There is increasing adoption of artificial intelligence in drug discovery. However, existing works use machine learning to mainly utilize the chemical structures of molecules yet ignore the vast textual knowledge available in chemistry. Incorporating textual knowledge enables us to realize new drug design objectives, adapt to text-based instructions, and predict complex biological activities. We present a multi-modal molecule structure-text model, MoleculeSTM, by jointly learning molecule's chemical structures and textual descriptions via a contrastive learning strategy. To train MoleculeSTM, we construct the largest multi-modal dataset to date, namely PubChemSTM, with over 280K chemical structure-text pairs. To demonstrate the effectiveness and utility of MoleculeSTM, we design two challenging zero-shot tasks based on text instructions, including structure-text retrieval and molecule editing. MoleculeSTM possesses two main properties: open vocabulary and compositionality via natural language. In experiments, MoleculeSTM obtains the state-of-the-art generalization ability to novel biochemical concepts across various benchmarks.

Time series anomaly detection strives to uncover potential abnormal behaviors and patterns from temporal data, and has fundamental significance in diverse application scenarios. Constructing an effective detection model usually requires adequate training data stored in a centralized manner, however, this requirement sometimes could not be satisfied in realistic scenarios. As a prevailing approach to address the above problem, federated learning has demonstrated its power to cooperate with the distributed data available while protecting the privacy of data providers. However, it is still unclear that how existing time series anomaly detection algorithms perform with decentralized data storage and privacy protection through federated learning. To study this, we conduct a federated time series anomaly detection benchmark, named FedTADBench, which involves five representative time series anomaly detection algorithms and four popular federated learning methods. We would like to answer the following questions: (1)How is the performance of time series anomaly detection algorithms when meeting federated learning? (2) Which federated learning method is the most appropriate one for time series anomaly detection? (3) How do federated time series anomaly detection approaches perform on different partitions of data in clients? Numbers of results as well as corresponding analysis are provided from extensive experiments with various settings. The source code of our benchmark is publicly available at https://github.com/fanxingliu2020/FedTADBench.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

Zero-shot cross-lingual named entity recognition (NER) aims at transferring knowledge from annotated and rich-resource data in source languages to unlabeled and lean-resource data in target languages. Existing mainstream methods based on the teacher-student distillation framework ignore the rich and complementary information lying in the intermediate layers of pre-trained language models, and domain-invariant information is easily lost during transfer. In this study, a mixture of short-channel distillers (MSD) method is proposed to fully interact the rich hierarchical information in the teacher model and to transfer knowledge to the student model sufficiently and efficiently. Concretely, a multi-channel distillation framework is designed for sufficient information transfer by aggregating multiple distillers as a mixture. Besides, an unsupervised method adopting parallel domain adaptation is proposed to shorten the channels between the teacher and student models to preserve domain-invariant features. Experiments on four datasets across nine languages demonstrate that the proposed method achieves new state-of-the-art performance on zero-shot cross-lingual NER and shows great generalization and compatibility across languages and fields.

Generalizable 3D part segmentation is important but challenging in vision and robotics. Training deep models via conventional supervised methods requires large-scale 3D datasets with fine-grained part annotations, which are costly to collect. This paper explores an alternative way for low-shot part segmentation of 3D point clouds by leveraging a pretrained image-language model, GLIP, which achieves superior performance on open-vocabulary 2D detection. We transfer the rich knowledge from 2D to 3D through GLIP-based part detection on point cloud rendering and a novel 2D-to-3D label lifting algorithm. We also utilize multi-view 3D priors and few-shot prompt tuning to boost performance significantly. Extensive evaluation on PartNet and PartNet-Mobility datasets shows that our method enables excellent zero-shot 3D part segmentation. Our few-shot version not only outperforms existing few-shot approaches by a large margin but also achieves highly competitive results compared to the fully supervised counterpart. Furthermore, we demonstrate that our method can be directly applied to iPhone-scanned point clouds without significant domain gaps.

When facing changing environments in the real world, the lightweight model on client devices suffers from severe performance drops under distribution shifts. The main limitations of the existing device model lie in (1) unable to update due to the computation limit of the device, (2) the limited generalization ability of the lightweight model. Meanwhile, recent large models have shown strong generalization capability on the cloud while they can not be deployed on client devices due to poor computation constraints. To enable the device model to deal with changing environments, we propose a new learning paradigm of Cloud-Device Collaborative Continual Adaptation, which encourages collaboration between cloud and device and improves the generalization of the device model. Based on this paradigm, we further propose an Uncertainty-based Visual Prompt Adapted (U-VPA) teacher-student model to transfer the generalization capability of the large model on the cloud to the device model. Specifically, we first design the Uncertainty Guided Sampling (UGS) to screen out challenging data continuously and transmit the most out-of-distribution samples from the device to the cloud. Then we propose a Visual Prompt Learning Strategy with Uncertainty guided updating (VPLU) to specifically deal with the selected samples with more distribution shifts. We transmit the visual prompts to the device and concatenate them with the incoming data to pull the device testing distribution closer to the cloud training distribution. We conduct extensive experiments on two object detection datasets with continually changing environments. Our proposed U-VPA teacher-student framework outperforms previous state-of-the-art test time adaptation and device-cloud collaboration methods. The code and datasets will be released.

