蛋白质 - 蛋白质相互作用（PPI）网络由生物体的蛋白质之间的物理和/或功能相互作用组成。由于用于形成PPI网络的生物物理和高通量方法是昂贵的，耗时的，而且通常包含不准确性，因此最终的网络通常不完整。为了推断这些网络中缺少的相互作用，我们提出了基于连续的经典和量子随机步行的新型链接预测方法。在量子步行的情况下，我们检查了网络邻接和拉普拉斯矩阵的用法来控制步行动力学。我们根据相应的过渡概率定义得分函数，并在四个现实世界PPI数据集上执行测试。我们的结果表明，使用网络邻接矩阵的连续时间经典随机步行和量子步行可以成功预测缺失的蛋白质 - 蛋白质相互作用，并且性能与艺术的状态媲美。

There are multiple scales of abstraction from which we can describe the same image, depending on whether we are focusing on fine-grained details or a more global attribute of the image. In brain mapping, learning to automatically parse images to build representations of both small-scale features (e.g., the presence of cells or blood vessels) and global properties of an image (e.g., which brain region the image comes from) is a crucial and open challenge. However, most existing datasets and benchmarks for neuroanatomy consider only a single downstream task at a time. To bridge this gap, we introduce a new dataset, annotations, and multiple downstream tasks that provide diverse ways to readout information about brain structure and architecture from the same image. Our multi-task neuroimaging benchmark (MTNeuro) is built on volumetric, micrometer-resolution X-ray microtomography images spanning a large thalamocortical section of mouse brain, encompassing multiple cortical and subcortical regions. We generated a number of different prediction challenges and evaluated several supervised and self-supervised models for brain-region prediction and pixel-level semantic segmentation of microstructures. Our experiments not only highlight the rich heterogeneity of this dataset, but also provide insights into how self-supervised approaches can be used to learn representations that capture multiple attributes of a single image and perform well on a variety of downstream tasks. Datasets, code, and pre-trained baseline models are provided at: https://mtneuro.github.io/ .

The previous fine-grained datasets mainly focus on classification and are often captured in a controlled setup, with the camera focusing on the objects. We introduce the first Fine-Grained Vehicle Detection (FGVD) dataset in the wild, captured from a moving camera mounted on a car. It contains 5502 scene images with 210 unique fine-grained labels of multiple vehicle types organized in a three-level hierarchy. While previous classification datasets also include makes for different kinds of cars, the FGVD dataset introduces new class labels for categorizing two-wheelers, autorickshaws, and trucks. The FGVD dataset is challenging as it has vehicles in complex traffic scenarios with intra-class and inter-class variations in types, scale, pose, occlusion, and lighting conditions. The current object detectors like yolov5 and faster RCNN perform poorly on our dataset due to a lack of hierarchical modeling. Along with providing baseline results for existing object detectors on FGVD Dataset, we also present the results of a combination of an existing detector and the recent Hierarchical Residual Network (HRN) classifier for the FGVD task. Finally, we show that FGVD vehicle images are the most challenging to classify among the fine-grained datasets.

Explainability is a vibrant research topic in the artificial intelligence community, with growing interest across methods and domains. Much has been written about the topic, yet explainability still lacks shared terminology and a framework capable of providing structural soundness to explanations. In our work, we address these issues by proposing a novel definition of explanation that is a synthesis of what can be found in the literature. We recognize that explanations are not atomic but the product of evidence stemming from the model and its input-output and the human interpretation of this evidence. Furthermore, we fit explanations into the properties of faithfulness (i.e., the explanation being a true description of the model's decision-making) and plausibility (i.e., how much the explanation looks convincing to the user). Using our proposed theoretical framework simplifies how these properties are ope rationalized and provide new insight into common explanation methods that we analyze as case studies.

Fruit is a key crop in worldwide agriculture feeding millions of people. The standard supply chain of fruit products involves quality checks to guarantee freshness, taste, and, most of all, safety. An important factor that determines fruit quality is its stage of ripening. This is usually manually classified by experts in the field, which makes it a labor-intensive and error-prone process. Thus, there is an arising need for automation in the process of fruit ripeness classification. Many automatic methods have been proposed that employ a variety of feature descriptors for the food item to be graded. Machine learning and deep learning techniques dominate the top-performing methods. Furthermore, deep learning can operate on raw data and thus relieve the users from having to compute complex engineered features, which are often crop-specific. In this survey, we review the latest methods proposed in the literature to automatize fruit ripeness classification, highlighting the most common feature descriptors they operate on.

