当植物天然产物与药物共容纳时，就会发生药代动力学天然产物 - 药物相互作用（NPDIS）。了解NPDI的机制是防止不良事件的关键。我们构建了一个知识图框架NP-KG，作为迈向药代动力学NPDIS的计算发现的一步。 NP-KG是一个具有生物医学本体论，链接数据和科学文献的全文，由表型知识翻译框架和语义关系提取系统，SEMREP和集成网络和动态推理组成的构建的科学文献的全文。通过路径搜索和元路径发现对药代动力学绿茶和kratom-prug相互作用的案例研究评估NP-KG，以确定与地面真实数据相比的一致性和矛盾信息。完全集成的NP-KG由745,512个节点和7,249,576个边缘组成。 NP-KG的评估导致了一致（绿茶的38.98％，kratom的50％），矛盾（绿茶的15.25％，21.43％，Kratom的21.43％），同等和矛盾的（15.25％）（21.43％，21.43％，21.43％ kratom）信息。几种声称的NPDI的潜在药代动力学机制，包括绿茶 - 茶氧化烯，绿茶 - 纳多洛尔，Kratom-Midazolam，Kratom-Quetiapine和Kratom-Venlafaxine相互作用，与已出版的文献一致。 NP-KG是第一个将生物医学本体论与专注于天然产品的科学文献的全文相结合的公斤。我们证明了NP-KG在鉴定涉及酶，转运蛋白和药物的药代动力学相互作用的应用。我们设想NP-KG将有助于改善人机合作，以指导研究人员将来对药代动力学NPDIS进行研究。 NP-KG框架可在https://doi.org/10.5281/zenodo.6814507和https://github.com/sanyabt/np-kg上公开获得。

通用数据模型解决了标准化电子健康记录（EHR）数据的许多挑战，但无法将其集成深度表型所需的资源。开放的生物学和生物医学本体论（OBO）铸造本体论提供了可用于生物学知识的语义计算表示，并能够整合多种生物医学数据。但是，将EHR数据映射到OBO Foundry本体论需要大量的手动策展和域专业知识。我们介绍了一个框架，用于将观察性医学成果合作伙伴关系（OMOP）标准词汇介绍给OBO铸造本体。使用此框架，我们制作了92,367条条件，8,615种药物成分和10,673个测量结果的映射。域专家验证了映射准确性，并且在24家医院进行检查时，映射覆盖了99％的条件和药物成分和68％的测量结果。最后，我们证明OMOP2OBO映射可以帮助系统地识别可能受益于基因检测的未诊断罕见病患者。

Three main points: 1. Data Science (DS) will be increasingly important to heliophysics; 2. Methods of heliophysics science discovery will continually evolve, requiring the use of learning technologies [e.g., machine learning (ML)] that are applied rigorously and that are capable of supporting discovery; and 3. To grow with the pace of data, technology, and workforce changes, heliophysics requires a new approach to the representation of knowledge.

Image classification with small datasets has been an active research area in the recent past. However, as research in this scope is still in its infancy, two key ingredients are missing for ensuring reliable and truthful progress: a systematic and extensive overview of the state of the art, and a common benchmark to allow for objective comparisons between published methods. This article addresses both issues. First, we systematically organize and connect past studies to consolidate a community that is currently fragmented and scattered. Second, we propose a common benchmark that allows for an objective comparison of approaches. It consists of five datasets spanning various domains (e.g., natural images, medical imagery, satellite data) and data types (RGB, grayscale, multispectral). We use this benchmark to re-evaluate the standard cross-entropy baseline and ten existing methods published between 2017 and 2021 at renowned venues. Surprisingly, we find that thorough hyper-parameter tuning on held-out validation data results in a highly competitive baseline and highlights a stunted growth of performance over the years. Indeed, only a single specialized method dating back to 2019 clearly wins our benchmark and outperforms the baseline classifier.

Dataset scaling, also known as normalization, is an essential preprocessing step in a machine learning pipeline. It is aimed at adjusting attributes scales in a way that they all vary within the same range. This transformation is known to improve the performance of classification models, but there are several scaling techniques to choose from, and this choice is not generally done carefully. In this paper, we execute a broad experiment comparing the impact of 5 scaling techniques on the performances of 20 classification algorithms among monolithic and ensemble models, applying them to 82 publicly available datasets with varying imbalance ratios. Results show that the choice of scaling technique matters for classification performance, and the performance difference between the best and the worst scaling technique is relevant and statistically significant in most cases. They also indicate that choosing an inadequate technique can be more detrimental to classification performance than not scaling the data at all. We also show how the performance variation of an ensemble model, considering different scaling techniques, tends to be dictated by that of its base model. Finally, we discuss the relationship between a model's sensitivity to the choice of scaling technique and its performance and provide insights into its applicability on different model deployment scenarios. Full results and source code for the experiments in this paper are available in a GitHub repository.\footnote{https://github.com/amorimlb/scaling\_matters}

