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Generating and Evaluating Explanations of Attended and Error-Inducing Input Regions for VQA Models VQA模型的关注和误差诱导输入区域的生成和评价解释
Pub Date : 2021-03-26 DOI: 10.22541/au.162464902.28050142/v1
Arijit Ray, Michael Cogswell, Xiaoyu Lin, Kamran Alipour, Ajay Divakaran, Yi Yao, Giedrius Burachas
Attention maps, a popular heatmap-based explanation method for VisualQuestion Answering (VQA), are supposed to help users understand themodel by highlighting portions of the image/question used by the modelto infer answers. However, we see that users are often misled by currentattention map visualizations that point to relevant regions despite themodel producing an incorrect answer. Hence, we propose Error Maps thatclarify the error by highlighting image regions where the model is proneto err. Error maps can indicate when a correctly attended region may beprocessed incorrectly leading to an incorrect answer, and hence, improveusers’ understanding of those cases. To evaluate our new explanations,we further introduce a metric that simulates users’ interpretation ofexplanations to evaluate their potential helpfulness to understand modelcorrectness. We finally conduct user studies to see that our newexplanations help users understand model correctness better thanbaselines by an expected 30% and that our proxy helpfulness metricscorrelate strongly (rho>0.97) with how well users canpredict model correctness.
注意力图是一种流行的基于热图的视觉问答(VQA)解释方法,旨在通过突出显示模型用于推断答案的图像/问题的部分来帮助用户理解模型。然而,我们看到,尽管模型产生了错误的答案,但用户经常被当前指向相关区域的注意力地图可视化所误导。因此,我们提出了误差图,通过突出显示模型容易出错的图像区域来澄清误差。错误图可以指示正确参与的区域何时可能被错误处理,从而导致错误答案,从而提高用户对这些情况的理解。为了评估我们的新解释,我们进一步引入了一个指标,模拟用户对解释的解释,以评估他们对理解模型正确性的潜在帮助。最后,我们对用户进行了研究,发现我们的新解释可以帮助用户比基线更好地理解模型的正确性,预期的正确率为30%,并且我们的代理有用性指标与用户预测模型正确性的程度强相关(rho>0.97)。
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引用次数: 1
Hierarchical spline for time series prediction: An application to naval ship engine failure rate 层次样条时间序列预测在舰船发动机故障率中的应用
Pub Date : 2021-03-24 DOI: 10.1002/ail2.22
Hyunji Moon, Jinwoo Choi

Predicting equipment failure is important because it could improve availability and cut down the operating budget. Previous literature has attempted to model failure rate with bathtub-formed function, Weibull distribution, Bayesian network, or analytic hierarchy process. But these models perform well with a sufficient amount of data and could not incorporate the two salient characteristics: imbalanced category and sharing structure. Hierarchical model has the advantage of partial pooling. The proposed model is based on Bayesian hierarchical B-spline. Time series of the failure rate of 99 Republic of Korea Naval ships are modeled hierarchically, where each layer corresponds to ship engine, engine type, and engine archetype. As a result of the analysis, the suggested model predicted the failure rate of an entire lifetime accurately in multiple situational conditions, such as prior knowledge of the engine.

预测设备故障很重要,因为它可以提高可用性并减少运营预算。以前的文献试图用浴缸形函数、威布尔分布、贝叶斯网络或层次分析法来模拟故障率。但这些模型在数据量充足的情况下表现良好,不能兼顾类别不平衡和共享结构这两个显著特征。分层模型具有部分池化的优点。该模型基于贝叶斯分层b样条。对99艘韩国海军舰艇的故障率时间序列进行分层建模,每一层对应舰船发动机、发动机类型和发动机原型。通过分析,建议的模型可以在多种情况下准确预测整个使用寿命的故障率,例如对发动机的先验知识。
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引用次数: 2
Cognitive analysis in sports: Supporting match analysis and scouting through artificial intelligence 体育认知分析:通过人工智能支持比赛分析和球探
Pub Date : 2021-03-14 DOI: 10.1002/ail2.21
Joe Pavitt, Dave Braines, Richard Tomsett

In elite sports, there is an opportunity to take advantage of rich and detailed datasets generated across multiple threads of the sporting business. Challenges currently exist due to time constraints to analyse the data, as well as the quantity and variety of data available to assess. Artificial Intelligence (AI) techniques can be a valuable asset in assisting decision makers in tackling such challenges, but deep AI skills are generally not held by those with rich experience in sporting domains. Here, we describe how certain commonly available AI services can be used to provide analytic assistance to sports experts in exploring, and gaining insights from, typical data sources. In particular, we focus on the use of Natural Language Processing and Conversational Interfaces to provide users with an intuitive and time-saving toolkit to explore their datasets and the conclusions arising from analytics performed on them. We show the benefit of presenting powerful AI and analytic techniques to domain experts, showing the potential for impact not only at the elite level of sports, where AI and analytic capabilities may be more available, but also at a more grass-roots level where there is generally little access to specialist resources. The work described in this paper was trialled with Leatherhead Football Club, a semi-professional team that, at the time, were based in the English 7th tier of football.

