对RAS和RAF蛋白的行为与细胞膜中局部脂质环境之间关系之间的关系的了解对了解癌症形成的基础机制至关重要。在这项工作中,我们采用深度学习(DL)来学习这种关系,通过预测基于脂质膜的RAS和RAS-RAF蛋白复合物的蛋白质定位状态,该状态基于蛋白质结构域周围的脂质密度(CG),相对于脂质膜。分子动力学(MD)模拟。我们的DL模型可以预测六个蛋白质状态,总体准确性超过80%。这项工作的发现为蛋白质如何调节脂质环境提供了新的见解,这反过来又可以帮助设计新型疗法以调节与癌症发展相关的机制中的这种相互作用。
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捕获复杂的生物学现象通常需要多尺度建模,在使用有限的昂贵和高保真模型的有限组件开发粗糙和廉价的模型的情况下。在这里,我们在癌症生物学的背景下考虑了这样的多尺度框架,并解决了评估使用分子动力学模型的一维统计数据开发的连续模型的描述能力的挑战。使用深度学习,我们开发了一个高度预测性的分类模型,该模型可以从连续模型中识别复杂和新兴行为。两次模拟证明了超过99.9%的精度,我们的方法证实了蛋白质特异性的“脂质指纹”的存在,即脂质的空间重排以响应感兴趣的蛋白质。通过此演示,我们的模型还提供了对连续模型的外部验证,肯定了这种多尺度建模的价值,并可以通过进一步分析这些指纹来促进新的见解。
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There are multiple scales of abstraction from which we can describe the same image, depending on whether we are focusing on fine-grained details or a more global attribute of the image. In brain mapping, learning to automatically parse images to build representations of both small-scale features (e.g., the presence of cells or blood vessels) and global properties of an image (e.g., which brain region the image comes from) is a crucial and open challenge. However, most existing datasets and benchmarks for neuroanatomy consider only a single downstream task at a time. To bridge this gap, we introduce a new dataset, annotations, and multiple downstream tasks that provide diverse ways to readout information about brain structure and architecture from the same image. Our multi-task neuroimaging benchmark (MTNeuro) is built on volumetric, micrometer-resolution X-ray microtomography images spanning a large thalamocortical section of mouse brain, encompassing multiple cortical and subcortical regions. We generated a number of different prediction challenges and evaluated several supervised and self-supervised models for brain-region prediction and pixel-level semantic segmentation of microstructures. Our experiments not only highlight the rich heterogeneity of this dataset, but also provide insights into how self-supervised approaches can be used to learn representations that capture multiple attributes of a single image and perform well on a variety of downstream tasks. Datasets, code, and pre-trained baseline models are provided at: https://mtneuro.github.io/ .
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The purpose of this work was to tackle practical issues which arise when using a tendon-driven robotic manipulator with a long, passive, flexible proximal section in medical applications. A separable robot which overcomes difficulties in actuation and sterilization is introduced, in which the body containing the electronics is reusable and the remainder is disposable. A control input which resolves the redundancy in the kinematics and a physical interpretation of this redundancy are provided. The effect of a static change in the proximal section angle on bending angle error was explored under four testing conditions for a sinusoidal input. Bending angle error increased for increasing proximal section angle for all testing conditions with an average error reduction of 41.48% for retension, 4.28% for hysteresis, and 52.35% for re-tension + hysteresis compensation relative to the baseline case. Two major sources of error in tracking the bending angle were identified: time delay from hysteresis and DC offset from the proximal section angle. Examination of these error sources revealed that the simple hysteresis compensation was most effective for removing time delay and re-tension compensation for removing DC offset, which was the primary source of increasing error. The re-tension compensation was also tested for dynamic changes in the proximal section and reduced error in the final configuration of the tip by 89.14% relative to the baseline case.
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Compliance in actuation has been exploited to generate highly dynamic maneuvers such as throwing that take advantage of the potential energy stored in joint springs. However, the energy storage and release could not be well-timed yet. On the contrary, for multi-link systems, the natural system dynamics might even work against the actual goal. With the introduction of variable stiffness actuators, this problem has been partially addressed. With a suitable optimal control strategy, the approximate decoupling of the motor from the link can be achieved to maximize the energy transfer into the distal link prior to launch. However, such continuous stiffness variation is complex and typically leads to oscillatory swing-up motions instead of clear launch sequences. To circumvent this issue, we investigate decoupling for speed maximization with a dedicated novel actuator concept denoted Bi-Stiffness Actuation. With this, it is possible to fully decouple the link from the joint mechanism by a switch-and-hold clutch and simultaneously keep the elastic energy stored. We show that with this novel paradigm, it is not only possible to reach the same optimal performance as with power-equivalent variable stiffness actuation, but even directly control the energy transfer timing. This is a major step forward compared to previous optimal control approaches, which rely on optimizing the full time-series control input.
