# ReactBench: A Benchmark for Topological Reasoning in MLLMs on Chemical Reaction Diagrams

arXiv: https://arxiv.org/abs/2604.15994 · HTML: https://mlsanity.com/paper/2604.15994/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Placed in Clinical and biomedical applications, one of 17 directions in LLM reasoning.
- Builds on 17 of its 47 references that are in the map.
- First posted on arXiv 17 Apr 2026.

## Placed in

- LLM reasoning / [Clinical and biomedical applications](https://mlsanity.com/lr/clinical-and-biomedical-applications/)
- Multimodal LLMs / vision-language models / [Chart understanding and anomaly detection](https://mlsanity.com/mllm/chart-understanding-and-anomaly-detection/)

## Builds on (most cited first, 17 of 17)

- [Learning Transferable Visual Models From Natural Language Supervision](https://mlsanity.com/paper/2103.00020/) (2021)
- [BLIP-2: Bootstrapping Language-Image Pre-training with Frozen Image Encoders and Large Language Models](https://mlsanity.com/paper/2301.12597/) (2023)
- [Qwen2.5-VL Technical Report](https://mlsanity.com/paper/2502.13923/) (2025)
- [GPT-4o System Card](https://mlsanity.com/paper/2410.21276/) (2024)
- [Gemini 2.5: Pushing the Frontier with Advanced Reasoning, Multimodality, Long Context, and Next Generation Agentic Capabilities](https://mlsanity.com/paper/2507.06261/) (2025)
- [Gemini 1.5: Unlocking multimodal understanding across millions of tokens of context](https://mlsanity.com/paper/2403.05530/) (2024)
- [Qwen3-VL Technical Report](https://mlsanity.com/paper/2511.21631/) (2025)
- [Phi-3 Technical Report: A Highly Capable Language Model Locally on Your Phone](https://mlsanity.com/paper/2404.14219/) (2024)
- [Expanding Performance Boundaries of Open-Source Multimodal Models with Model, Data, and Test-Time Scaling](https://mlsanity.com/paper/2412.05271/) (2024)
- [ChartQA: A Benchmark for Question Answering about Charts with Visual and Logical Reasoning](https://mlsanity.com/paper/2203.10244/) (2022)
- [MiniCPM-V: A GPT-4V Level MLLM on Your Phone](https://mlsanity.com/paper/2408.01800/) (2024)
- [DeepSeek-VL2: Mixture-of-Experts Vision-Language Models for Advanced Multimodal Understanding](https://mlsanity.com/paper/2412.10302/) (2024)
- [To CoT or not to CoT? Chain-of-thought helps mainly on math and symbolic reasoning](https://mlsanity.com/paper/2409.12183/) (2024)
- [From Explicit CoT to Implicit CoT: Learning to Internalize CoT Step by Step](https://mlsanity.com/paper/2405.14838/) (2024)
- [Preference Leakage: A Contamination Problem in LLM-as-a-judge](https://mlsanity.com/paper/2502.01534/) (2025)
- [Mozi: Governed Autonomy for Drug Discovery LLM Agents](https://mlsanity.com/paper/2603.03655/) (2026)
- [ChemLabs on ChemO: A Multi-Agent System for Multimodal Reasoning on IChO 2025](https://mlsanity.com/paper/2511.16205/) (2025)

## Abstract (arXiv)

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and cyclic dependencies, their reasoning capabilities degrade sharply, even on tasks as basic as counting endpoints. Existing benchmarks fail to probe this gap, focusing on semantic comprehension rather than structural reasoning. We introduce ReactBench, a benchmark that reveals fundamental limitations in structural reasoning through chemical reaction diagrams. These real-world scientific diagrams offer an ideal testbed because they naturally span diverse structures from linear chains to cyclic graphs, while requiring both precise local recognition and coherent global reasoning. Our benchmark comprises 1,618 expert-annotated QA pairs across four hierarchical task dimensions. Extensive evaluation across 24 MLLMs reveals a significant performance gap exceeding 30% between anchor-based tasks and holistic structural reasoning tasks. Controlled ablations confirm this bottleneck lies in reasoning, not perception. These findings expose a fundamental deficit in structural understanding and establish directions for advancing visual reasoning.