Advancing Drug Discovery with Enhanced Chemical Understanding via Asymmetric Contrastive Multimodal LearningYifei Wang, Yunrui Li, Lin Liu et al.
The versatility of multimodal deep learning holds tremendous promise for advancing scientific research and practical applications. As this field continues to evolve, the collective power of cross-modal analysis promises to drive transformative innovations, opening new frontiers in chemical understanding and drug discovery. Hence, we introduce Asymmetric Contrastive Multimodal Learning (ACML), a specifically designed approach to enhance molecular understanding and accelerate advancements in drug discovery. ACML harnesses the power of effective asymmetric contrastive learning to seamlessly transfer information from various chemical modalities to molecular graph representations. By combining pre-trained chemical unimodal encoders and a shallow-designed graph encoder with 5 layers, ACML facilitates the assimilation of coordinated chemical semantics from different modalities, leading to comprehensive representation learning with efficient training. We demonstrate the effectiveness of this framework through large-scale cross-modality retrieval and isomer discrimination tasks. Additionally, ACML enhances interpretability by revealing chemical semantics in graph presentations and bolsters the expressive power of graph neural networks, as evidenced by improved performance in molecular property prediction tasks from MoleculeNet and Therapeutics Data Commons (TDC). Ultimately, ACML exemplifies its potential to revolutionize molecular representational learning, offering deeper insights into the chemical semantics of diverse modalities and paving the way for groundbreaking advancements in chemical research and drug discovery.
OMNet: Learning Overlapping Mask for Partial-to-Partial Point Cloud RegistrationHao Xu, Shuaicheng Liu, Guangfu Wang et al.
Point cloud registration is a key task in many computational fields. Previous correspondence matching based methods require the inputs to have distinctive geometric structures to fit a 3D rigid transformation according to point-wise sparse feature matches. However, the accuracy of transformation heavily relies on the quality of extracted features, which are prone to errors with respect to partiality and noise. In addition, they can not utilize the geometric knowledge of all the overlapping regions. On the other hand, previous global feature based approaches can utilize the entire point cloud for the registration, however they ignore the negative effect of non-overlapping points when aggregating global features. In this paper, we present OMNet, a global feature based iterative network for partial-to-partial point cloud registration. We learn overlapping masks to reject non-overlapping regions, which converts the partial-to-partial registration to the registration of the same shape. Moreover, the previously used data is sampled only once from the CAD models for each object, resulting in the same point clouds for the source and reference. We propose a more practical manner of data generation where a CAD model is sampled twice for the source and reference, avoiding the previously prevalent over-fitting issue. Experimental results show that our method achieves state-of-the-art performance compared to traditional and deep learning based methods. Code is available at https://github.com/megvii-research/OMNet.
11.8CVAug 4, 2025
DreamPainter: Image Background Inpainting for E-commerce ScenariosSijie Zhao, Jing Cheng, Yaoyao Wu et al.
Although diffusion-based image genenation has been widely explored and applied, background generation tasks in e-commerce scenarios still face significant challenges. The first challenge is to ensure that the generated products are consistent with the given product inputs while maintaining a reasonable spatial arrangement, harmonious shadows, and reflections between foreground products and backgrounds. Existing inpainting methods fail to address this due to the lack of domain-specific data. The second challenge involves the limitation of relying solely on text prompts for image control, as effective integrating visual information to achieve precise control in inpainting tasks remains underexplored. To address these challenges, we introduce DreamEcom-400K, a high-quality e-commerce dataset containing accurate product instance masks, background reference images, text prompts, and aesthetically pleasing product images. Based on this dataset, we propose DreamPainter, a novel framework that not only utilizes text prompts for control but also flexibly incorporates reference image information as an additional control signal. Extensive experiments demonstrate that our approach significantly outperforms state-of-the-art methods, maintaining high product consistency while effectively integrating both text prompt and reference image information.
6.5CVFeb 20, 2021
EMDS-5: Environmental Microorganism Image Dataset Fifth Version for Multiple Image Analysis TasksZihan Li, Chen Li, Yudong Yao et al.
Environmental Microorganism Data Set Fifth Version (EMDS-5) is a microscopic image dataset including original Environmental Microorganism (EM) images and two sets of Ground Truth (GT) images. The GT image sets include a single-object GT image set and a multi-object GT image set. The EMDS-5 dataset has 21 types of EMs, each of which contains 20 original EM images, 20 single-object GT images and 20 multi-object GT images. EMDS-5 can realize to evaluate image preprocessing, image segmentation, feature extraction, image classification and image retrieval functions. In order to prove the effectiveness of EMDS-5, for each function, we select the most representative algorithms and price indicators for testing and evaluation. The image preprocessing functions contain two parts: image denoising and image edge detection. Image denoising uses nine kinds of filters to denoise 13 kinds of noises, respectively. In the aspect of edge detection, six edge detection operators are used to detect the edges of the images, and two evaluation indicators, peak-signal to noise ratio and mean structural similarity, are used for evaluation. Image segmentation includes single-object image segmentation and multi-object image segmentation. Six methods are used for single-object image segmentation, while k-means and U-net are used for multi-object segmentation.We extract nine features from the images in EMDS-5 and use the Support Vector Machine classifier for testing. In terms of image classification, we select the VGG16 feature to test different classifiers. We test two types of retrieval approaches: texture feature retrieval and deep learning feature retrieval. We select the last layer of features of these two deep learning networks as feature vectors. We use mean average precision as the evaluation index for retrieval.