MCGM: Multi-stage Clustered Global Modeling for Long-range Interactions in Molecules

Geometric graph neural networks (GNNs) excel at capturing molecular geometry, yet their locality-biased message passing hampers the modeling of long-range interactions. Current solutions have fundamental limitations: extending cutoff radii causes computational costs to scale cubically with distance; physics-inspired kernels (e.g., Coulomb, dispersion) are often system-specific and lack generality; Fourier-space methods require careful tuning of multiple parameters (e.g., mesh size, k-space cutoff) with added computational overhead. We introduce Multi-stage Clustered Global Modeling (MCGM), a lightweight, plug-and-play module that endows geometric GNNs with hierarchical global context through efficient clustering operations. MCGM builds a multi-resolution hierarchy of atomic clusters, distills global information via dynamic hierarchical clustering, and propagates this context back through learned transformations, ultimately reinforcing atomic features via residual connections. Seamlessly integrated into four diverse backbone architectures, MCGM reduces OE62 energy prediction error by an average of 26.2%. On AQM, MCGM achieves state-of-the-art accuracy (17.0 meV for energy, 4.9 meV/{\AA} for forces) while using 20% fewer parameters than Neural P3M. Code will be made available upon acceptance.

Multi-scale Adaptive Fusion Network for Hyperspectral Image Denoising

Removing the noise and improving the visual quality of hyperspectral images (HSIs) is challenging in academia and industry. Great efforts have been made to leverage local, global or spectral context information for HSI denoising. However, existing methods still have limitations in feature interaction exploitation among multiple scales and rich spectral structure preservation. In view of this, we propose a novel solution to investigate the HSI denoising using a Multi-scale Adaptive Fusion Network (MAFNet), which can learn the complex nonlinear mapping between clean and noisy HSI. Two key components contribute to improving the hyperspectral image denoising: A progressively multiscale information aggregation network and a co-attention fusion module. Specifically, we first generate a set of multiscale images and feed them into a coarse-fusion network to exploit the contextual texture correlation. Thereafter, a fine fusion network is followed to exchange the information across the parallel multiscale subnetworks. Furthermore, we design a co-attention fusion module to adaptively emphasize informative features from different scales, and thereby enhance the discriminative learning capability for denoising. Extensive experiments on synthetic and real HSI datasets demonstrate that the proposed MAFNet has achieved better denoising performance than other state-of-the-art techniques. Our codes are available at \verb'https://github.com/summitgao/MAFNet'.