Multi-Scale Feature Attention Network for Polymer Classification Using Terahertz Spectroscopy

Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging. Most machine learning approaches represent polymers as molecular graphs of a single repeating unit, thereby missing both the periodicity of polymer chains and many-body interactions beyond pairwise bonds. We introduce Periodic-TDL, a deep learning framework built on periodic Vietoris-Rips complexes that capture many-body interactions across multiple spatial scales, followed by a hierarchical simplicial message-passing (HSMP) encoder that propagates information from long-range interactions to covalent bonds, yielding representations enriched by higher-order topological features. Periodic-TDL outperforms all state-of-the-art models across polymer property prediction tasks spanning electronic, optical, physical, and thermal targets. Furthermore, we quantitatively validate how ester-to-amide substitution and $α$-methylation enhance thermal stability. Using a computationally synthesized dataset of 48,208 structures-generated via systematic substitution of acrylate and acrylamide polymers-we observed a mean $T_g$ increase of $\sim 55^\circ$C for ester-to-amide substitutions and $\sim 14^\circ$C for backbone $α$-methylation across matched polymer pairs. To verify these predicted trends, we use our Periodic-TDL model to analyze six novel polymer pairs from independent experimental measurements, including three newly synthesized polymers previously unreported in the literature. The experimental data successfully confirmed the model's predictions. Ultimately, these findings demonstrate that Periodic-TDL captures the underlying physical effects of specific functional group modifications, rather than merely optimizing predictive performance on benchmark datasets.

This work presents a data-efficient variant of the Attention-Based Dual-Branch Complex Feature Fusion Network (CFFN) for hyperspectral image classification. The proposed model, termed DE-CFFN, retains the original two-stream structure: the Real-Valued Neural Network (RVNN) processes standard hyperspectral patches, while the Complex-Valued Neural Network (CVNN) handles their Fourier-transformed counterparts. The main contribution of this work lies in the feature extraction process and architectural enhancement. Factor Analysis is used for dimensionality reduction, offering improved latent feature representation over Principal Component Analysis. Additionally, both the RVNN and CVNN streams are structurally modified by successively halving the number of filters in the 3D convolutional layers to reduce complexity. The outputs of both branches are concatenated and passed through a Squeeze and Excitation (SE) block to enhance joint feature representation. Evaluated on the Pavia University and Salinas datasets, DE-CFFN achieves classification performance comparable to CFFN, while significantly reducing model size, memory consumption, and inference latency, making it suitable for real-time hyperspectral imaging applications.

Hyperspectral imaging is widely used in remote sensing and engineering. Therefore, research on its classification methods is crucial. While CNN and Transformer-based methods have advanced, they still face locality constraints and high computational complexity. To address these issues, we propose an innovative hyperspectral image classification model, MSCM-net. Specifically, first of all, a model architecture combining multi-scale CNN and Mamba is proposed. It consists of a multi-scale feature extraction module (MCSE) and multiple stacked Mamba blocks, which integrates the local feature extraction capability of multi-scale CNN and the long sequence modeling advantage of Mamba. Secondly, the proposed MCSE module consists of multi-scale convolution and SENet. Convolution kernels of different scales extract local information with different receptive fields, enhancing the fusion of spatial and spectral information. Meanwhile, the SENet enables the model to automatically learn the importance of each channel in the multi-scale features. Furthermore, we also propose a dual-branch feature aggregation module, which further effectively extracts and integrates the spectral information contained in the central pixel and the spatial information in the surrounding pixels. Our model has undergone numerous experiments on three widely used benchmark datasets. The experimental results show that MSCM-net can achieve advanced classification performance while reducing computational complexity.