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The previous fine-grained datasets mainly focus on classification and are often captured in a controlled setup, with the camera focusing on the objects. We introduce the first Fine-Grained Vehicle Detection (FGVD) dataset in the wild, captured from a moving camera mounted on a car. It contains 5502 scene images with 210 unique fine-grained labels of multiple vehicle types organized in a three-level hierarchy. While previous classification datasets also include makes for different kinds of cars, the FGVD dataset introduces new class labels for categorizing two-wheelers, autorickshaws, and trucks. The FGVD dataset is challenging as it has vehicles in complex traffic scenarios with intra-class and inter-class variations in types, scale, pose, occlusion, and lighting conditions. The current object detectors like yolov5 and faster RCNN perform poorly on our dataset due to a lack of hierarchical modeling. Along with providing baseline results for existing object detectors on FGVD Dataset, we also present the results of a combination of an existing detector and the recent Hierarchical Residual Network (HRN) classifier for the FGVD task. Finally, we show that FGVD vehicle images are the most challenging to classify among the fine-grained datasets.
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The task of reconstructing 3D human motion has wideranging applications. The gold standard Motion capture (MoCap) systems are accurate but inaccessible to the general public due to their cost, hardware and space constraints. In contrast, monocular human mesh recovery (HMR) methods are much more accessible than MoCap as they take single-view videos as inputs. Replacing the multi-view Mo- Cap systems with a monocular HMR method would break the current barriers to collecting accurate 3D motion thus making exciting applications like motion analysis and motiondriven animation accessible to the general public. However, performance of existing HMR methods degrade when the video contains challenging and dynamic motion that is not in existing MoCap datasets used for training. This reduces its appeal as dynamic motion is frequently the target in 3D motion recovery in the aforementioned applications. Our study aims to bridge the gap between monocular HMR and multi-view MoCap systems by leveraging information shared across multiple video instances of the same action. We introduce the Neural Motion (NeMo) field. It is optimized to represent the underlying 3D motions across a set of videos of the same action. Empirically, we show that NeMo can recover 3D motion in sports using videos from the Penn Action dataset, where NeMo outperforms existing HMR methods in terms of 2D keypoint detection. To further validate NeMo using 3D metrics, we collected a small MoCap dataset mimicking actions in Penn Action,and show that NeMo achieves better 3D reconstruction compared to various baselines.
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Rigorous guarantees about the performance of predictive algorithms are necessary in order to ensure their responsible use. Previous work has largely focused on bounding the expected loss of a predictor, but this is not sufficient in many risk-sensitive applications where the distribution of errors is important. In this work, we propose a flexible framework to produce a family of bounds on quantiles of the loss distribution incurred by a predictor. Our method takes advantage of the order statistics of the observed loss values rather than relying on the sample mean alone. We show that a quantile is an informative way of quantifying predictive performance, and that our framework applies to a variety of quantile-based metrics, each targeting important subsets of the data distribution. We analyze the theoretical properties of our proposed method and demonstrate its ability to rigorously control loss quantiles on several real-world datasets.
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Traditionally, data analysis and theory have been viewed as separate disciplines, each feeding into fundamentally different types of models. Modern deep learning technology is beginning to unify these two disciplines and will produce a new class of predictively powerful space weather models that combine the physical insights gained by data and theory. We call on NASA to invest in the research and infrastructure necessary for the heliophysics' community to take advantage of these advances.
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In the Earth's magnetosphere, there are fewer than a dozen dedicated probes beyond low-Earth orbit making in-situ observations at any given time. As a result, we poorly understand its global structure and evolution, the mechanisms of its main activity processes, magnetic storms, and substorms. New Artificial Intelligence (AI) methods, including machine learning, data mining, and data assimilation, as well as new AI-enabled missions will need to be developed to meet this Sparse Data challenge.
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