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Consider this a WARNing 将此视为警告
IF 6.5 Q2 Decision Sciences Pub Date : 2024-06-01 DOI: 10.1016/j.patter.2024.101009
Sam Freesun Friedman, Shaan Khurshid
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引用次数: 0
The receiver operating characteristic curve accurately assesses imbalanced datasets 接收者操作特征曲线可准确评估不平衡数据集
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-31 DOI: 10.1016/j.patter.2024.100994
Eve Richardson, Raphael Trevizani, Jason A. Greenbaum, Hannah Carter, Morten Nielsen, Bjoern Peters

Many problems in biology require looking for a “needle in a haystack,” corresponding to a binary classification where there are a few positives within a much larger set of negatives, which is referred to as a class imbalance. The receiver operating characteristic (ROC) curve and the associated area under the curve (AUC) have been reported as ill-suited to evaluate prediction performance on imbalanced problems where there is more interest in performance on the positive minority class, while the precision-recall (PR) curve is preferable. We show via simulation and a real case study that this is a misinterpretation of the difference between the ROC and PR spaces, showing that the ROC curve is robust to class imbalance, while the PR curve is highly sensitive to class imbalance. Furthermore, we show that class imbalance cannot be easily disentangled from classifier performance measured via PR-AUC.

生物学中的许多问题都需要 "大海捞针",即在二元分类中,在一组大得多的阴性样本中存在少数阳性样本,这就是所谓的类不平衡。据报道,接收者操作特征曲线(ROC)和相关的曲线下面积(AUC)并不适合评估不平衡问题的预测性能,因为在不平衡问题中,人们更关心的是对少数阳性类的预测性能,而精确度-召回(PR)曲线则更为可取。我们通过模拟和实际案例研究表明,这是对 ROC 和 PR 空间差异的误解,ROC 曲线对类不平衡具有鲁棒性,而 PR 曲线对类不平衡高度敏感。此外,我们还表明,类不平衡与通过 PR-AUC 测量的分类器性能不能轻易区分开来。
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引用次数: 0
MetaGate: Interactive analysis of high-dimensional cytometry data with metadata integration MetaGate:利用元数据集成对高维细胞测量数据进行交互式分析
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-13 DOI: 10.1016/j.patter.2024.100989
Eivind Heggernes Ask, Astrid Tschan-Plessl, Hanna Julie Hoel, Arne Kolstad, Harald Holte, Karl-Johan Malmberg

Flow cytometry is a powerful technology for high-throughput protein quantification at the single-cell level. Technical advances have substantially increased data complexity, but novel bioinformatical tools often show limitations in statistical testing, data sharing, cross-experiment comparability, or clinical data integration. We developed MetaGate as a platform for interactive statistical analysis and visualization of manually gated high-dimensional cytometry data with integration of metadata. MetaGate provides a data reduction algorithm based on a combinatorial gating system that produces a small, portable, and standardized data file. This is subsequently used to produce figures and statistical analyses through a fast web-based user interface. We demonstrate the utility of MetaGate through a comprehensive mass cytometry analysis of peripheral blood immune cells from 28 patients with diffuse large B cell lymphoma along with 17 healthy controls. Through MetaGate analysis, our study identifies key immune cell population changes associated with disease progression.

流式细胞术是一种在单细胞水平上进行高通量蛋白质定量的强大技术。技术的进步大大提高了数据的复杂性,但新型生物信息学工具在统计测试、数据共享、跨实验可比性或临床数据整合方面往往存在局限性。我们开发的 MetaGate 是一个平台,用于对人工选通的高维细胞计量数据进行交互式统计分析和可视化,并整合元数据。MetaGate 提供了一种基于组合门控系统的数据缩减算法,可生成小巧、便携和标准化的数据文件。随后,通过一个基于网络的快速用户界面,就能生成图表并进行统计分析。我们通过对 28 名弥漫大 B 细胞淋巴瘤患者和 17 名健康对照者的外周血免疫细胞进行全面的质谱分析,证明了 MetaGate 的实用性。通过 MetaGate 分析,我们的研究确定了与疾病进展相关的关键免疫细胞群变化。
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引用次数: 0
Federated learning for privacy-preserving depression detection with multilingual language models in social media posts 利用社交媒体帖子中的多语言语言模型,为保护隐私的抑郁检测提供联合学习
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-13 DOI: 10.1016/j.patter.2024.100990
Samar Samir Khalil, Noha S. Tawfik, Marco Spruit

