| --- |
| license: cc-by-4.0 |
| language: |
| - en |
| pretty_name: PHREEQC-MCQ (verified items and model predictions) |
| size_categories: |
| - 1K<n<10K |
| task_categories: |
| - question-answering |
| - multiple-choice |
| tags: |
| - chemistry |
| - geochemistry |
| - phreeqc |
| - llm-agents |
| - tool-use |
| - scientific-simulation |
| - benchmark |
| configs: |
| - config_name: items |
| default: true |
| data_files: |
| - split: test |
| path: items.jsonl |
| - config_name: predictions |
| data_files: |
| - split: test |
| path: predictions.jsonl |
| --- |
| |
| # PHREEQC-MCQ: verified items and model predictions |
|
|
| Four-option multiple-choice items that require running [PHREEQC](https://www.usgs.gov/software/phreeqc-version-3), a geochemistry simulator from the USGS, together with every per-item model prediction from [Same Simulation, Different Evidence: Where Retrieved Tool Output Costs LLM Agents Accuracy](https://arxiv.org/abs/2610.26836). |
|
|
| The items come from [PHREEQC-MCQ-200](https://arxiv.org/abs/2607.00436). This release contains the **158 items** whose answer keys were reproduced by re-executing PHREEQC 3.8.6; all main-text results of the paper use these items. |
|
|
| The agent harness, the frozen PHREEQC database, and full agent trajectories are on GitHub: [grenadeComing/same-simulation-different-evidence](https://github.com/grenadeComing/same-simulation-different-evidence). |
|
|
| ## Load |
|
|
| ```python |
| from datasets import load_dataset |
| |
| items = load_dataset("grenadeComing/same-simulation-different-evidence", "items", split="test") |
| predictions = load_dataset("grenadeComing/same-simulation-different-evidence", "predictions", split="test") |
| ``` |
|
|
| ## Fields |
|
|
| **`items`** (158 rows) |
|
|
| | Field | Meaning | |
| |---|---| |
| | `id` | Item id (numbering of the original 200-item pool) | |
| | `question` | The prompt given to models, options included | |
| | `answer` | Correct option letter | |
|
|
| **`predictions`** (8,851 rows: one per run and item) |
|
|
| | Field | Meaning | |
| |---|---| |
| | `run` | Run directory under `result/` in the GitHub repository | |
| | `model` | Model | |
| | `setting` | `agent`, `no_tools`, or `paired_replay` | |
| | `condition` | `Raw100k`, `TOC`, `Grep`, `Hybrid`, `TOC+Report`, `TOC+Round`, `Direct`, or `CoT` | |
| | `repeat` | Repeat index (paired replay only) | |
| | `item_id` | Item id, matching `items.id` | |
| | `prediction` | Predicted option letter; null when the agent gave no answer | |
| | `answer` | Correct option letter | |
| | `correct` | Whether the prediction is correct; missing answers count as incorrect | |
|
|
| Conditions: **Raw100k** returns the simulator report inline, truncated to 100k characters; **TOC** returns an index of report sections that the agent reads by line range; **Grep** gives the agent a regular-expression search tool; **Hybrid** returns the report inline when it fits and the TOC otherwise; **TOC+Report** and **TOC+Round** add an instruction to answer from the report or to round to the options' precision; **Direct** and **CoT** use no tools. |
|
|
| Rows are stored per run, and several conditions have more than one run. The TOC results on the 33 long-output items come from the `custom/pool200_tocfix_uncapped_capaffected45_*` runs, which replace the TOC reruns on those items; the run map in the GitHub README lists every run. |
|
|
| ## Citation |
|
|
| ```bibtex |
| @article{zhang2026samesimulation, |
| title = {Same Simulation, Different Evidence: Where Retrieved Tool Output Costs {LLM} Agents Accuracy}, |
| author = {Zhang, Ke and Chundur, Sahchit and Owusu, Jerry Peprah and Abdolhosseini Qomi, Mohammad Javad and Raissi, Maziar}, |
| journal = {arXiv preprint arXiv:2610.26836}, |
| year = {2026} |
| } |
| |
| @article{zhang2026phreeqcmcq, |
| title = {{PHREEQC-MCQ-200}: A Diagnostic Benchmark for Tool-Augmented Scientific Simulator Agents}, |
| author = {Zhang, Ke and Chundur, Sahchit and Abdolhosseini Qomi, Mohammad Javad and Raissi, Maziar}, |
| journal = {arXiv preprint arXiv:2607.00436}, |
| year = {2026} |
| } |
| ``` |
|
|
| ## License |
|
|
| The items are released under [CC BY 4.0](https://creativecommons.org/licenses/by/4.0/). Model predictions are outputs of the evaluated models; their use is also subject to each provider's terms. |
|
|
