资源说明框架（RDF）和属性图（PG）是表示，存储和查询图数据的两个最常用的数据模型。我们提出了表达推理图存储（ERGS） - 构建在Janusgraph（属性图存储）顶部的图存储，该图还允许存储和查询RDF数据集。首先，我们描述了如何将RDF数据转换为属性图表示，然后描述将SPARQL查询转换为一系列Gremlin遍历的查询翻译模块。因此，开发的转换器和翻译器可以允许任何Apache TinkerPop符合图形数据库存储和查询RDF数据集。我们证明了使用JanusGraph作为基本属性图存储的建议方法的有效性，并将其性能与标准RDF系统进行比较。

The availability of frequent and cost-free satellite images is in growing demand in the research world. Such satellite constellations as Landsat 8 and Sentinel-2 provide a massive amount of valuable data daily. However, the discrepancy in the sensors' characteristics of these satellites makes it senseless to use a segmentation model trained on either dataset and applied to another, which is why domain adaptation techniques have recently become an active research area in remote sensing. In this paper, an experiment of domain adaptation through style-transferring is conducted using the HRSemI2I model to narrow the sensor discrepancy between Landsat 8 and Sentinel-2. This paper's main contribution is analyzing the expediency of that approach by comparing the results of segmentation using domain-adapted images with those without adaptation. The HRSemI2I model, adjusted to work with 6-band imagery, shows significant intersection-over-union performance improvement for both mean and per class metrics. A second contribution is providing different schemes of generalization between two label schemes - NALCMS 2015 and CORINE. The first scheme is standardization through higher-level land cover classes, and the second is through harmonization validation in the field.

Text detection in natural scenes has been a significant and active research subject in computer vision and document analysis because of its wide range of applications as evidenced by the emergence of the Robust Reading Competition. One of the algorithms which has good text detection performance in the said competition is the Character Region Awareness for Text Detection (CRAFT). Employing the ICDAR 2013 dataset, this study investigates the impact of automatic image classification and blind deconvolution as image pre-processing steps to further enhance the text detection performance of CRAFT. The proposed technique automatically classifies the scene images into two categories, blurry and non-blurry, by utilizing of a Laplacian operator with 100 as threshold. Prior to applying the CRAFT algorithm, images that are categorized as blurry are further pre-processed using blind deconvolution to reduce the blur. The results revealed that the proposed method significantly enhanced the detection performance of CRAFT, as demonstrated by its IoU h-mean of 94.47% compared to the original 91.42% h-mean of CRAFT and this even outperformed the top-ranked SenseTime, whose h-mean is 93.62%.

Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the large volume of XRD samples from high-throughput XRD experiments, it has become impossible for domain scientists to process them manually. Recently, they have started leveraging standard clustering techniques, to reduce the XRD pattern representations requiring manual efforts for labeling and verification. Nevertheless, these standard clustering techniques do not handle problem-specific aspects such as peak shifting, adjacent peaks, background noise, and mixed phases; hence, resulting in incorrect composition-phase diagrams that complicate further steps. Here, we leverage data mining techniques along with domain expertise to handle these issues. In this paper, we introduce an incremental phase mapping approach based on binary peak representations using a new threshold based fuzzy dissimilarity measure. The proposed approach first applies an incremental phase computation algorithm on discrete binary peak representation of XRD samples, followed by hierarchical clustering or manual merging of similar pure phases to obtain the final composition-phase diagram. We evaluate our method on the composition space of two ternary alloy systems- Co-Ni-Ta and Co-Ti-Ta. Our results are verified by domain scientists and closely resembles the manually computed ground-truth composition-phase diagrams. The proposed approach takes us closer towards achieving the goal of complete end-to-end automated XRD analysis.

Molecular shape and geometry dictate key biophysical recognition processes, yet many graph neural networks disregard 3D information for molecular property prediction. Here, we propose a new contrastive-learning procedure for graph neural networks, Molecular Contrastive Learning from Shape Similarity (MolCLaSS), that implicitly learns a three-dimensional representation. Rather than directly encoding or targeting three-dimensional poses, MolCLaSS matches a similarity objective based on Gaussian overlays to learn a meaningful representation of molecular shape. We demonstrate how this framework naturally captures key aspects of three-dimensionality that two-dimensional representations cannot and provides an inductive framework for scaffold hopping.