The incidences of mental health illnesses, such as suicidal ideation and depression, are increasing, which highlights the urgent need for early detection methods. There is a growing interest in using natural language processing (NLP) models to analyze textual data from patients, but accessing patients’ data for research purposes can be challenging due to privacy concerns. Federated learning (FL) is a promising approach that can balance the need for centralized learning with data ownership sensitivity. In this study, we examine the effectiveness of FL models in detecting depression by using a simulated multilingual dataset. We analyzed social media posts in five different languages with varying sample sizes. Our findings indicate that FL achieves strong performance in most cases while maintaining clients’ privacy for both independent and non-independent client partitioning.

自杀意念和抑郁症等精神疾病的发病率不断上升,这凸显了对早期检测方法的迫切需求。人们对使用自然语言处理(NLP)模型分析患者文本数据的兴趣与日俱增,但由于隐私问题,为研究目的访问患者数据可能具有挑战性。联合学习(FL)是一种很有前景的方法,它能在集中学习需求与数据所有权敏感性之间取得平衡。在本研究中,我们使用一个模拟的多语言数据集来检验 FL 模型在检测抑郁症方面的有效性。我们分析了五种不同语言的社交媒体帖子,样本量各不相同。我们的研究结果表明,在大多数情况下,FL 都能取得很好的性能,同时在独立和非独立客户分区中都能维护客户的隐私。
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引用次数: 0
Navigating color integrity in data visualization 数据可视化中的色彩完整性导航
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-10 DOI: 10.1016/j.patter.2024.100972
Fabio Crameri, Sari Hason

Color is crucial in scientific visualization, yet it is often misused. Addressing this, we think accessible and accurate techniques, such as color-blind friendly palettes and perceptually even gradients, are vital. Accountability and basic knowledge in data visualization are key in fostering a culture of color integrity, ensuring accurate and inclusive data representation.

色彩在科学可视化中至关重要,但却经常被滥用。针对这一问题,我们认为使用方便、准确的技术至关重要,例如色盲友好调色板和感知均匀的梯度。数据可视化方面的责任感和基础知识是培养色彩完整性文化的关键,可确保准确、包容的数据表示。
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引用次数: 0
AI deception: A survey of examples, risks, and potential solutions 人工智能欺骗:实例、风险和潜在解决方案调查
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-10 DOI: 10.1016/j.patter.2024.100988
Peter S. Park, Simon Goldstein, Aidan O’Gara, Michael Chen, Dan Hendrycks

This paper argues that a range of current AI systems have learned how to deceive humans. We define deception as the systematic inducement of false beliefs in the pursuit of some outcome other than the truth. We first survey empirical examples of AI deception, discussing both special-use AI systems (including Meta’s CICERO) and general-purpose AI systems (including large language models). Next, we detail several risks from AI deception, such as fraud, election tampering, and losing control of AI. Finally, we outline several potential solutions: first, regulatory frameworks should subject AI systems that are capable of deception to robust risk-assessment requirements; second, policymakers should implement bot-or-not laws; and finally, policymakers should prioritize the funding of relevant research, including tools to detect AI deception and to make AI systems less deceptive. Policymakers, researchers, and the broader public should work proactively to prevent AI deception from destabilizing the shared foundations of our society.

本文认为,当前一系列人工智能系统已经学会了如何欺骗人类。我们将欺骗定义为系统性地诱导错误信念,以追求某种非真相的结果。我们首先调查了人工智能欺骗的实证案例,讨论了特殊用途人工智能系统(包括 Meta 的 CICERO)和通用人工智能系统(包括大型语言模型)。接下来,我们详细介绍了人工智能欺骗的几种风险,如欺诈、篡改选举和失去对人工智能的控制。最后,我们概述了几种潜在的解决方案:首先,监管框架应该对能够进行欺骗的人工智能系统提出严格的风险评估要求;其次,政策制定者应该实施 "要么机器人,要么不机器人 "的法律;最后,政策制定者应该优先资助相关研究,包括检测人工智能欺骗行为和减少人工智能系统欺骗性的工具。政策制定者、研究人员和广大公众应积极努力,防止人工智能欺骗行为破坏我们社会的共同基础。
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引用次数: 0
Reducing overconfident errors in molecular property classification using Posterior Network 利用后验网络减少分子特性分类中的过度自信误差
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-08 DOI: 10.1016/j.patter.2024.100991
Zhehuan Fan, Jie Yu, Xiang Zhang, Yijie Chen, Shihui Sun, Yuanyuan Zhang, Mingan Chen, Fu Xiao, Wenyong Wu, Xutong Li, Mingyue Zheng, Xiaomin Luo, Dingyan Wang

