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Collaborating Authors

 Fan, Hang


Satellite Observations Guided Diffusion Model for Accurate Meteorological States at Arbitrary Resolution

arXiv.org Artificial Intelligence

Accurate acquisition of surface meteorological conditions at arbitrary locations holds significant importance for weather forecasting and climate simulation. Due to the fact that meteorological states derived from satellite observations are often provided in the form of low-resolution grid fields, the direct application of spatial interpolation to obtain meteorological states for specific locations often results in significant discrepancies when compared to actual observations. Existing downscaling methods for acquiring meteorological state information at higher resolutions commonly overlook the correlation with satellite observations. To bridge the gap, we propose Satellite-observations Guided Diffusion Model (SGD), a conditional diffusion model pre-trained on ERA5 reanalysis data with satellite observations (GridSat) as conditions, which is employed for sampling downscaled meteorological states through a zero-shot guided sampling strategy and patch-based methods. During the training process, we propose to fuse the information from GridSat satellite observations into ERA5 maps via the attention mechanism, enabling SGD to generate atmospheric states that align more accurately with actual conditions. In the sampling, we employed optimizable convolutional kernels to simulate the upscale process, thereby generating high-resolution ERA5 maps using low-resolution ERA5 maps as well as observations from weather stations as guidance. Moreover, our devised patch-based method promotes SGD to generate meteorological states at arbitrary resolutions. Experiments demonstrate SGD fulfills accurate meteorological states downscaling to 6.25km.


Leveraging Induced Transferable Binding Principles for Associative Prediction of Novel Drug-Target Interactions

arXiv.org Artificial Intelligence

Significant differences in protein structures hinder the generalization of existing drug-target interaction (DTI) models, which often rely heavily on pre-learned binding principles or detailed annotations. In contrast, BioBridge designs an Inductive-Associative pipeline inspired by the workflow of scientists who base their accumulated expertise on drawing insights into novel drug-target pairs from weakly related references. BioBridge predicts novel drug-target interactions using limited sequence data, incorporating multi-level encoders with adversarial training to accumulate transferable binding principles. On these principles basis, BioBridge employs a dynamic prototype meta-learning framework to associate insights from weakly related annotations, enabling robust predictions for previously unseen drug-target pairs. Extensive experiments demonstrate that BioBridge surpasses existing models, especially for unseen proteins. Notably, when only homologous protein binding data is available, BioBridge proves effective for virtual screening of the epidermal growth factor receptor and adenosine receptor, underscoring its potential in drug discovery.