SLayerGen generates crystals invariant to any space or layer group via autoregressive lattice and Wyckoff sampling plus equivariant diffusion, achieving gains over bulk models on diperiodic materials after correcting a prior loss inconsistency for hexagonal groups.
A generative model for inorganic materials design
9 Pith papers cite this work. Polarity classification is still indexing.
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CliqueFlowmer combines clique-based model-based optimization with transformer and flow models to generate materials that optimize target properties better than generative baselines.
CrystalReasoner combines LLM reasoning traces with physical priors and multi-objective RL to generate valid, stable, and property-conditioned crystal structures.
Flow-Direct constructs a reusable non-parametric guidance field from the log-density ratio of base and target distributions using all accumulated reward samples for feedback-efficient guidance in flow models.
Flow Marching jointly samples noise and physical time to learn a velocity field for generative PDE modeling, paired with a latent autoencoder and efficient transformer for large-scale pretraining on 2.5M trajectories.
DAO pretrains Siamese diffusion-based models on stable/unstable crystal data to achieve 100% experimental match on Cr6Os2 and 2000x speedup over DFT on real superconductors.
MatterSim delivers a single deep learning force field that simulates inorganic materials across elements, 0-5000 K, and up to 1000 GPa with near first-principles accuracy for lattice dynamics, mechanics, and Gibbs free energies.
A compact language model trained on scaled synthetic nuclear reactor control data exhibits variance collapse and emergent concentration on a single actuation strategy driven by physical execution success.
citing papers explorer
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SLayerGen: a Crystal Generative Model for all Space and Layer Groups
SLayerGen generates crystals invariant to any space or layer group via autoregressive lattice and Wyckoff sampling plus equivariant diffusion, achieving gains over bulk models on diperiodic materials after correcting a prior loss inconsistency for hexagonal groups.
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Offline Materials Optimization with CliqueFlowmer
CliqueFlowmer combines clique-based model-based optimization with transformer and flow models to generate materials that optimize target properties better than generative baselines.
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CrystalReasoner: Reasoning and RL for Property-Conditioned Crystal Structure Generation
CrystalReasoner combines LLM reasoning traces with physical priors and multi-objective RL to generate valid, stable, and property-conditioned crystal structures.
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Flow-Direct: Feedback-Efficient and Reusable Guidance for Flow Models via Non-Parametric Guidance Field
Flow-Direct constructs a reusable non-parametric guidance field from the log-density ratio of base and target distributions using all accumulated reward samples for feedback-efficient guidance in flow models.
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Flow marching for a generative PDE foundation model
Flow Marching jointly samples noise and physical time to learn a velocity field for generative PDE modeling, paired with a latent autoencoder and efficient transformer for large-scale pretraining on 2.5M trajectories.
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Siamese Foundation Models for Crystal Structure Prediction
DAO pretrains Siamese diffusion-based models on stable/unstable crystal data to achieve 100% experimental match on Cr6Os2 and 2000x speedup over DFT on real superconductors.
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MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
MatterSim delivers a single deep learning force field that simulates inorganic materials across elements, 0-5000 K, and up to 1000 GPa with near first-principles accuracy for lattice dynamics, mechanics, and Gibbs free energies.
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Agentic Physical AI toward a Domain-Specific Foundation Model for Nuclear Reactor Control
A compact language model trained on scaled synthetic nuclear reactor control data exhibits variance collapse and emergent concentration on a single actuation strategy driven by physical execution success.
- Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling