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43 Results
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Workshop
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MTENCODER: A Multi-task Pretrained Transformer Encoder for Materials Representation Learning Thorben Prein · Elton Pan · Tom Doerr · Elsa Olivetti · Jennifer Rupp |
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Data Efficient Training for Materials Property Prediction Using Active Learning Querying Carmelo Gonzales · Kin Long Kelvin Lee · Bin Mu · Michael Galkin · Santiago Miret |
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Reconstructing Materials Tetrahedron: Challenges in Materials Information Extraction Kausik Hira · Mohd Zaki · Dhruvil Sheth · Mausam · N M Anoop Krishnan |
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Fri 14:00 |
Scalable Diffusion for Materials Generation Sherry Yang · KwangHwan Cho · Amil Merchant · Pieter Abbeel · Dale Schuurmans · Igor Mordatch · Ekin Dogus Cubuk |
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Tokenizer Effect on Functional Material Prediction: Investigating Contextual Word Embeddings for Knowledge Discovery Tong Xie · Yuwei Wan · Ke Lu · Wenjie Zhang · Chunyu Kit · Bram Hoex |
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On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions Alvaro Carbonero · ALEXANDRE DUVAL · Victor Schmidt · Santiago Miret · Alex Hernandez-Garcia · Yoshua Bengio · David Rolnick |
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Out of Domain Stress Prediction on a Dataset of Simulated 3D Polycrystalline Microstructures Thomas Lu · Aarti Singh |
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Symbolic Learning for Material Discovery Daniel Cunnington · Flaviu Cipcigan · Rodrigo Neumann Barros Ferreira · Jonathan Booth |
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Connectivity Optimized Nested Line Graph Networks for Crystal Structures Robin Ruff · Patrick Reiser · Jan Stühmer · Pascal Friederich |
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Fri 14:30 |
Crystal-GFN: sampling materials with desirable properties and constraints Mistal · Alex Hernandez-Garcia · Alexandra Volokhova · ALEXANDRE DUVAL · Yoshua Bengio · Divya Sharma · Pierre Luc Carrier · Michał Koziarski · Victor Schmidt |
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Workshop
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Fri 14:50 |
Machine learning force field ranking of candidate solid electrolyte interphase structures in Li-ion batteries James Stevenson |
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Workshop
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A Bayesian Approach to Designing Microstructures and Processing Pathways for Tailored Material Properties Adam Generale · Conlain Kelly · Grayson Harrington · Andreas Robertson · Michael Buzzy · Surya Kalidindi |