Deep-learning-based classification models are increasingly used for predicting molecular properties in drug development. However, traditional classification models using the Softmax function often give overconfident mispredictions for out-of-distribution samples, highlighting a critical lack of accurate uncertainty estimation. Such limitations can result in substantial costs and should be avoided during drug development. Inspired by advances in evidential deep learning and Posterior Network, we replaced the Softmax function with a normalizing flow to enhance the uncertainty estimation ability of the model in molecular property classification. The proposed strategy was evaluated across diverse scenarios, including simulated experiments based on a synthetic dataset, ADMET predictions, and ligand-based virtual screening. The results demonstrate that compared with the vanilla model, the proposed strategy effectively alleviates the problem of giving overconfident but incorrect predictions. Our findings support the promising application of evidential deep learning in drug development and offer a valuable framework for further research.

基于深度学习的分类模型越来越多地用于预测药物开发中的分子特性。然而,使用 Softmax 函数的传统分类模型往往会对分布外样本做出过于自信的错误预测,这凸显了准确不确定性估计的严重不足。这种局限性会导致巨大的成本,在药物开发过程中应该避免。受证据深度学习和后验网络的启发,我们用归一化流取代了 Softmax 函数,以增强模型在分子性质分类中的不确定性估计能力。我们在不同的场景中评估了所提出的策略,包括基于合成数据集的模拟实验、ADMET 预测和基于配体的虚拟筛选。结果表明,与 vanilla 模型相比,所提出的策略有效地缓解了预测过于自信但不正确的问题。我们的研究结果支持了证据深度学习在药物开发中的应用前景,并为进一步研究提供了有价值的框架。
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引用次数: 0
Active sensing with predictive coding and uncertainty minimization 带有预测编码和不确定性最小化功能的主动传感
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-03 DOI: 10.1016/j.patter.2024.100983
Abdelrahman Sharafeldin, Nabil Imam, Hannah Choi

We present an end-to-end architecture for embodied exploration inspired by two biological computations: predictive coding and uncertainty minimization. The architecture can be applied to any exploration setting in a task-independent and intrinsically driven manner. We first demonstrate our approach in a maze navigation task and show that it can discover the underlying transition distributions and spatial features of the environment. Second, we apply our model to a more complex active vision task, whereby an agent actively samples its visual environment to gather information. We show that our model builds unsupervised representations through exploration that allow it to efficiently categorize visual scenes. We further show that using these representations for downstream classification leads to superior data efficiency and learning speed compared to other baselines while maintaining lower parameter complexity. Finally, the modular structure of our model facilitates interpretability, allowing us to probe its internal mechanisms and representations during exploration.

我们提出了一种端到端架构,用于体现式探索,其灵感来自两种生物计算:预测编码和不确定性最小化。该架构可以独立于任务和内在驱动的方式应用于任何探索环境。我们首先在迷宫导航任务中演示了我们的方法,并证明它能发现环境的潜在过渡分布和空间特征。其次,我们将模型应用于更复杂的主动视觉任务,即代理主动采样其视觉环境以收集信息。我们的研究表明,我们的模型通过探索建立了无监督表征,使其能够有效地对视觉场景进行分类。我们进一步证明,与其他基线相比,使用这些表征进行下游分类能带来更高的数据效率和学习速度,同时保持较低的参数复杂度。最后,我们模型的模块化结构有利于解释性,使我们能够在探索过程中探究其内部机制和表征。
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引用次数: 0
Cortical similarities in psychiatric and mood disorders identified in federated VBM analysis via COINSTAC 通过 COINSTAC 联合 VBM 分析发现精神病和情绪障碍的皮质相似性
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-02 DOI: 10.1016/j.patter.2024.100987
Kelly Rootes-Murdy, Sandeep Panta, Ross Kelly, Javier Romero, Yann Quidé, Murray J. Cairns, Carmel Loughland, Vaughan J. Carr, Stanley V. Catts, Assen Jablensky, Melissa J. Green, Frans Henskens, Dylan Kiltschewskij, Patricia T. Michie, Bryan Mowry, Christos Pantelis, Paul E. Rasser, William R. Reay, Ulrich Schall, Rodney J. Scott, Vince D. Calhoun

