A new research framework is proposed to incorporate machine learning techniques into the field of experimental chemistry to facilitate chromatographic enantioseparation. A documentary dataset of chiral molecular retention times (CMRT dataset) in high-performance liquid chromatography is established to handle the challenge of data acquisition. Based on the CMRT dataset, a quantile geometry-enhanced graph neural network is proposed to learn the molecular structure-retention time relationship, which shows a satisfactory predictive ability for enantiomers. The domain knowledge of chromatography is incorporated into the machine learning model to achieve multi-column prediction, which paves the way for chromatographic enantioseparation prediction by calculating the separation probability. Experiments confirm that the proposed research framework works well in retention time prediction and chromatographic enantioseparation facilitation, which sheds light on the application of machine learning techniques to the experimental scene and improves the efficiency of experimenters to speed up scientific discovery.

Providing accurate estimated time of package delivery on users' purchasing pages for e-commerce platforms is of great importance to their purchasing decisions and post-purchase experiences. Although this problem shares some common issues with the conventional estimated time of arrival (ETA), it is more challenging with the following aspects: 1) Inductive inference. Models are required to predict ETA for orders with unseen retailers and addresses; 2) High-order interaction of order semantic information. Apart from the spatio-temporal features, the estimated time also varies greatly with other factors, such as the packaging efficiency of retailers, as well as the high-order interaction of these factors. In this paper, we propose an inductive graph transformer (IGT) that leverages raw feature information and structural graph data to estimate package delivery time. Different from previous graph transformer architectures, IGT adopts a decoupled pipeline and trains transformer as a regression function that can capture the multiplex information from both raw feature and dense embeddings encoded by a graph neural network (GNN). In addition, we further simplify the GNN structure by removing its non-linear activation and the learnable linear transformation matrix. The reduced parameter search space and linear information propagation in the simplified GNN enable the IGT to be applied in large-scale industrial scenarios. Experiments on real-world logistics datasets show that our proposed model can significantly outperform the state-of-the-art methods on estimation of delivery time. The source code is available at: https://github.com/enoche/IGT-WSDM23.

最近，一些基于跨度的方法实现了联合方面态度分析的令人鼓舞的表现，该方法首先通过检测方面边界来提取方面（方面提取），然后对跨度级别的情感（情感分类）进行分类。但是，大多数现有方法要么顺序提取特定于任务的功能，导致功能交互不足，要么以并行方式编码方面功能和情感功能，这意味着除输入共享外，每个任务中的特征表示形式在很大程度上彼此独立。他们俩都忽略了方面提取和情感分类之间的内部相关性。为了解决这个问题，我们在新颖地提出了一个层次交互式网络（HI-ASA），以适当地对两个任务之间的双向交互作用，其中层次交互涉及两个步骤：浅层相互作用和深层交互。首先，我们利用交叉缝制机制选择性地将不同的特定任务特征组合为输入，以确保正确的双向相互作用。其次，将共同信息技术应用于输出层中两个任务之间的互惠学习，因此方面输入和情感输入能够通过反向传播编码其他任务的特征。在三个现实世界数据集上进行的广泛实验证明了HI-ASA优于基准。

给定标签噪声的数据（即数据不正确），深神经网络将逐渐记住标签噪声和损害模型性能。为了减轻此问题，提出了课程学习，以通过在有意义的（例如，易于硬）序列中订购培训样本来提高模型性能和概括。先前的工作将错误的样本作为通用的硬性样本，而无需区分硬样品（即正确数据中的硬样品）和不正确的样本。确实，模型应该从硬样本中学习，以促进概括而不是过度拟合错误。在本文中，我们通过在现有的任务损失之外附加新颖的损失函数Indimloss来解决此问题。它的主要影响是在训练的早期阶段自动，稳定地估计简易样品和困难样本（包括硬和不正确的样品）的重要性，以改善模型性能。然后，在以下阶段中，歧视专门用于区分硬性和不正确样本以改善模型的概括。这种培训策略可以以自我监督的方式动态制定，从而有效地模仿课程学习的主要原则。关于图像分类，图像回归，文本序列回归和事件关系推理的实验证明了我们方法的多功能性和有效性，尤其是在存在多样化的噪声水平的情况下。

Unsupervised domain adaptation (UDA) for semantic segmentation is a promising task freeing people from heavy annotation work. However, domain discrepancies in low-level image statistics and high-level contexts compromise the segmentation performance over the target domain. A key idea to tackle this problem is to perform both image-level and feature-level adaptation jointly. Unfortunately, there is a lack of such unified approaches for UDA tasks in the existing literature. This paper proposes a novel UDA pipeline for semantic segmentation that unifies image-level and feature-level adaptation. Concretely, for image-level domain shifts, we propose a global photometric alignment module and a global texture alignment module that align images in the source and target domains in terms of image-level properties. For feature-level domain shifts, we perform global manifold alignment by projecting pixel features from both domains onto the feature manifold of the source domain; and we further regularize category centers in the source domain through a category-oriented triplet loss and perform target domain consistency regularization over augmented target domain images. Experimental results demonstrate that our pipeline significantly outperforms previous methods. In the commonly tested GTA5$\rightarrow$Cityscapes task, our proposed method using Deeplab V3+ as the backbone surpasses previous SOTA by 8%, achieving 58.2% in mIoU.