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph. HNN derives multiple embeddings per node in the hypergraph where each embedding for a node is dependent on a specific hyperedge of that node. Notably, HNN is accurate, data-efficient, flexible with many interchangeable components, and useful for a wide range of hypergraph learning tasks. We evaluate the effectiveness of the HNN framework for hyperedge prediction and hypergraph node classification. We find that HNN achieves an overall mean gain of 7.72% and 11.37% across all baseline models and graphs for hyperedge prediction and hypergraph node classification, respectively.

Graph Neural Networks (GNNs) have become increasingly important in recent years due to their state-of-the-art performance on many important downstream applications. Existing GNNs have mostly focused on learning a single node representation, despite that a node often exhibits polysemous behavior in different contexts. In this work, we develop a persona-based graph neural network framework called PersonaSAGE that learns multiple persona-based embeddings for each node in the graph. Such disentangled representations are more interpretable and useful than a single embedding. Furthermore, PersonaSAGE learns the appropriate set of persona embeddings for each node in the graph, and every node can have a different number of assigned persona embeddings. The framework is flexible enough and the general design helps in the wide applicability of the learned embeddings to suit the domain. We utilize publicly available benchmark datasets to evaluate our approach and against a variety of baselines. The experiments demonstrate the effectiveness of PersonaSAGE for a variety of important tasks including link prediction where we achieve an average gain of 15% while remaining competitive for node classification. Finally, we also demonstrate the utility of PersonaSAGE with a case study for personalized recommendation of different entity types in a data management platform.

Rigorous guarantees about the performance of predictive algorithms are necessary in order to ensure their responsible use. Previous work has largely focused on bounding the expected loss of a predictor, but this is not sufficient in many risk-sensitive applications where the distribution of errors is important. In this work, we propose a flexible framework to produce a family of bounds on quantiles of the loss distribution incurred by a predictor. Our method takes advantage of the order statistics of the observed loss values rather than relying on the sample mean alone. We show that a quantile is an informative way of quantifying predictive performance, and that our framework applies to a variety of quantile-based metrics, each targeting important subsets of the data distribution. We analyze the theoretical properties of our proposed method and demonstrate its ability to rigorously control loss quantiles on several real-world datasets.

In the Earth's magnetosphere, there are fewer than a dozen dedicated probes beyond low-Earth orbit making in-situ observations at any given time. As a result, we poorly understand its global structure and evolution, the mechanisms of its main activity processes, magnetic storms, and substorms. New Artificial Intelligence (AI) methods, including machine learning, data mining, and data assimilation, as well as new AI-enabled missions will need to be developed to meet this Sparse Data challenge.

Machine learning (ML) models are nowadays used in complex applications in various domains, such as medicine, bioinformatics, and other sciences. Due to their black box nature, however, it may sometimes be hard to understand and trust the results they provide. This has increased the demand for reliable visualization tools related to enhancing trust in ML models, which has become a prominent topic of research in the visualization community over the past decades. To provide an overview and present the frontiers of current research on the topic, we present a State-of-the-Art Report (STAR) on enhancing trust in ML models with the use of interactive visualization. We define and describe the background of the topic, introduce a categorization for visualization techniques that aim to accomplish this goal, and discuss insights and opportunities for future research directions. Among our contributions is a categorization of trust against different facets of interactive ML, expanded and improved from previous research. Our results are investigated from different analytical perspectives: (a) providing a statistical overview, (b) summarizing key findings, (c) performing topic analyses, and (d) exploring the data sets used in the individual papers, all with the support of an interactive web-based survey browser. We intend this survey to be beneficial for visualization researchers whose interests involve making ML models more trustworthy, as well as researchers and practitioners from other disciplines in their search for effective visualization techniques suitable for solving their tasks with confidence and conveying meaning to their data.