| --- |
| title: SPARK |
| emoji: ⚡ |
| colorFrom: blue |
| colorTo: purple |
| sdk: gradio |
| sdk_version: "5.29.0" |
| app_file: app.py |
| pinned: false |
| license: mit |
| short_description: SPARK — Bayesian inference for CV & TPD analysis |
| --- |
| > # SPARK has moved |
| > This Space has moved to **[https://huggingface.co/spaces/bing-yan/spark](https://huggingface.co/spaces/bing-yan/spark)**. |
| > The model, code, and inference behaviour are identical — only the |
| > URL and branding (TRACE -> SPARK) have changed. |
| > This `/trace` URL remains live as a redirect for existing bookmarks. |
|
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| # SPARK — Simulation-based Posterior Amortization for Reaction Kinetics |
|
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| Amortized Bayesian inference for electrochemistry and catalysis. |
| Upload cyclic voltammetry (CV) or temperature-programmed desorption (TPD) data to automatically: |
|
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| 1. **Identify the reaction mechanism** from a candidate list (9 for CV, 11 for TPD) |
| 2. **Infer kinetic parameters** with full Bayesian posterior uncertainty |
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| Inference takes ~50 ms on CPU. Accepts CSV files or plot images. |
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| The deployed checkpoints are the **noise-augmented headline models** (CV: `v14_9mech`, |
| TPD: `tpd_11mech_v2`) that retain 92.4 % (CV) and 95.6 % (TPD) classification accuracy |
| on realistic noisy inputs. |
|
|
| ## Supported Mechanisms |
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| **Electrochemistry (CV, 9 mechanisms):** Nernst, Butler–Volmer, Marcus–Hush–Chidsey, |
| Adsorption, EC, Langmuir–Hinshelwood, EE, EC′, CE. |
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| **Catalysis (TPD, 11 mechanisms):** First-order, Second-order, Zeroth-order, |
| FirstOrderCovDep, DiffLimited, Precursor, Dissociative, ActivatedAdsorption, |
| LH Surface, Mars–van Krevelen, TwoSite. |
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|
| ## Citation |
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|
| ``` |
| [Citation to be added upon publication] |
| ``` |
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|