Compressed videos often exhibit visually annoying artifacts, known as Perceivable Encoding Artifacts (PEAs), which dramatically degrade video visual quality. Subjective and objective measures capable of identifying and quantifying various types of PEAs are critical in improving visual quality. In this paper, we investigate the influence of four spatial PEAs (i.e. blurring, blocking, bleeding, and ringing) and two temporal PEAs (i.e. flickering and floating) on video quality. For spatial artifacts, we propose a visual saliency model with a low computational cost and higher consistency with human visual perception. In terms of temporal artifacts, self-attention based TimeSFormer is improved to detect temporal artifacts. Based on the six types of PEAs, a quality metric called Saliency-Aware Spatio-Temporal Artifacts Measurement (SSTAM) is proposed. Experimental results demonstrate that the proposed method outperforms state-of-the-art metrics. We believe that SSTAM will be beneficial for optimizing video coding techniques.

Image Virtual try-on aims at replacing the cloth on a personal image with a garment image (in-shop clothes), which has attracted increasing attention from the multimedia and computer vision communities. Prior methods successfully preserve the character of clothing images, however, occlusion remains a pernicious effect for realistic virtual try-on. In this work, we first present a comprehensive analysis of the occlusions and categorize them into two aspects: i) Inherent-Occlusion: the ghost of the former cloth still exists in the try-on image; ii) Acquired-Occlusion: the target cloth warps to the unreasonable body part. Based on the in-depth analysis, we find that the occlusions can be simulated by a novel semantically-guided mixup module, which can generate semantic-specific occluded images that work together with the try-on images to facilitate training a de-occlusion try-on (DOC-VTON) framework. Specifically, DOC-VTON first conducts a sharpened semantic parsing on the try-on person. Aided by semantics guidance and pose prior, various complexities of texture are selectively blending with human parts in a copy-and-paste manner. Then, the Generative Module (GM) is utilized to take charge of synthesizing the final try-on image and learning to de-occlusion jointly. In comparison to the state-of-the-art methods, DOC-VTON achieves better perceptual quality by reducing occlusion effects.

Panoptic Part Segmentation (PPS) unifies panoptic segmentation and part segmentation into one task. Previous works utilize separated approaches to handle thing, stuff, and part predictions without shared computation and task association. We aim to unify these tasks at the architectural level, designing the first end-to-end unified framework named Panoptic-PartFormer. Moreover, we find the previous metric PartPQ biases to PQ. To handle both issues, we make the following contributions: Firstly, we design a meta-architecture that decouples part feature and things/stuff feature, respectively. We model things, stuff, and parts as object queries and directly learn to optimize all three forms of prediction as a unified mask prediction and classification problem. We term our model as Panoptic-PartFormer. Secondly, we propose a new metric Part-Whole Quality (PWQ) to better measure such task from both pixel-region and part-whole perspectives. It can also decouple the error for part segmentation and panoptic segmentation. Thirdly, inspired by Mask2Former, based on our meta-architecture, we propose Panoptic-PartFormer++ and design a new part-whole cross attention scheme to further boost part segmentation qualities. We design a new part-whole interaction method using masked cross attention. Finally, the extensive ablation studies and analysis demonstrate the effectiveness of both Panoptic-PartFormer and Panoptic-PartFormer++. Compared with previous Panoptic-PartFormer, our Panoptic-PartFormer++ achieves 2% PartPQ and 3% PWQ improvements on the Cityscapes PPS dataset and 5% PartPQ on the Pascal Context PPS dataset. On both datasets, Panoptic-PartFormer++ achieves new state-of-the-art results with a significant cost drop of 70% on GFlops and 50% on parameters. Our models can serve as a strong baseline and aid future research in PPS. Code will be available.

In recent years, the Transformer architecture has shown its superiority in the video-based person re-identification task. Inspired by video representation learning, these methods mainly focus on designing modules to extract informative spatial and temporal features. However, they are still limited in extracting local attributes and global identity information, which are critical for the person re-identification task. In this paper, we propose a novel Multi-Stage Spatial-Temporal Aggregation Transformer (MSTAT) with two novel designed proxy embedding modules to address the above issue. Specifically, MSTAT consists of three stages to encode the attribute-associated, the identity-associated, and the attribute-identity-associated information from the video clips, respectively, achieving the holistic perception of the input person. We combine the outputs of all the stages for the final identification. In practice, to save the computational cost, the Spatial-Temporal Aggregation (STA) modules are first adopted in each stage to conduct the self-attention operations along the spatial and temporal dimensions separately. We further introduce the Attribute-Aware and Identity-Aware Proxy embedding modules (AAP and IAP) to extract the informative and discriminative feature representations at different stages. All of them are realized by employing newly designed self-attention operations with specific meanings. Moreover, temporal patch shuffling is also introduced to further improve the robustness of the model. Extensive experimental results demonstrate the effectiveness of the proposed modules in extracting the informative and discriminative information from the videos, and illustrate the MSTAT can achieve state-of-the-art accuracies on various standard benchmarks.

This paper illustrates the technologies of user next intent prediction with a concept knowledge graph. The system has been deployed on the Web at Alipay, serving more than 100 million daily active users. Specifically, we propose AlipayKG to explicitly characterize user intent, which is an offline concept knowledge graph in the Life-Service domain modeling the historical behaviors of users, the rich content interacted by users and the relations between them. We further introduce a Transformer-based model which integrates expert rules from the knowledge graph to infer the online user's next intent. Experimental results demonstrate that the proposed system can effectively enhance the performance of the downstream tasks while retaining explainability.