ReactBench is a benchmark designed to evaluate the structural reasoning abilities of multimodal large language models (MLLMs) using chemical reaction diagrams. The dataset contains 1,618 expert‑annotated question‑answer pairs that test reasoning across four hierarchical task dimensions, from simple endpoint counting to complex topological analysis. Evaluation of 24 MLLMs shows a performance gap of more than 30% between anchor‑based tasks and holistic structural reasoning tasks, indicating that current models struggle with reasoning over branching, converging, and cyclic structures.
arXiv:2510.07731v4 Announce Type: replace Abstract: Organic reaction mechanisms describe the step-wise elementary processes by which reactants transform into intermediates and products, and are funda...
arXiv:2607. 14658v1 Announce Type: new Abstract: While Multimodal Large Language Models (MLLMs) excel in general tasks, rigorous scientific reasoning remains challenging due to the limitations of monolithic, linear planning.
arXiv:2607. 12771v1 Announce Type: new Abstract: Reaction mechanisms consist of the step-by-step sequences of elementary reactions that explain chemical transformations.
arXiv:2511. 17731v2 Announce Type: replace-cross Abstract: Chain-of-Thought (CoT) prompting has proven remarkably effective for eliciting complex reasoning in large language models (LLMs).
arXiv:2607. 03007v1 Announce Type: cross Abstract: Recent advances in molecular large language models have led to strong performance on molecular understanding and generation tasks, yet these gains often come without reliable structural grounding.
The paper introduces a framework that combines a Geometric Vision Parser and a Symbolic Solver to enable a Large Language Model to solve complex plane geometry problems. By translating diagrams into symbolic representations and performing formal deductions, the approach reduces hallucinations and produces interpretable, human-like solutions. Experiments on a new benchmark from 2025 Chinese Zhongkao exams show performance comparable to Gemini 2.5 Pro.
Local chemical perception and property reasoning are both essential for understanding how molecular structure determines properties. Current LLM-based chemical reasoning methods either receive SMILES/molecular images together with descriptions of local motifs, or reason directly from molecular images.
arXiv:2607. 07708v1 Announce Type: cross Abstract: Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization.
The survey titled "When Vision Meets Graphs: A Survey on Graph Reasoning and Learning" reviews how visual depictions of graphs can be used as inputs for graph reasoning and learning. It highlights that while Graph Neural Networks dominate graph machine learning, most pipelines ignore the visual form of graphs, despite scientists routinely interpreting graphs visually. The paper organizes existing work into three threads—vision for graph reasoning, vision for graph learning, and scientific graphs—aiming to clarify current capabilities and chart a path toward foundation models that perceive and reason about graphs like scientists do.
Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order.
arXiv:2609.15668v1 Announce Type: cross Abstract: Through pre-training on extensive text and image datasets, current multi-modal large language models (MLLMs) achieve strong performance on general ta...
arXiv:2609.14779v1 Announce Type: new Abstract: Performing deliberate mathematical reasoning in visual contexts is a hallmark of advanced Multimodal Large Language Models (MLLMs) and requires a sophi...