To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n{\deg}831472), which was comprised of 10 pharmaceutical companies, academic research labs, large industrial companies and startups. The MELLODDY platform was the first industry-scale platform to enable the creation of a global federated model for drug discovery without sharing the confidential data sets of the individual partners. The federated model was trained on the platform by aggregating the gradients of all contributing partners in a cryptographic, secure way following each training iteration. The platform was deployed on an Amazon Web Services (AWS) multi-account architecture running Kubernetes clusters in private subnets. Organisationally, the roles of the different partners were codified as different rights and permissions on the platform and administrated in a decentralized way. The MELLODDY platform generated new scientific discoveries which are described in a companion paper.
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制药行业可以更好地利用其数据资产来通过协作机器学习平台虚拟化药物发现。另一方面，由于参与者的培训数据的意外泄漏，存在不可忽略的风险，因此，对于这样的平台，必须安全和隐私权。本文介绍了在药物发现的临床前阶段进行协作建模的隐私风险评估，以加快有前途的候选药物的选择。在最新推理攻击的简短分类法之后，我们采用并定制了几种基础情况。最后，我们用一些相关的隐私保护技术来描述和实验，以减轻此类攻击。
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Data-driven Machine Learning has emerged as a promising approach for building accurate and robust statistical models from medical data, which is collected in huge volumes by modern healthcare systems. Existing medical data is not fully exploited by ML primarily because it sits in data silos and privacy concerns restrict access to this data. However, without access to sufficient data, ML will be prevented from reaching its full potential and, ultimately, from making the transition from research to clinical practice. This paper considers key factors contributing to this issue, explores how Federated Learning (FL) may provide a solution for the future of digital health and highlights the challenges and considerations that need to * Disclaimer: The opinions expressed herein are those of the authors and do not necessarily represent those of the institutions they are affiliated with, e.g. the U.S. Department of Health and Human Services or the National Institutes of Health. This is a pre-print version of https://www.nature.com/articles/s41746-020-00323-1 be addressed.
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For long-term simultaneous planning, localization and mapping (SPLAM), a robot should be able to continuously update its map according to the dynamic changes of the environment and the new areas explored. With limited onboard computation capabilities, a robot should also be able to limit the size of the map used for online localization and mapping. This paper addresses these challenges using a memory management mechanism, which identifies locations that should remain in a Working Memory (WM) for online processing from locations that should be transferred to a Long-Term Memory (LTM). When revisiting previously mapped areas that are in LTM, the mechanism can retrieve these locations and place them back in WM for online SPLAM. The approach is tested on a robot equipped with a short-range laser rangefinder and a RGB-D camera, patrolling autonomously 10.5 km in an indoor environment over 11 sessions while having encountered 139 people.
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Vision transformers have emerged as powerful tools for many computer vision tasks. It has been shown that their features and class tokens can be used for salient object segmentation. However, the properties of segmentation transformers remain largely unstudied. In this work we conduct an in-depth study of the spatial attentions of different backbone layers of semantic segmentation transformers and uncover interesting properties. The spatial attentions of a patch intersecting with an object tend to concentrate within the object, whereas the attentions of larger, more uniform image areas rather follow a diffusive behavior. In other words, vision transformers trained to segment a fixed set of object classes generalize to objects well beyond this set. We exploit this by extracting heatmaps that can be used to segment unknown objects within diverse backgrounds, such as obstacles in traffic scenes. Our method is training-free and its computational overhead negligible. We use off-the-shelf transformers trained for street-scene segmentation to process other scene types.
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Unpaired exemplar-based image-to-image (UEI2I) translation aims to translate a source image to a target image domain with the style of a target image exemplar, without ground-truth input-translation pairs. Existing UEI2I methods represent style using either a global, image-level feature vector, or one vector per object instance/class but requiring knowledge of the scene semantics. Here, by contrast, we propose to represent style as a dense feature map, allowing for a finer-grained transfer to the source image without requiring any external semantic information. We then rely on perceptual and adversarial losses to disentangle our dense style and content representations, and exploit unsupervised cross-domain semantic correspondences to warp the exemplar style to the source content. We demonstrate the effectiveness of our method on two datasets using standard metrics together with a new localized style metric measuring style similarity in a class-wise manner. Our results evidence that the translations produced by our approach are more diverse and closer to the exemplars than those of the state-of-the-art methods while nonetheless preserving the source content.
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The optimal layout of a complex system such as aerospace vehicles consists in placing a given number of components in a container in order to minimize one or several objectives under some geometrical or functional constraints. This paper presents an extended formulation of this problem as a variable-size design space (VSDS) problem to take into account a large number of architectural choices and components allocation during the design process. As a representative example of such systems, considering the layout of a satellite module, the VSDS aspect translates the fact that the optimizer has to choose between several subdivisions of the components. For instance, one large tank of fuel might be placed as well as two smaller tanks or three even smaller tanks for the same amount of fuel. In order to tackle this NP-hard problem, a genetic algorithm enhanced by an adapted hidden-variables mechanism is proposed. This latter is illustrated on a toy case and an aerospace application case representative to real world complexity to illustrate the performance of the proposed algorithms. The results obtained using the proposed mechanism are reported and analyzed.
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Automatic differentiation (AD) is a technique for computing the derivative of a function represented by a program. This technique is considered as the de-facto standard for computing the differentiation in many machine learning and optimisation software tools. Despite the practicality of this technique, the performance of the differentiated programs, especially for functional languages and in the presence of vectors, is suboptimal. We present an AD system for a higher-order functional array-processing language. The core functional language underlying this system simultaneously supports both source-to-source forward-mode AD and global optimisations such as loop transformations. In combination, gradient computation with forward-mode AD can be as efficient as reverse mode, and the Jacobian matrices required for numerical algorithms such as Gauss-Newton and Levenberg-Marquardt can be efficiently computed.
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With the rise of task-specific pre-training objectives, abstractive summarization models like PEGASUS offer appealing zero-shot performance on downstream summarization tasks. However, the performance of such unsupervised models still lags significantly behind their supervised counterparts. Similarly to the supervised setup, we notice a very high variance in quality among summary candidates from these models whereas only one candidate is kept as the summary output. In this paper, we propose to re-rank summary candidates in an unsupervised manner, aiming to close the performance gap between unsupervised and supervised models. Our approach improves the pre-trained unsupervised PEGASUS by 4.37% to 7.27% relative mean ROUGE across four widely-adopted summarization benchmarks, and achieves relative gains of 7.51% (up to 23.73%) averaged over 30 transfer setups.
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Cutting planes are a crucial component of state-of-the-art mixed-integer programming solvers, with the choice of which subset of cuts to add being vital for solver performance. We propose new distance-based measures to qualify the value of a cut by quantifying the extent to which it separates relevant parts of the relaxed feasible set. For this purpose, we use the analytic centers of the relaxation polytope or of its optimal face, as well as alternative optimal solutions of the linear programming relaxation. We assess the impact of the choice of distance measure on root node performance and throughout the whole branch-and-bound tree, comparing our measures against those prevalent in the literature. Finally, by a multi-output regression, we predict the relative performance of each measure, using static features readily available before the separation process. Our results indicate that analytic center-based methods help to significantly reduce the number of branch-and-bound nodes needed to explore the search space and that our multiregression approach can further improve on any individual method.
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