Add BigBang-Proton results for matbench_mp_e_form - #368
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## Summary
This PR adds BigBang-Proton results for the **matbench_mp_e_form** task
(formation energy per atom, eV/atom) to the matbench_v0.1 leaderboard.
**Files:**
- `results.json.gz` — predictions for all 5 official test folds (132,752 entries)
- `info.json` — algorithm metadata (authors, description, references, requirements)
- `benchmark_bigbang_proton.ipynb` — source notebook with the matbench record flow
## Algorithm
BigBang-Proton (arXiv:2510.00129) is a 1.5B-parameter unified sequence-based
architecture for autoregressive language modeling, pretrained **from scratch**
on cross-scale, cross-structure, cross-discipline real-world scientific tasks
to construct a scientific multi-task learner. It features three innovations:
1. **Theory-Experiment Learning** — aligns large-scale numerical experimental
data with theoretical text corpora;
2. **Binary Patch Encoding** — replaces BPE tokenization (259-symbol byte vocabulary);
3. **Monte Carlo Attention** — substitutes traditional transformer attention.
The base model is pretrained end-to-end by next-word prediction on
multidisciplinary datasets (quark jet tagging, inter-atomic potential
simulations, genome/protein sequences, spatio-temporal sensor data,
up-to-50-digit arithmetic) mixed with general text (SlimPajama).
## Benchmark setup (standard matbench protocol)
1. SFT of the base model on MPTRJ (Materials Project + JARVIS) → BigBang-Proton-MPTRJ;
2. Crystal structures serialized into compact text with the prompt
*"The formation energy per atom of the lattice is:"*;
3. Autoregressive generation of the value (eV/atom) as a byte string;
4. One model fine-tuned per fold on the official train/val split;
5. Test-time greedy decoding; best-loss + best-acc checkpoints averaged per fold.
## Results (official test folds, MAE eV/atom)
| fold | MAE |
|---|---|
| 0 | 0.0914 |
| 1 | 0.0896 |
| 2 | 0.0887 |
| 3 | 0.0934 |
| 4 | 0.0871 |
| **mean** | **0.0900** |
## Resources
- Paper: https://arxiv.org/abs/2510.00129
- Code: https://github.com/supersymmetry-technologies/BigBang-Proton
- Model: https://huggingface.co/SuperSymmetryTechnologies/BigBang-Proton
Label: `new_benchmark
Author
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Summary
This PR adds BigBang-Proton results for the matbench_mp_e_form task
(formation energy per atom, eV/atom) to the matbench_v0.1 leaderboard.
Files:
results.json.gz— predictions for all 5 official test folds (132,752 entries)info.json— algorithm metadata (authors, description, references, requirements)benchmark_bigbang_proton.ipynb— source notebook with the matbench record flowAlgorithm
BigBang-Proton (arXiv:2510.00129) is a 1.5B-parameter unified sequence-based
architecture for autoregressive language modeling, pretrained from scratch
on cross-scale, cross-structure, cross-discipline real-world scientific tasks
to construct a scientific multi-task learner. It features three innovations:
data with theoretical text corpora;
The base model is pretrained end-to-end by next-word prediction on
multidisciplinary datasets (quark jet tagging, inter-atomic potential
simulations, genome/protein sequences, spatio-temporal sensor data,
up-to-50-digit arithmetic) mixed with general text (SlimPajama).
Benchmark setup (standard matbench protocol)
"The formation energy per atom of the lattice is:";
Results (official test folds, MAE eV/atom)
Resources
Label:
new_benchmark