在精英运动中,有机会利用体育业务多个线程生成的丰富而详细的数据集。由于分析数据的时间限制以及可供评估的数据的数量和种类,目前存在挑战。人工智能(AI)技术可以成为帮助决策者应对此类挑战的宝贵资产,但在体育领域拥有丰富经验的人通常不具备深厚的人工智能技能。在这里,我们描述了如何使用某些常用的人工智能服务来为体育专家提供分析帮助,以探索并从典型数据源中获得见解。特别是,我们专注于使用自然语言处理和会话接口,为用户提供一个直观和节省时间的工具包,以探索他们的数据集和从分析中得出的结论。我们展示了向领域专家展示强大的人工智能和分析技术的好处,不仅展示了人工智能和分析能力可能更容易获得的精英体育水平的潜在影响,而且还展示了在通常很少获得专业资源的更基层水平的潜在影响。本文中描述的工作在莱瑟黑德足球俱乐部(Leatherhead Football Club)进行了试验,这是一支半职业球队,当时位于英格兰第7级足球联赛。
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引用次数: 4
Towards an affordable magnetomyography instrumentation and low model complexity approach for labour imminency prediction using a novel multiresolution analysis 使用新颖的多分辨率分析,实现负担得起的磁断层成像仪器和低模型复杂性的劳动迫切性预测方法
Pub Date : 2021-02-09 DOI: 10.22541/AU.161289481.19912239/V1
E. Nsugbe, I. Sanusi
The ability to predict the onset of labour is seen to be an importanttool in a clinical setting. Magnetomyography has shown promise in thearea of labour imminency prediction, but its clinical applicationremains limited due to high resource consumption associated with itsbroad number of channels. In this study, five electrode channels, whichaccount for 3.3% of the total, are used alongside a novel signaldecomposition algorithm and low complexity classifiers (logisticregression and linear-SVM) to classify between labour imminency duewithin 0–48hrs and >48hrs. The results suggest that theparsimonious representation comprising of five electrode channels andnovel signal decomposition method alongside the candidate classifierscould allow for greater affordability and hence clinical viability ofthe magnetomyography-based prediction model, which carries a good degreeof model interpretability.
在临床环境中,预测分娩开始的能力被视为一个重要的工具。磁断层成像在临产预测领域显示出前景,但其临床应用仍然有限,因为其通道数量多,资源消耗高。在这项研究中,五个电极通道(占总数的3.3%)与一种新的信号分解算法和低复杂度分类器(逻辑回归和线性支持向量机)一起使用,在0 - 48小时和0 - 48小时内对劳动紧迫性进行分类。结果表明,由五个电极通道和新颖的信号分解方法组成的简约表示以及候选分类器可以允许更高的可负担性,因此基于磁层析成像的预测模型的临床可行性,该模型具有良好的模型可解释性。
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引用次数: 14
Deep Imputation on Large-Scale Drug Discovery Data 大规模药物发现数据的深度归算
Pub Date : 2021-01-20 DOI: 10.22541/AU.161111205.55340339/V2
Benedict W J Irwin, T. Whitehead, Scott Rowland, Samar Y. Mahmoud, G. Conduit, M. Segall
More accurate predictions of the biological properties of chemicalcompounds would guide the selection and design of new compounds in drugdiscovery and help to address the enormous cost and low success-rate ofpharmaceutical R&D. However this domain presents a significantchallenge for AI methods due to the sparsity of compound data and thenoise inherent in results from biological experiments. In this paper, wedemonstrate how data imputation using deep learning provides substantialimprovements over quantitative structure-activity relationship (QSAR)machine learning models that are widely applied in drug discovery. Wepresent the largest-to-date successful application of deep-learningimputation to datasets which are comparable in size to the corporatedata repository of a pharmaceutical company (678,994 compounds by 1166endpoints). We demonstrate this improvement for three areas of practicalapplication linked to distinct use cases; i) target activity datacompiled from a range of drug discovery projects, ii) a high value andheterogeneous dataset covering complex absorption, distribution,metabolism and elimination properties and, iii) high throughputscreening data, testing the algorithm’s limits on early-stage noisy andvery sparse data. Achieving median coefficients of determination,R, of 0.69, 0.36 and 0.43 respectively across theseapplications, the deep learning imputation method offers an unambiguousimprovement over random forest QSAR methods, which achieve medianR values of 0.28, 0.19 and 0.23 respectively. We alsodemonstrate that robust estimates of the uncertainties in the predictedvalues correlate strongly with the accuracies in prediction, enablinggreater confidence in decision-making based on the imputed values.
对化学化合物的生物学性质进行更准确的预测将指导药物发现中新化合物的选择和设计,并有助于解决药物研发的巨大成本和低成功率问题。然而,由于复合数据的稀疏性和生物实验结果固有的噪声,该领域对人工智能方法提出了重大挑战。在本文中,我们展示了使用深度学习的数据插补如何对广泛应用于药物发现的定量构效关系(QSAR)机器学习模型提供实质性改进。我们展示了迄今为止最大规模的深度学习计算在数据集上的成功应用,这些数据集的大小与制药公司的企业数据库相当(678994种化合物,1166个端点)。我们针对与不同用例相关的实践应用程序的三个领域展示了这种改进;i) 从一系列药物发现项目中汇编的靶标活性数据,ii)涵盖复杂吸收、分布、代谢和消除特性的高值异构数据集,以及iii)高通量筛选数据,测试算法对早期噪声和非常稀疏数据的限制。深度学习插补方法在这些应用中分别实现了0.69、0.36和0.43的中值决定系数R,与随机森林QSAR方法相比,该方法提供了一个明显的改进,后者的中值R值分别为0.28、0.19和0.23。我们还证明,对预测值中不确定性的稳健估计与预测的准确性密切相关,从而增强了基于估算值的决策的信心。
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引用次数: 5
Heritage connector: A machine learning framework for building linked open data from museum collections 遗产连接器:一个机器学习框架,用于从博物馆藏品中构建链接的开放数据
Pub Date : 2021-01-06 DOI: 10.22541/au.160994838.81187546/v1
Kalyan Dutia, John Stack
As with almost all data, museum collection catalogues are largelyunstructured, variable in consistency and overwhelmingly composed ofthin records. The form of these catalogues means that the potential fornew forms of research, access and scholarly enquiry that range acrossmultiple collections and related datasets remains dormant. In theproject Heritage Connector: Transforming text into data to extractmeaning and make connections, we are applying a battery of digitaltechniques to connect similar, identical and related items within andacross collections and other publications. In this paper we describe aframework to create a Linked Open Data knowledge graph (KG) from digitalmuseum catalogues, connect entities within this graph to Wikidata, andcreate new connections in this graph from text. We focus on the use ofmachine learning to create these links at scale with a small amount oflabelled data, on a mid-range laptop or a small cloud virtual machine.We publish open-source software providing tools to perform the tasks ofKG creation, entity matching and named entity recognition under theseconstraints.
与几乎所有的数据一样,博物馆藏品目录在很大程度上是非结构化的,一致性多变,而且绝大多数都是由单薄的记录组成的。这些目录的形式意味着跨多个集合和相关数据集的新形式的研究、获取和学术查询的潜力仍然处于休眠状态。在“遗产连接器:将文本转换为数据以提取含义并建立联系”项目中,我们正在应用一系列数字技术来连接馆藏和其他出版物内部和之间的相似、相同和相关项目。在本文中,我们描述了一个框架,用于从数字博物馆目录中创建一个链接开放数据知识图(KG),将该图中的实体连接到维基数据,并从文本中创建该图中的新连接。我们专注于使用机器学习,在中型笔记本电脑或小型云虚拟机上,通过少量标记数据大规模创建这些链接。我们发布了开源软件,提供在这些约束下执行kg创建、实体匹配和命名实体识别任务的工具。
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引用次数: 7
Corpus processing service: A Knowledge Graph platform to perform deep data exploration on corpora 语料库处理服务:对语料库进行深度数据挖掘的知识图谱平台
Pub Date : 2020-12-16 DOI: 10.1002/ail2.20
Peter W. J. Staar, Michele Dolfi, Christoph Auer

Knowledge Graphs have been fast emerging as the de facto standard to model and explore knowledge in weakly structured data. Large corpora of documents constitute a source of weakly structured data of particular interest for both the academic and business world. Key examples include scientific publications, technical reports, manuals, patents, regulations, etc. Such corpora embed many facts that are elementary to critical decision making or enabling new discoveries. In this paper, we present a scalable cloud platform to create and serve Knowledge Graphs, which we named corpus processing service (CPS). Its purpose is to process large document corpora, extract the content and embedded facts, and ultimately represent these in a consistent knowledge graph that can be intuitively queried. To accomplish this, we use state-of-the-art natural language understanding models to extract entities and relationships from documents converted with our previously presented corpus conversion service platform. This pipeline is complemented with a newly developed graph engine which ensures extremely performant graph queries and provides powerful graph analytics capabilities. Both components are tightly integrated and can be easily consumed through REST APIs. Additionally, we provide user interfaces to control the data ingestion flow and formulate queries using a visual programming approach. The CPS platform is designed as a modular microservice system operating on Kubernetes clusters. Finally, we validate the quality of queries on our end-to-end knowledge pipeline in a real-world application in the oil and gas industry.

知识图已经迅速成为在弱结构数据中建模和探索知识的事实上的标准。大型文档语料库构成了弱结构数据的来源,对学术界和商界都特别有意义。主要的例子包括科学出版物、技术报告、手册、专利、法规等。这样的语料库包含了许多对关键决策或新发现至关重要的事实。在本文中,我们提出了一个可扩展的云平台来创建和服务知识图,我们将其命名为语料处理服务(CPS)。它的目的是处理大型文档语料库,提取内容和嵌入的事实,并最终将其表示为可以直观查询的一致知识图。为了实现这一点,我们使用最先进的自然语言理解模型,从使用我们先前提供的语料库转换服务平台转换的文档中提取实体和关系。这个管道与新开发的图形引擎相辅相成,它确保了极其高性能的图形查询,并提供了强大的图形分析功能。这两个组件紧密集成,可以通过REST api轻松使用。此外,我们还提供了用户界面来控制数据摄取流,并使用可视化编程方法制定查询。CPS平台被设计为在Kubernetes集群上运行的模块化微服务系统。最后,我们在油气行业的实际应用中验证了端到端知识管道的查询质量。
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引用次数: 6
Evaluating machine learning models for the fast identification of contingency cases 评估用于快速识别突发事件的机器学习模型
Pub Date : 2020-12-15 DOI: 10.1002/ail2.19
Florian Schäfer, Jan-Hendrik Menke, Martin Braun

Fast approximations of power flow results are beneficial in power system planning and live operation. In planning, millions of power flow calculations are necessary if multiple years, different control strategies, or contingency policies are to be considered. In live operation, grid operators must assess if grid states comply with contingency requirements in a short time. In this paper, we compare regression and classification methods to either predict multivariable results, for example, bus voltage magnitudes and line loadings, or binary classifications of time steps to identify critical loading situations. We test the methods on three realistic power systems based on time series in 15 and 5 minutes resolution of 1 year. We compare different machine learning models, such as multilayer perceptrons (MLPs), decision trees, k-nearest neighbors, gradient boosting, and evaluate the required training time and prediction times as well as the prediction errors. We additionally determine the amount of training data needed for each method and show results, including the approximation of untrained curtailment of generation. Regarding the compared methods, we identified the MLPs as most suitable for the task. The MLP-based models can predict critical situations with an accuracy of 97% to 98% and a very low number of false negative predictions of 0.0% to 0.64%.

潮流结果的快速逼近有助于电力系统规划和实际运行。在规划中,如果要考虑多年、不同的控制策略或应急策略,则需要进行数百万次的潮流计算。在实际运行中,电网运营商必须在短时间内评估电网状态是否符合应急要求。在本文中,我们比较了回归和分类方法来预测多变量结果,例如母线电压值和线路负载,或时间步长的二元分类来识别临界负载情况。我们以15分钟和5分钟分辨率为1年的时间序列在3个实际电力系统上进行了测试。我们比较了不同的机器学习模型,如多层感知器(mlp)、决策树、k近邻、梯度增强,并评估所需的训练时间和预测时间以及预测误差。我们还确定了每种方法所需的训练数据量,并显示了结果,包括未训练的生成缩减的近似值。对于比较的方法,我们确定了最适合任务的mlp。基于mlp的模型可以预测关键情况,准确率为97%至98%,假阴性预测的数量非常低,为0.0%至0.64%。
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引用次数: 0
Practical notes on building molecular graph generative models 构建分子图生成模型的实用笔记
Pub Date : 2020-12-07 DOI: 10.1002/ail2.18
Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, Esben Jannik Bjerrum

Here are presented technical notes and tips on developing graph generative models for molecular design. Although this work stems from the development of GraphINVENT, a Python platform for iterative molecular generation using graph neural networks, this work is relevant to researchers studying other architectures for graph-based molecular design. In this work, technical details that could be of interest to researchers developing their own molecular generative models are discussed, including an overview of previous work in graph-based molecular design and strategies for designing new models. Advice on development and debugging tools which are helpful during code development is also provided. Finally, methods that were tested but which ultimately did not lead to promising results in the development of GraphINVENT are described here in the hope that this will help other researchers avoid pitfalls in development and instead focus their efforts on more promising strategies for graph-based molecular generation.

本文介绍了分子设计中图形生成模型开发的技术要点和技巧。虽然这项工作源于GraphINVENT的开发,GraphINVENT是一个使用图神经网络进行迭代分子生成的Python平台,但这项工作与研究基于图的分子设计的其他架构的研究人员相关。在这项工作中,讨论了可能对开发自己的分子生成模型的研究人员感兴趣的技术细节,包括对基于图的分子设计和设计新模型的策略的先前工作的概述。还提供了在代码开发过程中有用的开发和调试工具的建议。最后,本文描述了在GraphINVENT的开发过程中经过测试但最终没有产生有希望的结果的方法,希望这将帮助其他研究人员避免开发中的陷阱,而是将精力集中在更有希望的基于图的分子生成策略上。
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引用次数: 0
A practical approach for applying Machine Learning in the detection and classification of network devices used in building management 一个实用的方法,应用机器学习在检测和分类的网络设备用于楼宇管理
Pub Date : 2020-12-02 DOI: 10.22541/au.160689781.19054555/v1
Maroun Touma, Shalisha Witherspoon, S. Witherspoon, Isabelle Crawford-Eng
With the increasing deployment of smart buildings and infrastructure,Supervisory Control and Data Acquisition (SCADA) devices and theunderlying IT network have become essential elements for the properoperations of these highly complex systems. Of course, with the increasein automation and the proliferation of SCADA devices, a correspondingincrease in surface area of attack on critical infrastructure hasincreased. Understanding device behaviors in terms of known andunderstood or potentially qualified activities versus unknown andpotentially nefarious activities in near-real time is a key component ofany security solution. In this paper, we investigate the challenges withbuilding robust machine learning models to identify unknowns purely fromnetwork traffic both inside and outside firewalls, starting with missingor inconsistent labels across sites, feature engineering and learning,temporal dependencies and analysis, and training data quality (includingsmall sample sizes) for both shallow and deep learning methods. Todemonstrate these challenges and the capabilities we have developed, wefocus on Building Automation and Control networks (BACnet) from aprivate commercial building system. Our results show that ”Model Zoo”built from binary classifiers based on each device or behavior combinedwith an ensemble classifier integrating information from all classifiersprovides a reliable methodology to identify unknown devices as well asdetermining specific known devices when the device type is in thetraining set. The capability of the Model Zoo framework is shown to bedirectly linked to feature engineering and learning, and the dependencyof the feature selection varies depending on both the binary andensemble classifiers as well.
随着智能建筑和基础设施部署的增加,监控和数据采集(SCADA)设备和底层IT网络已成为这些高度复杂系统正常运行的基本要素。当然,随着自动化程度的提高和SCADA设备的普及,对关键基础设施的攻击面积也相应增加。在接近实时的情况下,根据已知和理解的或潜在的合格活动来理解设备行为,而不是未知和潜在的恶意活动,是任何安全解决方案的关键组成部分。在本文中,我们研究了构建强大的机器学习模型以从防火墙内外的网络流量中识别未知因素的挑战,从跨站点的缺失或不一致的标签,特征工程和学习,时间依赖性和分析,以及浅层和深度学习方法的训练数据质量(包括小样本量)开始。为了展示这些挑战和我们已经开发的能力,我们专注于私人商业建筑系统的楼宇自动化和控制网络(BACnet)。我们的研究结果表明,“模型动物园”由基于每个设备或行为的二元分类器构建,结合集成所有分类器信息的集成分类器,提供了一种可靠的方法来识别未知设备,以及当设备类型在训练集中时确定特定的已知设备。模型动物园框架的能力被证明与特征工程和学习直接相关,并且特征选择的依赖性也取决于二元分类器和集成分类器。
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引用次数: 0
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Applied AI letters
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