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A novel quantum algorithm for efficient attractor search in gene regulatory networks. 基因调控网络中有效吸引子搜索的量子算法。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-07-03 eCollection Date: 2025-09-12 DOI: 10.1016/j.patter.2025.101295
Mirko Rossini, Felix M Weidner, Joachim Ankerhold, Hans A Kestler

Describing gene interactions in cells is challenging due to their complexity and the limited microscopic detail available. Boolean networks offer a powerful, coarse-grained approach to modeling these dynamics using binary agents and their interactions. In this context, attractors-stable states of the system-are associated with biological phenotypes, making their identification biologically important. However, traditional computing struggles with the exponential growth of the state space in such models. Here, we present a novel quantum search algorithm for identifying attractors in synchronous Boolean networks, specifically designed for use on quantum computers. The algorithm iteratively suppresses known attractor basins, increasing the probability of detecting new ones. Unlike classical methods, it guarantees the discovery of a new attractor in each run. Early tests demonstrate strong resilience to noise on current NISQ (noisy intermediate-scale quantum) devices, marking a promising advance toward practical quantum-enhanced biological modeling.

描述细胞中的基因相互作用是具有挑战性的,因为它们的复杂性和有限的微观细节。布尔网络提供了一种强大的粗粒度方法,可以使用二进制代理及其交互对这些动态建模。在这种情况下,吸引子——系统的稳定状态——与生物表型有关,这使得它们的识别在生物学上很重要。然而,在这种模型中,传统计算与状态空间的指数增长作斗争。在这里,我们提出了一种新的量子搜索算法,用于识别同步布尔网络中的吸引子,该算法专门设计用于量子计算机。该算法迭代地抑制已知的吸引子盆地,增加了发现新吸引子盆地的概率。与经典方法不同的是,它保证在每次运行中发现一个新的吸引子。早期测试表明,当前NISQ(有噪声的中等规模量子)设备具有很强的抗噪声能力,这标志着在实用量子增强生物建模方面取得了有希望的进展。
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引用次数: 0
UltraLight VM-UNet: Parallel Vision Mamba significantly reduces parameters for skin lesion segmentation. UltraLight VM-UNet:平行视觉曼巴显着减少了皮肤病变分割的参数。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-26 eCollection Date: 2025-11-14 DOI: 10.1016/j.patter.2025.101298
Renkai Wu, Yinghao Liu, Guochen Ning, Pengchen Liang, Qing Chang

Traditionally, to improve the segmentation performance of models, most approaches prefer to use more complex modules. This is not suitable for the medical field, especially for mobile medical devices, where computationally loaded models are not suitable for real clinical environments due to computational resource constraints. Recently, state-space models, represented by Mamba, have become a strong competitor to traditional convolutional neural networks and transformers. In this paper, we deeply explore the key elements of parameter influence in Mamba and propose an UltraLight Vision Mamba UNet (UltraLight VM-UNet) based on this. Specifically, we propose a method for processing features in parallel Vision Mamba, named the PVM Layer, which achieves competitive performance with the lowest computational complexity while keeping the overall number of processing channels constant. We conducted segmentation experiments on three public datasets of skin lesions and showed that UltraLight VM-UNet exhibits competitive performance with only 0.049M parameters and 0.060 GFLOPs.

传统上,为了提高模型的分割性能,大多数方法倾向于使用更复杂的模块。这不适用于医疗领域,特别是移动医疗设备,由于计算资源的限制,计算负载的模型不适合真实的临床环境。近年来,以Mamba为代表的状态空间模型已经成为传统卷积神经网络和变压器的有力竞争对手。本文深入探讨了曼巴参数影响的关键因素,并在此基础上提出了一种超光视觉曼巴UNet (UltraLight VM-UNet)。具体来说,我们提出了一种在并行视觉曼巴中处理特征的方法,称为PVM层,该方法在保持处理通道总数不变的情况下,以最低的计算复杂度获得了具有竞争力的性能。我们对三个公开的皮肤病变数据集进行了分割实验,结果表明,UltraLight VM-UNet仅以0.049M参数和0.060 GFLOPs表现出竞争力。
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引用次数: 0
Data-driven discovery of medication effects on blood glucose from electronic health records. 从电子健康记录中发现药物对血糖的影响。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-26 eCollection Date: 2025-11-14 DOI: 10.1016/j.patter.2025.101312
Amanda Momenzadeh, Caleb Cranney, So Yung Choi, Catherine Bresee, Mourad Tighiouart, Roma Gianchandani, Joshua Pevnick, Jason H Moore, Jesse G Meyer

Blood glucose (BG) in hospitalized patients is influenced by numerous clinical factors, including medications not traditionally associated with glycemic control. To better characterize these effects, we analyzed electronic health record data from 97,281 inpatient encounters (2014-2022), capturing 3,009,686 point-of-care BG measurements. We extracted over 300 variables-medications, labs, and socio-demographics-and used Lasso, ridge, and elastic net regression for predictive modeling, alongside propensity score matching (PSM) for causal inference. While Lasso reduced multicollinearity, it often assigned implausible coefficient directions. In contrast, PSM yielded clinically consistent and interpretable estimates, identifying 55 variables significantly associated with BG changes, without shrinking coefficients to zero of known BG-modulating drugs. Findings were validated in a 2022-2024 test set of 27,847 encounters. This work highlights the value of causal inference in observational EHR analysis and identifies both established and under-recognized (e.g., cholecalciferol) medication effects on BG, offering insights that inform safer inpatient glycemic management.

住院患者的血糖(BG)受到许多临床因素的影响,包括传统上与血糖控制无关的药物。为了更好地描述这些影响,我们分析了97,281例住院患者(2014-2022年)的电子健康记录数据,捕获了3,009,686个护理点BG测量值。我们提取了300多个变量——药物、实验室和社会人口统计数据——并使用Lasso、ridge和弹性网络回归进行预测建模,同时使用倾向评分匹配(PSM)进行因果推理。虽然Lasso减少了多重共线性,但它经常分配不合理的系数方向。相比之下,PSM产生了临床一致且可解释的估计,确定了与BG变化显著相关的55个变量,而已知的BG调节药物的系数没有缩小到零。研究结果在2022-2024年的27,847次测试中得到了验证。这项工作强调了观察性电子病历分析中因果推理的价值,并确定了已建立的和未被认可的(例如,胆钙化醇)药物对BG的影响,为更安全的住院患者血糖管理提供了见解。
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引用次数: 0
A view of the sustainable computing landscape. 对可持续计算前景的看法。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-25 eCollection Date: 2025-07-11 DOI: 10.1016/j.patter.2025.101296
Benjamin C Lee, David Brooks, Arthur van Benthem, Mariam Elgamal, Udit Gupta, Gage Hills, Vincent Liu, Linh Thi Xuan Phan, Benjamin Pierce, Christopher Stewart, Emma Strubell, Gu-Yeon Wei, Adam Wierman, Yuan Yao, Minlan Yu

This article presents a holistic research agenda to address the significant environmental impact of information and communication technology (ICT), which accounts for 2.1%-3.9% of global greenhouse gas emissions. It proposes several research thrusts to achieve sustainable computing: accurate carbon accounting models, life cycle design strategies for hardware, efficient use of renewable energy, and integrated design and management strategies for next-generation hardware and software systems. If successful, the research would flatten and reverse growth trajectories for computing power and carbon, especially for rapidly growing applications like artificial intelligence. The research takes a holistic approach because strategies that reduce operational carbon may increase embodied carbon, and vice versa. Achieving these goals will require interdisciplinary collaboration between computer scientists, electrical engineers, environmental scientists, and economists.

本文提出了一个全面的研究议程,以解决信息和通信技术(ICT)对环境的重大影响,这占全球温室气体排放量的2.1%-3.9%。它提出了实现可持续计算的几个研究重点:准确的碳核算模型,硬件的生命周期设计策略,可再生能源的有效利用,以及下一代硬件和软件系统的集成设计和管理策略。如果成功,这项研究将使计算能力和碳的增长轨迹趋于平缓甚至逆转,尤其是在人工智能等快速增长的应用领域。这项研究采用了一种整体的方法,因为减少操作碳的策略可能会增加隐含碳,反之亦然。实现这些目标需要计算机科学家、电气工程师、环境科学家和经济学家之间的跨学科合作。
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引用次数: 0
cytoGPNet: Enhancing clinical outcome prediction accuracy using longitudinal cytometry data in small cohort studies. cytoGPNet:在小队列研究中使用纵向细胞术数据提高临床预后预测的准确性。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-25 eCollection Date: 2025-09-12 DOI: 10.1016/j.patter.2025.101297
Jingxuan Zhang, Liwen Sun, Neal E Ready, Wenbo Guo, Lin Lin

Cytometry data, including flow and mass cytometry, are widely used in immunological studies such as cancer immunotherapy and vaccine trials. These data provide rich insights into immune cell dynamics and their relationship to clinical outcomes. However, traditional analyses based on summary statistics may overlook critical single-cell information. To address this, we introduce cytoGPNet, a novel method for predicting individual-level outcomes from cytometry data. cytoGPNet addresses four key challenges: (1) accommodating varying numbers of cells per sample, (2) analyzing longitudinal cytometry data to capture temporal patterns, (3) maintaining robustness despite limited sample sizes, and (4) ensuring interpretability for biomarker discovery. We apply cytoGPNet across multiple immunological studies with diverse designs and show that it consistently outperforms existing methods in predictive accuracy. Importantly, cytoGPNet also offers interpretable insights at multiple levels, enhancing our understanding of immune responses. These results highlight cytoGPNet's potential to advance cytometry-based analysis in immunological research.

细胞术数据,包括流式细胞术和质量细胞术,广泛应用于免疫学研究,如癌症免疫治疗和疫苗试验。这些数据为免疫细胞动力学及其与临床结果的关系提供了丰富的见解。然而,基于汇总统计的传统分析可能会忽略关键的单细胞信息。为了解决这个问题,我们引入了cytoGPNet,这是一种从细胞计数数据预测个体水平结果的新方法。cytoGPNet解决了四个关键挑战:(1)适应每个样本不同数量的细胞;(2)分析纵向细胞术数据以捕获时间模式;(3)在样本量有限的情况下保持稳健性;(4)确保生物标志物发现的可解释性。我们将cytoGPNet应用于多种不同设计的免疫学研究,并表明它在预测准确性方面始终优于现有方法。重要的是,cytoGPNet还在多个层面上提供了可解释的见解,增强了我们对免疫反应的理解。这些结果突出了cytoGPNet在免疫学研究中推进细胞计数分析的潜力。
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引用次数: 0
S2S: A deep learning method for the radiological diagnosis of fine-grained diseases spanning screening to subtyping. S2S:一种跨越筛查到分型的细粒度疾病放射诊断的深度学习方法。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-17 eCollection Date: 2025-10-10 DOI: 10.1016/j.patter.2025.101294
Ruijie Tang, Yuchen Guo, Hengrui Liang, Jianxing He, Yuerong Lizhu, Yaou Liu, Feng Xu

Radiographic images play a critical role in disease diagnosis, but accurately interpreting them requires considerable expertise and workload. Recent research has advanced artificial intelligence-based medical image analysis, but such advancements remain limited in real clinical practice where multistage diagnosis is required for fine-grained diseases. This study proposes a screening-to-subtyping (S2S) AI paradigm specifically designed for accurate radiological diagnosis of fine-grained diseases, encompassing the entire diagnostic process from initial screening to final subtyping. The S2S framework integrates information from multiple diagnostic phases, radiological viewpoints, lesion dimensions, and imaging modalities to address complex diagnostic challenges. Evaluation using a large-scale, multi-center radiography dataset of fine-grained thoracic cancer subtypes demonstrates the system's robust performance. Furthermore, this investigation offers novel insights into human-AI collaboration for diagnosing intricate fine-grained pathologies. Our results highlight the substantial clinical potential of S2S AI across varied healthcare environments and disease entities, facilitating deeper integration of artificial intelligence in radiological diagnostics.

放射图像在疾病诊断中起着关键作用,但准确地解释它们需要大量的专业知识和工作量。最近的研究已经推进了基于人工智能的医学图像分析,但在需要对细粒度疾病进行多阶段诊断的实际临床实践中,这种进步仍然有限。本研究提出了一种筛选到亚型(S2S)的人工智能模式,专门用于细粒性疾病的准确放射诊断,涵盖了从初始筛查到最终亚型的整个诊断过程。S2S框架集成了来自多个诊断阶段、放射视点、病变尺寸和成像模式的信息,以解决复杂的诊断挑战。使用细粒度胸部癌症亚型的大规模、多中心放射学数据集进行评估,证明了该系统的稳健性能。此外,这项研究为人类与人工智能合作诊断复杂的细粒度病理提供了新的见解。我们的研究结果强调了S2S人工智能在不同医疗环境和疾病实体中的巨大临床潜力,促进了人工智能在放射诊断中的更深层次整合。
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引用次数: 0
Coordination of network heterogeneity and individual preferences promotes collective fairness. 网络异质性与个体偏好的协调促进了集体公平。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-16 eCollection Date: 2025-11-14 DOI: 10.1016/j.patter.2025.101293
Xiao Han, Shangmei Ma, Wen-Xu Wang, Angel Sánchez, H Eugene Stanley, Shinan Cao, Boyu Zhang

There are intensive debates about whether heterogeneous networks promote prosocial behaviors such as fairness and cooperation. Theoretical models predict that network heterogeneity plays a positive role, but this prediction has not been validated by experiments. We reconcile this debate by conducting experiments with two-stage ultimatum games on networks. In the first stage, we identify responders with strong fairness preferences, referred to as leaders. In the second stage, when leaders occupy high-degree nodes in a heterogeneous network, their ability to motivate fairness among neighboring proposers is amplified, and collective fairness is facilitated. We propose an evolutionary game model and an agent-based simulation framework that capture the microscopic mechanisms underlying the networked experiments. Our experiments, model, and simulations suggest that network reciprocity is achievable but requires coordinated interactions between different prosocial inclinations of individuals and social network structures.

关于异质网络是否促进亲社会行为,如公平和合作,存在激烈的争论。理论模型预测网络异质性起着积极的作用,但这一预测尚未得到实验的验证。我们通过在网络上进行两阶段最后通牒博弈的实验来调和这一争论。在第一阶段,我们确定具有强烈公平偏好的应答者,称为领导者。在第二阶段,当领导者在异构网络中占据高节点时,其激励相邻提议者公平的能力被放大,促进了集体公平。我们提出了一个进化博弈模型和一个基于主体的模拟框架,以捕捉网络实验背后的微观机制。我们的实验、模型和模拟表明,网络互惠是可以实现的,但需要个人不同的亲社会倾向和社会网络结构之间的协调互动。
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引用次数: 0
⁠Advancing ethical AI in healthcare through interpretability. 通过可解释性推进医疗保健领域的伦理AI。
IF 6.7 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-13 DOI: 10.1016/j.patter.2025.101290
Yilin Ning, Mingxuan Liu, Nan Liu

Interpretability is essential for building trust in health artificial intelligence (AI), but ensuring trustworthiness requires addressing broader ethical concerns, such as fairness, privacy, and reliability. This opinion article discusses the multilayered role of interpretability and transparency in addressing these concerns by highlighting their fundamental contribution to the responsible adoption and regulation of health AI.

可解释性对于建立健康人工智能(AI)的信任至关重要,但确保可信赖性需要解决更广泛的伦理问题,如公平性、隐私性和可靠性。这篇意见文章通过强调可解释性和透明度对负责任地采用和管理卫生人工智能的根本贡献,讨论了可解释性和透明度在解决这些关切方面的多层作用。
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引用次数: 0
Tokenized and continuous embedding compressions of protein sequence and structure. 蛋白质序列和结构的标记化和连续嵌入压缩。
IF 6.7 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-13 DOI: 10.1016/j.patter.2025.101289
Amy X Lu, Wilson Yan, Kevin K Yang, Vladimir Gligorijevic, Kyunghyun Cho, Pieter Abbeel, Richard Bonneau, Nathan C Frey

Existing protein machine learning representations typically model either the sequence or structure distribution, with the other modality implicit. Here, we characterize an embedding of the joint distribution of protein sequence and structure by compressing the latent space of the protein folding model ESMFold. This provides mechanistic interpretability insights, as well as a flexible compressed representation. We term these CHEAP (compressed hourglass embedding adaptations of proteins) embeddings. In continuous compression schemes, the ESMFold latent space can be reduced by factors of 128 × along the channel and 8 × along the length while retaining structure information at <2 Å scale accuracy and performing competitively on protein function and localization benchmarks. In discrete compression schemes, we construct a tokenized all-atom structure vocabulary that retains high reconstruction accuracy, thus introducing a tokenized representation of an all-atom structure that can be obtained from the sequence alone. CHEAP democratizes representations captured by large models and can enable flexible downstream applications such as generation, search, and prediction.

现有的蛋白质机器学习表示通常对序列或结构分布进行建模,而对其他模态进行隐式建模。在这里,我们通过压缩蛋白质折叠模型ESMFold的潜在空间来表征蛋白质序列和结构的联合分布的嵌入。这提供了机械性的可解释性见解,以及灵活的压缩表示。我们称这些为CHEAP(压缩沙漏嵌入适应蛋白质)嵌入。在连续压缩方案中,ESMFold隐空间沿通道方向可减小128倍,沿长度方向可减小8倍,同时保留结构信息
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引用次数: 0
Highlighting the achievements and impact of women in data science. 突出女性在数据科学领域的成就和影响。
IF 7.4 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-06-13 DOI: 10.1016/j.patter.2025.101263
Lauren Higa, Youping Deng

Women have been instrumental in shaping data science from its earliest days. This opinion highlights both the achievements and the ongoing challenges faced by women in the field, emphasizing that a wide range of perspectives and backgrounds among data scientists is essential to drive innovation and improve research quality.

从早期开始,女性就在塑造数据科学方面发挥了重要作用。这一观点强调了女性在该领域所取得的成就和面临的挑战,强调数据科学家之间广泛的视角和背景对于推动创新和提高研究质量至关重要。
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引用次数: 0
期刊
Patterns
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