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Workshop
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Mitigating Bias in Scientific Data: a Materials Science Case Study
Hengrui Zhang · Wei Chen · James Rondinelli · Wei Chen
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Workshop
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Fri 14:50
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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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Out of Domain Stress Prediction on a Dataset of Simulated 3D Polycrystalline Microstructures
Thomas Lu · Aarti Singh
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Workshop
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Fri 13:40
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HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science
Yu Song · Santiago Miret · Huan Zhang · Bang Liu
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Workshop
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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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Workshop
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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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Workshop
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Fri 13:30
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Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
Nate Gruver · Anuroop Sriram · Andrea Madotto · Andrew Wilson · Larry Zitnick · Zachary Ulissi
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Workshop
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MatKG-2: Unveiling precise material science ontology through autonomous committees of LLMs
Vineeth Venugopal · Elsa Olivetti
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Workshop
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Eco-Comp: Towards Responsible Computing in Materials Science
Sai S Lingampalli · El Tayeb Bentria · Fadwa El Mellouhi
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Workshop
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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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Poster
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Tue 15:15
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Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
Shengchao Liu · weitao Du · Yanjing Li · Zhuoxinran Li · Zhiling Zheng · Chenru Duan · Zhi-Ming Ma · Omar Yaghi · Animashree Anandkumar · Christian Borgs · Jennifer Chayes · Hongyu Guo · Jian Tang
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Workshop
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Revealing the Mechanism of Large-scale Gradient Systems Using a Neural Reduced Potential
Shunya Tsuji · Ryo Murakami · Hayaru Shouno · Yoh-ichi Mototake
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