Covid-19在大流行的不同阶段对公众构成了不成比例的心理健康后果。我们使用一种计算方法来捕获引发在线社区对大流行的焦虑的特定方面，并研究这些方面如何随时间变化。首先，我们使用主题分析在R/covid19 \ _support的Reddit帖子样本（$ n $ = 86）中确定了九个焦虑（SOA）。然后，我们通过在手动注释的样本（$ n $ = 793）上训练Reddit用户的焦虑来自动将SOA标记在较大的年代样本中（$ n $ = 6,535）。 9个SOA与最近开发的大流行焦虑测量量表中的项目保持一致。我们观察到，在大流行的前八个月，Reddit用户对健康风险的担忧仍然很高。尽管案件激增稍后发生，但这些担忧却大大减少了。通常，随着大流行的进展，用户的语言披露了SOA的强烈强度。但是，在本研究涵盖的整个期间，人们对心理健康的担忧和未来稳步增长。人们还倾向于使用更强烈的语言来描述心理健康问题，而不是健康风险或死亡问题。我们的结果表明，尽管Covid-19逐渐削弱，但由于适当的对策而逐渐削弱了作为健康威胁，但该在线小组的心理健康状况并不一定会改善。我们的系统为人口健康和流行病学学者奠定了基础，以及时检查引起大流行焦虑的方面。

开发有效的自动分类器将真实来源与工件分开，对于宽场光学调查的瞬时随访至关重要。在图像差异过程之后，从减法伪像的瞬态检测鉴定是此类分类器的关键步骤，称为真实 - 博格斯分类问题。我们将自我监督的机器学习模型，深入的自组织地图（DESOM）应用于这个“真实的模拟”分类问题。 DESOM结合了自动编码器和一个自组织图以执行聚类，以根据其维度降低的表示形式来区分真实和虚假的检测。我们使用32x32归一化检测缩略图作为底部的输入。我们展示了不同的模型训练方法，并发现我们的最佳DESOM分类器显示出6.6％的检测率，假阳性率为1.5％。 Desom提供了一种更细微的方法来微调决策边界，以确定与其他类型的分类器（例如在神经网络或决策树上构建的）结合使用时可能进行的实际检测。我们还讨论了DESOM及其局限性的其他潜在用法。

味道是遵循社会趋势和行为的风味行业的焦点。新调味剂和分子的研究和开发在该领域至关重要。另一方面，自然风味的发展在现代社会中起着至关重要的作用。鉴于此，目前的工作提出了一个基于科学机器学习的新颖框架，以在风味工程和行业中解决新的问题。因此，这项工作带来了一种创新的方法来设计新的自然风味分子。评估了有关合成可及性，原子数以及与天然或伪天然产物的相似性的分子。

ICECUBE是一种用于检测1 GEV和1 PEV之间大气和天体中微子的光学传感器的立方公斤阵列，该阵列已部署1.45 km至2.45 km的南极的冰盖表面以下1.45 km至2.45 km。来自ICE探测器的事件的分类和重建在ICeCube数据分析中起着核心作用。重建和分类事件是一个挑战，这是由于探测器的几何形状，不均匀的散射和冰中光的吸收，并且低于100 GEV的光，每个事件产生的信号光子数量相对较少。为了应对这一挑战，可以将ICECUBE事件表示为点云图形，并将图形神经网络（GNN）作为分类和重建方法。 GNN能够将中微子事件与宇宙射线背景区分开，对不同的中微子事件类型进行分类，并重建沉积的能量，方向和相互作用顶点。基于仿真，我们提供了1-100 GEV能量范围的比较与当前ICECUBE分析中使用的当前最新最大似然技术，包括已知系统不确定性的影响。对于中微子事件分类，与当前的IceCube方法相比，GNN以固定的假阳性速率（FPR）提高了信号效率的18％。另外，GNN在固定信号效率下将FPR的降低超过8（低于半百分比）。对于能源，方向和相互作用顶点的重建，与当前最大似然技术相比，分辨率平均提高了13％-20％。当在GPU上运行时，GNN能够以几乎是2.7 kHz的中位数ICECUBE触发速率的速率处理ICECUBE事件，这打开了在在线搜索瞬态事件中使用低能量中微子的可能性。

光学相干断层扫描（OCT）是一种非侵入性技术，可在微米分辨率中捕获视网膜的横截面区域。它已被广泛用作辅助成像参考，以检测与眼睛有关的病理学并预测疾病特征的纵向进展。视网膜层分割是至关重要的特征提取技术之一，其中视网膜层厚度的变化和由于液体的存在而引起的视网膜层变形高度相关，与多种流行性眼部疾病（如糖尿病性视网膜病）和年龄相关的黄斑疾病高度相关。变性（AMD）。但是，这些图像是从具有不同强度分布或换句话说的不同设备中获取的，属于不同的成像域。本文提出了一种分割引导的域适应方法，以将来自多个设备的图像调整为单个图像域，其中可用的最先进的预训练模型可用。它避免了即将推出的新数据集的手动标签的时间消耗以及现有网络的重新培训。网络的语义一致性和全球特征一致性将最大程度地减少许多研究人员报告的幻觉效果，这些效应对周期矛盾的生成对抗网络（Cyclegan）体系结构。