SCALE: Simulation-Calibrated Amortized Learning for Energy Materials (A hybrid architecture connecting deterministic modeling, real-world data, and transformer-scale inference for accelerated energy-materials discovery)

arXiv:2609.22233 · cs.LG, cond-mat.mtrl-sci · Submitted 2026-09-03 · Read on arXiv

cs.LG, cond-mat.mtrl-sci

Submitted: 2026-09-03

Updated: 2026-09-03

Comments: 16 pages, 5 figures

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Transformer — 3× in this paper · explained in 2 episodes
• Simulation-Calibrated Amortized Learning for Energy Materials — 2× in this paper
• Active Learning — 1× in this paper · explained in 6 episodes
• Calibration — 1× in this paper · explained in 7 episodes
• Fidelity — 1× in this paper · explained in 2 episodes
• Inverse Design — 1× in this paper · explained in 2 episodes

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