Marvin Alberts
@malberts99
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PhD Student @IBMResearch; Previously MSci Chemistry @imperialcollege | Bringing #AI to Chemistry
Zurich, Switzerland
Joined January 2023
Check out this Video summarising my latest work in @ChemRxiv on predicting Molecular Structure from IR Spectra. @acvaucher @teodorolaino @IBMResearch . Paper: Bonus points for those who know what the Molecule tastes like 😉
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Interested in Automating Structure Elucidation using AI? Come check out my talk at #ACSFall2024 . Today at 11:35 in Bluebird Ballroom 2G
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RT @NinaHartrampf: Our preprint on “Merging Flow Synthesis and Enzymatic Maturation to Expand the Chemical Space of Lasso Peptides” is now….
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RT @NCCR_Catalysis: Thrilled to launch the NCCR Catalysis #Trailblazers series on exceptional individuals breaking barriers! 🤩 On #Internat….
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Thank you for the invitation @drecmb! I had a great time giving a talk on Automated Structure Elucidation in Lausanne @SchwallerGroup!
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Interested in Uncertainty Quantification for Sequence Prediction?.Come check out our poster at @RealAAAI today. We add rigorous uncertainty quantification to Beam Search using Conformal Predictions!.@nickgermann @IBMResearch
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RT @OSchilter: Introducing Clipboard-to-SMILES Converter: a macOS app for effortless conversion of screenshots into molecular structures (S….
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RT @nickgermann: Our paper got accepted at #AAAI24! 🎉.We propose two new .sequence generation algorithms with "error bars", by adapting bea….
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RT @AlessToniato: How to better start Christmas than by defending your PhD? 😊🎄🎓🎉. A super interesting discussion yesterday at @ETH_DCHAB w….
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RT @JannisBorn: We're in 2nd half of #NeurIPS2023, but still much exciting research ahead!Thrilled to present some work from #AI4SD team @I….
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RT @OSchilter: I’m excited to share my work at #NeurIPS2023! Join me at the #AI4Mat and #AI4Science poster session this Friday and Saturday….
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RT @drecmb: I'll be presenting our work on autonomous agents for chemistry #ChemCrow at the #AI4Science workshop this saturday, do not miss….
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RT @Robert_Palgrave: This exciting paper shows AI design of materials, robotic synthesis. 10s of new compounds in 17 days. But did they?….
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RT @AleksandrosSob1: We have a new preprint on DFT and eigenvalue algorithms:."Hermitian Pseudospectral Shattering, Cholesky, Hermitian Eig….
arxiv.org
Approximating invariant subspaces of generalized eigenvalue problems (GEPs) is a fundamental computational problem at the core of machine learning and scientific computing. It is, for example, the...
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RT @NinaHartrampf: 📣 We have 3️⃣ open PhD positions in chemical protein synthesis on our SNSF Sinergia project „MYConnect“ 🧫🧪 . Please appl….
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RT @drecmb: Applications of Transformers in chemistry have evolved a lot over the years, with great success in many tasks! 🚀🧪🚀.Our new revi….
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Particularly exciting for reaction prediction, protein language modelling and structure prediction from spectra!.
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This is relevant for any problem where an autoregressive language model is tasked with generating an exact or approximately exact sequence. Our algorithm generates prediction sets with a guarantee (e.g. 99%) that the correct sequence is present in the set!
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Excited our Preprint on Conformal Beam Search with @nickgermann and @MariaRoCompBio is out on @Arxiv. We add rigorous uncertainty quantifications to Beam Search using Conformal Predictions. Applicable to any model without changes in the architecture!!.🔗
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RT @nickgermann: Here's our preprint on conformal sequence generation!.w/ @malberts99 @MariaRoCompBio. Two new algo….
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