arXiv AI

Rules to Tools: Executable Checks for LLM Agents in Scientific Computing

The paper introduces Rules to Tools (R2T), a system that provides executable checks for scientific coding agents to verify compliance with public scientific requirements. In experiments across multiple task cohorts, agents using R2T’s prepared checks achieved high repair success rates—26/30 with text and 29/30 with checks—while also demonstrating varying task preferences and cost trade‑offs. The study quantifies how tool‑enabled checks influence repair outcomes and agent‑side resource usage in scientific computing contexts.

arXiv AI
Sep 3

ToolGate: An Executable Acceptance Pipeline for Tool-Dependent Scientific Benchmark Construction

ToolGate is an executable acceptance pipeline designed to streamline the creation of scientific benchmarks that rely on specialist software. It evaluates each model-generated item through three gates: (1) an executable solution script must reproduce the proposed answer, (2) a randomized no‑tool screen rejects items solvable without the software, and (3) a tool‑using agent must solve the item within a time limit. In a FEniCSx instantiation, 500 generation attempts produced 128 unique, verified benchmark items after successive filtering.

By Ke Zhang, Yankang Liu, Roya Zandi, Maziar Raissi
arXiv AI
Sep 11

OpenDiscoveryTrace: Process Traces for Evaluating AI Scientist Workflows

OpenDiscoveryTrace is a public dataset of 558 complete AI scientific agent trajectories that records the reasoning process—thoughts, tool calls, observations, errors, revision triggers, and confidence—across 124 scientific tasks in drug discovery, materials science, genomics, and literature analysis. The dataset includes seven models (three frontier models and four open‑weight models) and 60 live‑retrieval variants, providing a balanced view of performance and error patterns. Pilot analysis shows that process traces reveal behavioral differences invisible to output‑only evaluation, such as differing error rates and types among frontier models.

By Aayam Bansal, Keertan Balaji
arXiv AI
Aug 28

Evaluating human and LLM screening workflows in a conceptually complex scoping review: Recall--workload trade-offs and run-to-run consistency

The study compared human and large language model (LLM) workflows for title‑and‑abstract screening in a complex scoping review. Human reviewers and two GPT‑5.4 file‑batch runs retained 42.2‑45.0% of records with 82.3‑82.9% recall, while Gemini 3.1 achieved the highest recall (83.9%) but retained 56.7% of records. Identical GPT‑5.4 runs showed 91.7% agreement yet differed on 94 records, including 29 verified eligible ones.

By Nikol Figalov\'a, Lynn Huestegge, Anne B\"ockler-Raettig
arXiv AI
Aug 28

Same Model, Different Harness: Different Coding-Agent Results

The paper investigates how altering the harness—specifically the way a coding agent manages context and tool outputs—affects performance when the underlying model and task remain unchanged. Two harness configurations were compared on three coding benchmarks: a control that preserves the full conversation in order, and a treatment that mechanically shortens older tool results to keep the context tight. Across all benchmarks, the treatment increased the mean per‑task fail‑to‑pass fraction and, in some cases, the number of complete solutions, demonstrating that the harness itself can significantly influence a frozen model’s effectiveness.

By Sydney Lewis