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OptoLlama / README.md
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metadata
license: cc-by-4.0
datasets:
  - HZBSolarOptics/MultiLayerThinFilms
metrics:
  - mae
tags:
  - science
  - material
  - inverse
  - design

OptoLlama

License Contact

Meet OptoLlama โ€” a masked diffusion language transformer aimed to solve inverse design of multi-layer thin film structures.

Key Features

  • Masked diffusion language model (MDLM)
  • Support for reflectance, absorption and transmittance RAT spectra ๐Ÿ“ˆ
  • Wave length from 300-2,000nm ๐Ÿ’ก
  • State-of-the-art predictive performance for inverse material design ๐Ÿ˜Ž

Supporting Material

ArXiV Paper on MDLM: ๐Ÿ“ https://arxiv.org/pdf/2406.07524

Usage

Install Dependencies

python -m pip install torch
python -m pip install safetensors

Load Model Checkpoint

from safetensors.torch import load_file

model = OptoLlama()

safetensors_path = "optollama-model.safetensors"
state_dict = load_file(safetensors_path)
model.load_state_dict(state_dict)

Useful Information

Stat Value
#Parameters 111,555,513
Best validation MAE 0.0140
top_p 0.9
top_k 5
Epochs trained 1,000
Best epoch 866
Batch size 256
n_blocks 6
n_heads 8
d_model 1,024
max_seq_length 20

Acknowledgements

This work is supported by the Helmholtz Association Initiative and Networking Fund through the Helmholtz AI platform, and the HAICORE@KIT grant.