The devastation caused by the coronavirus pandemic makes it imperative to design automated techniques for a fast and accurate detection. We propose a novel non-invasive tool, using deep learning and imaging, for delineating COVID-19 infection in lungs. The Ensembling Attention-based Multi-scaled Convolution network (EAMC), employing Leave-One-Patient-Out (LOPO) training, exhibits high sensitivity and precision in outlining infected regions along with assessment of severity. The Attention module combines contextual with local information, at multiple scales, for accurate segmentation. Ensemble learning integrates heterogeneity of decision through different base classifiers. The superiority of EAMC, even with severe class imbalance, is established through comparison with existing state-of-the-art learning models over four publicly-available COVID-19 datasets. The results are suggestive of the relevance of deep learning in providing assistive intelligence to medical practitioners, when they are overburdened with patients as in pandemics. Its clinical significance lies in its unprecedented scope in providing low-cost decision-making for patients lacking specialized healthcare at remote locations.

Objective: Imbalances of the electrolyte concentration levels in the body can lead to catastrophic consequences, but accurate and accessible measurements could improve patient outcomes. While blood tests provide accurate measurements, they are invasive and the laboratory analysis can be slow or inaccessible. In contrast, an electrocardiogram (ECG) is a widely adopted tool which is quick and simple to acquire. However, the problem of estimating continuous electrolyte concentrations directly from ECGs is not well-studied. We therefore investigate if regression methods can be used for accurate ECG-based prediction of electrolyte concentrations. Methods: We explore the use of deep neural networks (DNNs) for this task. We analyze the regression performance across four electrolytes, utilizing a novel dataset containing over 290000 ECGs. For improved understanding, we also study the full spectrum from continuous predictions to binary classification of extreme concentration levels. To enhance clinical usefulness, we finally extend to a probabilistic regression approach and evaluate different uncertainty estimates. Results: We find that the performance varies significantly between different electrolytes, which is clinically justified in the interplay of electrolytes and their manifestation in the ECG. We also compare the regression accuracy with that of traditional machine learning models, demonstrating superior performance of DNNs. Conclusion: Discretization can lead to good classification performance, but does not help solve the original problem of predicting continuous concentration levels. While probabilistic regression demonstrates potential practical usefulness, the uncertainty estimates are not particularly well-calibrated. Significance: Our study is a first step towards accurate and reliable ECG-based prediction of electrolyte concentration levels.

Candidate axiom scoring is the task of assessing the acceptability of a candidate axiom against the evidence provided by known facts or data. The ability to score candidate axioms reliably is required for automated schema or ontology induction, but it can also be valuable for ontology and/or knowledge graph validation. Accurate axiom scoring heuristics are often computationally expensive, which is an issue if you wish to use them in iterative search techniques like level-wise generate-and-test or evolutionary algorithms, which require scoring a large number of candidate axioms. We address the problem of developing a predictive model as a substitute for reasoning that predicts the possibility score of candidate class axioms and is quick enough to be employed in such situations. We use a semantic similarity measure taken from an ontology's subsumption structure for this purpose. We show that the approach provided in this work can accurately learn the possibility scores of candidate OWL class axioms and that it can do so for a variety of OWL class axioms.

The rapid growth of machine translation (MT) systems has necessitated comprehensive studies to meta-evaluate evaluation metrics being used, which enables a better selection of metrics that best reflect MT quality. Unfortunately, most of the research focuses on high-resource languages, mainly English, the observations for which may not always apply to other languages. Indian languages, having over a billion speakers, are linguistically different from English, and to date, there has not been a systematic study of evaluating MT systems from English into Indian languages. In this paper, we fill this gap by creating an MQM dataset consisting of 7000 fine-grained annotations, spanning 5 Indian languages and 7 MT systems, and use it to establish correlations between annotator scores and scores obtained using existing automatic metrics. Our results show that pre-trained metrics, such as COMET, have the highest correlations with annotator scores. Additionally, we find that the metrics do not adequately capture fluency-based errors in Indian languages, and there is a need to develop metrics focused on Indian languages. We hope that our dataset and analysis will help promote further research in this area.

The intersection of ground reaction forces in a small, point-like area above the center of mass has been observed in computer simulation models and human walking experiments. This intersection point is often called a virtual pivot point (VPP). With the VPP observed so ubiquitously, it is commonly assumed to provide postural stability for bipedal walking. In this study, we challenge this assumption by questioning if walking without a VPP is possible. Deriving gaits with a neuromuscular reflex model through multi-stage optimization, we found stable walking patterns that show no signs of the VPP-typical intersection of ground reaction forces. We, therefore, conclude that a VPP is not necessary for upright, stable walking. The non-VPP gaits found are stable and successfully rejected step-down perturbations, which indicates that a VPP is not primarily responsible for locomotion robustness or postural stability. However, a collision-based analysis indicates that non-VPP gaits increased the potential for collisions between the vectors of the center of mass velocity and ground reaction forces during walking, suggesting an increased mechanical cost of transport. Although our computer simulation results have yet to be confirmed through experimental studies, they already strongly challenge the existing explanation of the VPP's function and provide an alternative explanation.