conftrace_

materials discovery

12 papers

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Co-occurring keywords · papers mentioning both

large language model (2) crystal structure (2) inverse design (2) property prediction (2) diffusion model (2) generative model (2) max k-armed bandit (1) surrogate modeling (1) scientific reasoning (1) physics-constrained learning (1)

Papers

CrystalDiT: Simple Diffusion Transformers for Crystal Generation AAAI 2026 GenMatLab: A Generative Platform for Inverse Materials Design AAAI 2026 Nanoporous Materials Discovery via Search Bias-Guided Surrogate Modeling AAAI 2026 Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents NAACL 2025 MatExpert: Decomposing Materials Discovery By Mimicking Human Experts ICLR 2025 Generative Hierarchical Materials Search NeurIPS 2024 MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery AAAI 2024 Materials Discovery using Max K-Armed Bandit JMLR 2024 M$^2$Hub: Unlocking the Potential of Machine Learning for Materials Discovery NeurIPS 2023 Unified Model for Crystalline Material Generation IJCAI 2023 Resolving the data ambiguity for periodic crystals NeurIPS 2022 Physics-constrained Automatic Feature Engineering for Predictive Modeling in Materials Science AAAI 2021