Structural neuroimaging studies have identified a combination of shared and disorder-specific patterns of gray matter (GM) deficits across psychiatric disorders. Pooling large data allows for examination of a possible common neuroanatomical basis that may identify a certain vulnerability for mental illness. Large-scale collaborative research is already facilitated by data repositories, institutionally supported databases, and data archives. However, these data-sharing methodologies can suffer from significant barriers. Federated approaches augment these approaches by enabling access or more sophisticated, shareable and scaled-up analyses of large-scale data. We examined GM alterations using Collaborative Informatics and Neuroimaging Suite Toolkit for Anonymous Computation, an open-source, decentralized analysis application. Through federated analysis of eight sites, we identified significant overlap in the GM patterns (n = 4,102) of individuals with schizophrenia, major depressive disorder, and autism spectrum disorder. These results show cortical and subcortical regions that may indicate a shared vulnerability to psychiatric disorders.

结构神经影像学研究发现,精神疾病的灰质(GM)缺陷既有共同的模式,也有特定疾病的模式。将大量数据汇集在一起,可以对可能存在的共同神经解剖学基础进行研究,从而确定精神疾病的某种易感性。数据存储库、机构支持的数据库和数据档案已经为大规模合作研究提供了便利。然而,这些数据共享方法可能存在重大障碍。联盟式方法可以对大规模数据进行访问或更复杂、可共享和可扩展的分析,从而增强了这些方法。我们使用匿名计算的协作信息学和神经成像套件工具包(一种开源、分散的分析应用程序)研究了基因改变。通过对八个站点的联合分析,我们发现精神分裂症、重度抑郁障碍和自闭症谱系障碍患者的基因组模式(n = 4,102 个)存在显著重叠。这些结果表明,皮层和皮层下区域可能预示着精神疾病的共同易感性。
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引用次数: 0
MUSTANG: Multi-sample spatial transcriptomics data analysis with cross-sample transcriptional similarity guidance MUSTANG:利用跨样本转录相似性指导进行多样本空间转录组学数据分析
IF 6.5 Q2 Decision Sciences Pub Date : 2024-05-02 DOI: 10.1016/j.patter.2024.100986
Seyednami Niyakan, Jianting Sheng, Yuliang Cao, Xiang Zhang, Zhan Xu, Ling Wu, Stephen T.C. Wong, Xiaoning Qian

Spatially resolved transcriptomics has revolutionized genome-scale transcriptomic profiling by providing high-resolution characterization of transcriptional patterns. Here, we present our spatial transcriptomics analysis framework, MUSTANG (MUlti-sample Spatial Transcriptomics data ANalysis with cross-sample transcriptional similarity Guidance), which is capable of performing multi-sample spatial transcriptomics spot cellular deconvolution by allowing both cross-sample expression-based similarity information sharing as well as spatial correlation in gene expression patterns within samples. Experiments on a semi-synthetic spatial transcriptomics dataset and three real-world spatial transcriptomics datasets demonstrate the effectiveness of MUSTANG in revealing biological insights inherent in the cellular characterization of tissue samples under study.

空间解析转录组学通过提供高分辨率的转录模式表征,彻底改变了基因组规模的转录组学分析。在这里,我们介绍了我们的空间转录组学分析框架 MUSTANG(MUlti-sample Spatial Transcriptomics data ANalysis with cross-sample transcriptional similarity Guidance),它能够通过基于表达的跨样本相似性信息共享以及样本内基因表达模式的空间相关性来执行多样本空间转录组学定点细胞解卷积。在一个半合成空间转录组学数据集和三个真实世界空间转录组学数据集上的实验证明了 MUSTANG 在揭示所研究组织样本细胞特征内在的生物学见解方面的有效性。
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引用次数: 0
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Patterns
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