyongabo Rubungo
Ben Blaiszik @benblaiszik.bsky.social · 03/12/2024
Reposting two starter packs with researchers working on AI4Science for those who are newly joining 🦋. So many wonderful folks on these lists, help me add more by sending names (including your own 😊). Starter Pack 2: go.bsky.app/GnFTUM6 Starter Pack 1: go.bsky.app/JeFdryY
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Andre Niyongabo Rubungo @andreniyongabo.bsky.social · 03/12/2024
Meet my sister, the winner of UESTC's Most Outstanding PhD Student Award! Her PhD focuses on fuzzy-inspired frameworks for medical diagnosis and signal processing, tackling challenging Neuroscience problems. She’s now seeking a post-doc position in a related field! scholar.google.com/citations?us...
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Reposted by Andre Niyongabo Rubungo
Sergei V. Kalinin @sergei-imaging.bsky.social · 29/11/2024
Intro to Machine Learning for Materials Science: from ontologies and NLP to causality and decision making www.linkedin.com/posts/sergei...
linkedin.com
Sergei Kalinin on LinkedIn: GitHub - SergeiVKalinin/MSE_Fall2024
🎓 Reflecting on "Introduction to Machine Learning for Materials Science"🎓 As the semester comes to a close, it’s a great time to look back on the second…
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Reposted by Andre Niyongabo Rubungo
Kevin Jablonka @kjablonka.com · 22/11/2024
A very cool article about our ChemBench benchmark (arxiv.org/abs/2404.01475).
arxiv.org
Are large language models superhuman chemists?
Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. However, we possess only...
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Reposted by Andre Niyongabo Rubungo
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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Reposted by Andre Niyongabo Rubungo
Flaviu Cipcigan @flaviucipcigan.bsky.social · 07/11/2024
If you're interested in foundation models for materials and molecules, check out our repo: github.com/IBM/materials We have three models released based on SMILES, SELFIES and molecular graphs. More to come shortly - we aim to have a unified collection of state-of art models across all modalities.
github.com
GitHub - IBM/materials: Foundation Model for Materials - FM4M
Foundation Model for Materials - FM4M. Contribute to IBM/materials development by creating an account on GitHub.
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