Process mining is a methodology for the derivation and analysis of process models based on the event log. When process mining is employed to analyze business processes, the process discovery step, the conformance checking step, and the enhancements step are repeated. If a user wants to analyze a process from multiple perspectives (such as activity perspectives, originator perspectives, and time perspectives), the above procedure, inconveniently, has to be repeated over and over again. Although past studies involving process mining have applied detailed stepwise methodologies, no attempt has been made to incorporate and optimize multi-perspective process mining procedures. This paper contributes to developing a solution approach to this problem. First, we propose an automatic discovery framework of a multi-perspective process model based on deep Q-Learning. Our Dual Experience Replay with Experience Distribution (DERED) approach can automatically perform process model discovery steps, conformance check steps, and enhancements steps. Second, we propose a new method that further optimizes the experience replay (ER) method, one of the key algorithms of deep Q-learning, to improve the learning performance of reinforcement learning agents. Finally, we validate our approach using six real-world event datasets collected in port logistics, steel manufacturing, finance, IT, and government administration. We show that our DERED approach can provide users with multi-perspective, high-quality process models that can be employed more conveniently for multi-perspective process mining.

With the emergence of deep learning, metric learning has gained significant popularity in numerous machine learning tasks dealing with complex and large-scale datasets, such as information retrieval, object recognition and recommendation systems. Metric learning aims to maximize and minimize inter- and intra-class similarities. However, existing models mainly rely on distance measures to obtain a separable embedding space and implicitly maximize the intra-class similarity while neglecting the inter-class relationship. We argue that to enable metric learning as a service for high-performance deep learning applications, we should also wisely deal with inter-class relationships to obtain a more advanced and meaningful embedding space representation. In this paper, a novel metric learning is presented as a service methodology that incorporates covariance to signify the direction of the linear relationship between data points in an embedding space. Unlike conventional metric learning, our covariance-embedding-enhanced approach enables metric learning as a service to be more expressive for computing similar or dissimilar measures and can capture positive, negative, or neutral relationships. Extensive experiments conducted using various benchmark datasets, including natural, biomedical, and facial images, demonstrate that the proposed model as a service with covariance-embedding optimizations can obtain higher-quality, more separable, and more expressive embedding representations than existing models.

With the demand for standardized large-scale livestock farming and the development of artificial intelligence technology, a lot of research in area of animal face recognition were carried on pigs, cattle, sheep and other livestock. Face recognition consists of three sub-task: face detection, face normalizing and face identification. Most of animal face recognition study focuses on face detection and face identification. Animals are often uncooperative when taking photos, so the collected animal face images are often in arbitrary directions. The use of non-standard images may significantly reduce the performance of face recognition system. However, there is no study on normalizing of the animal face image with arbitrary directions. In this study, we developed a light-weight angle detection and region-based convolutional network (LAD-RCNN) containing a new rotation angle coding method that can detect the rotation angle and the location of animal face in one-stage. LAD-RCNN has a frame rate of 72.74 FPS (including all steps) on a single GeForce RTX 2080 Ti GPU. LAD-RCNN has been evaluated on multiple dataset including goat dataset and gaot infrared image. Evaluation result show that the AP of face detection was more than 95% and the deviation between the detected rotation angle and the ground-truth rotation angle were less than 0.036 (i.e. 6.48{\deg}) on all the test dataset. This shows that LAD-RCNN has excellent performance on livestock face and its direction detection, and therefore it is very suitable for livestock face detection and Normalizing. Code is available at https://github.com/SheepBreedingLab-HZAU/LAD-RCNN/

由于其交易实体的伪匿名性质，比特币比任何其他金融资产都更频繁地进行非法活动。理想的检测模型有望实现（i）早期检测，（ii）良好的解释性和（iii）多功能性的所有三个特性。但是，现有的解决方案无法满足所有这些要求，因为它们中的大多数都在不满意的情况下严重依赖深度学习，并且仅用于对特定非法类型的回顾性分析。首先，我们提出资产转移路径，旨在描述解决早期特征。接下来，采用基于决策树的特征选择和分割策略，我们将整个观察期分为不同的段，并将每个段作为段向量进行编码。聚集了所有这些段向量后，我们获得了全局状态向量，本质上是描述整体意图的基本单元。最后，一个层次自我注意力预测指标可以实时预测给定地址的标签。生存模块告诉预测因子何时停止并提出状态序列，即意图。 ％依赖类型的选择策略和全球状态向量，我们的模型可用于检测具有强大解释性的各种非法活动。精心设计的预测指标和特定的损失功能可以进一步增强模型的预测速度和解释性。在三个现实世界数据集上进行的广泛实验表明，我们提出的算法优于最先进的方法。此外，其他案例研究证明我们的模型不仅可以解释现有的非法模式，还可以找到新的可疑字符。