Data and Code for Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps

This repository contains the data, code, and supporting outputs for the manuscript Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps. It documents a fixed-parameter pipeline that transforms infrared vibrational spectral peak structure into two synchronized representations: an additive-synthesis audio signal and a Polar Intensity-Frequency Map (PIFM), a bounded polar visual descriptor derived from the same peak list. The archive supports a compact six-molecule validation set constructed from publicly available condensed-phase IR spectra in the NIST Chemistry WebBook. It includes the dataset manifest, per-molecule peak tables, fixed configuration files, feature-extraction and benchmarking scripts, representative rendered outputs, checksums, and supplementary indexing materials needed to reproduce the archived results. The benchmark evaluates whether audio-derived machine-readable features preserve similarity structure from the source spectral representation under a deterministic mapping and shared preprocessing rules. This Zenodo record is intended to serve as the citable, versioned research archive for the submission. It preserves the exact materials associated with the manuscript version referenced in the paper and provides a stable DOI for data and code availability statements. Archive contents dataset manifest files per-molecule extracted peak tables fixed parameter/configuration files rendering scripts feature extraction and benchmark scripts archived benchmark outputs representative audio and visual outputs checksums and file index documentation Source data note All source spectra used to construct the validation set are publicly available from the NIST Chemistry WebBook. This archive contains the derived and reproducibility-critical materials used in the manuscript workflow.本仓库包含论文《Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps》（确定性跨模态编码：将红外振动光谱转换为同步音频与极坐标强度-频率映射）所使用的数据、代码与辅助输出结果。该工作阐述了一套固定参数流程，可将红外振动光谱的峰结构转换为两种同步表征形式：一是加性合成音频信号，二是极坐标强度-频率映射（Polar Intensity-Frequency Maps，PIFM）——一种由同一峰列表衍生的有界极坐标视觉描述符。 本归档包含由NIST Chemistry WebBook中公开的凝聚相红外光谱构建的小型六分子验证集。归档内容涵盖数据集清单、单分子峰表、固定配置文件、特征提取与基准测试脚本、典型渲染输出结果、校验和，以及复现该归档结果所需的辅助索引材料。该基准测试用于评估在确定性映射与共享预处理规则下，由音频提取的机器可读特征是否能够保留源光谱表征的相似性结构。 本Zenodo记录旨在作为投稿的可引用、带版本号的研究归档，保留与论文中引用的手稿版本完全一致的材料，并为数据与代码可用性声明提供稳定的数字对象标识符（Digital Object Identifier，DOI）。 ### 归档内容 - 数据集清单文件 - 单分子提取峰表 - 固定参数/配置文件 - 渲染脚本 - 特征提取与基准测试脚本 - 归档基准测试输出结果 - 典型音视频输出结果 - 校验和与文件索引文档 ### 源数据说明 所有用于构建验证集的源光谱均可从NIST Chemistry WebBook公开获取。本归档包含手稿研究流程中使用的衍生数据与复现关键材料。