Effective generation of molecular structures, or new chemical entities, that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite advancements in atom- and motif-wise deep learning models for 3D molecular generation, current methods often struggle with validity and reliability. To address these issues, we develop the Atom-Motif Consistency Diffusion Model (AMDiff), utilizing a joint-training paradigm for multi-view learning. This model features a hierarchical diffusion architecture that integrates both atom- and motif-level views of molecules, allowing for comprehensive exploration of complementary information. By leveraging classifier-free guidance and incorporating binding site features as conditional inputs, AMDiff ensures robust molecule generation across diverse targets. Compared to existing approaches, AMDiff exhibits superior validity and novelty in generating molecules tailored to fit various protein pockets. Case studies targeting protein kinases, including Anaplastic Lymphoma Kinase (ALK) and Cyclin-dependent kinase 4 (CDK4), demonstrate the model's capability in structure-based de novo drug design. Overall, AMDiff bridges the gap between atom-view and motif-view drug discovery and speeds up the process of target-aware molecular generation.

Detecting clouds and snow in remote sensing images is an essential preprocessing task for remote sensing imagery. Previous works draw inspiration from semantic segmentation models in computer vision, with most research focusing on improving model architectures to enhance detection performance. However, unlike natural images, the complexity of scenes and the diversity of cloud types in remote sensing images result in many inaccurate labels in cloud and snow detection datasets, introducing unnecessary noises into the training and testing processes. By constructing a new dataset and proposing a novel training strategy with the curriculum learning paradigm, we guide the model in reducing overfitting to noisy labels. Additionally, we design a more appropriate model performance evaluation method, that alleviates the performance assessment bias caused by noisy labels. By conducting experiments on models with UNet and Segformer, we have validated the effectiveness of our proposed method. This paper is the first to consider the impact of label noise on the detection of clouds and snow in remote sensing images.

Recently, utilizing deep neural networks to build the opendomain dialogue models has become a hot topic. However, the responses generated by these models suffer from many problems such as responses not being contextualized and tend to generate generic responses that lack information content, damaging the user's experience seriously. Therefore, many studies try introducing more information into the dialogue models to make the generated responses more vivid and informative. Unlike them, this paper improves the quality of generated responses by learning the implicit pattern information between contexts and responses in the training samples. In this paper, we first build an open-domain dialogue model based on the pre-trained language model (i.e., GPT-2). And then, an improved scheduled sampling method is proposed for pre-trained models, by which the responses can be used to guide the response generation in the training phase while avoiding the exposure bias problem. More importantly, we design a response-aware mechanism for mining the implicit pattern information between contexts and responses so that the generated replies are more diverse and approximate to human replies. Finally, we evaluate the proposed model (RAD) on the Persona-Chat and DailyDialog datasets; and the experimental results show that our model outperforms the baselines on most automatic and manual metrics.

The mainstream CNN-based remote sensing (RS) image semantic segmentation approaches typically rely on massive labeled training data. Such a paradigm struggles with the problem of RS multi-view scene segmentation with limited labeled views due to the lack of considering 3D information within the scene. In this paper, we propose ''Implicit Ray-Transformer (IRT)'' based on Implicit Neural Representation (INR), for RS scene semantic segmentation with sparse labels (such as 4-6 labels per 100 images). We explore a new way of introducing multi-view 3D structure priors to the task for accurate and view-consistent semantic segmentation. The proposed method includes a two-stage learning process. In the first stage, we optimize a neural field to encode the color and 3D structure of the remote sensing scene based on multi-view images. In the second stage, we design a Ray Transformer to leverage the relations between the neural field 3D features and 2D texture features for learning better semantic representations. Different from previous methods that only consider 3D prior or 2D features, we incorporate additional 2D texture information and 3D prior by broadcasting CNN features to different point features along the sampled ray. To verify the effectiveness of the proposed method, we construct a challenging dataset containing six synthetic sub-datasets collected from the Carla platform and three real sub-datasets from Google Maps. Experiments show that the proposed method outperforms the CNN-based methods and the state-of-the-art INR-based segmentation methods in quantitative and qualitative metrics.