联合学习是一种来自分散数据集的培训模型的新兴技术。在许多应用程序中，参与联合学习系统的数据所有者不仅拥有数据，还拥有一组域知识。这些知识包括人类的知识和工艺，对联邦学习任务非常有帮助。在这项工作中，我们提出了一个联合学习框架，该框架允许注入参与者的领域知识，其中关键思想是通过本地知识来完善全球模型。我们认为的方案是由真正的行业级应用激励的，我们证明了我们采用该应用的有效性。

联合学习是一种流行的技术，用于在不共享数据的情况下培训分布式数据源上的机器学习模型。基于垂直的联合学习或基于功能的联合学习适用于不同数据源共享相同的样本ID空间但在特征空间中不同的情况。为了确保数据所有者的长期参与，客观地评估每个数据源的贡献并相应地汇总贡献至关重要。福利价值（SV）是源自合作博弈论的可怕公平贡献估值指标。然而，计算SV需要在数据源的每个子集中广泛地重新培训模型，这导致联合学习中的高通信成本。我们提出了一种基于SV的垂直联合福利价值（VerfedSv）的贡献估值度量。我们表明Verfedsv不仅满足了公平性的许多理想的属性，而且还有效地计算，并且可以适用于同步和异步垂直联合学习算法。理论分析和广泛的实验结果均验证了Verfedsv的公平性，效率和适应性。

联合学习是一种新兴的分散机器学习方案，允许多个数据所有者在确保数据隐私的同时协同工作。联邦学习的成功在很大程度上取决于数据所有者的参与。为了维持和鼓励数据业主的参与，公正地评估数据所有者提供的数据质量并相应地奖励它们是至关重要的。联邦福利价值，最近由Wang等人提出。 [联合学习，2020]是联合学习框架下的数据值的措施，其满足数据估值的许多所需属性。然而，联邦福利价值设计中潜在的不公平仍然存在因素，因为具有相同本地数据的两个数据所有者可能无法接收相同的评估。我们提出了一种新的措施，称为已联邦福利价值，以提高联邦福利价值的公平性。该设计取决于完成由数据所有者的不同子集的所有可能贡献组成的矩阵。它在温和条件下显示，该矩阵通过利用优化而利用概念和工具而大致低等级。理论分析和实证评估都验证了拟议的措施在许多情况下改善公平性。

Artificial Intelligence (AI) has become commonplace to solve routine everyday tasks. Because of the exponential growth in medical imaging data volume and complexity, the workload on radiologists is steadily increasing. We project that the gap between the number of imaging exams and the number of expert radiologist readers required to cover this increase will continue to expand, consequently introducing a demand for AI-based tools that improve the efficiency with which radiologists can comfortably interpret these exams. AI has been shown to improve efficiency in medical-image generation, processing, and interpretation, and a variety of such AI models have been developed across research labs worldwide. However, very few of these, if any, find their way into routine clinical use, a discrepancy that reflects the divide between AI research and successful AI translation. To address the barrier to clinical deployment, we have formed MONAI Consortium, an open-source community which is building standards for AI deployment in healthcare institutions, and developing tools and infrastructure to facilitate their implementation. This report represents several years of weekly discussions and hands-on problem solving experience by groups of industry experts and clinicians in the MONAI Consortium. We identify barriers between AI-model development in research labs and subsequent clinical deployment and propose solutions. Our report provides guidance on processes which take an imaging AI model from development to clinical implementation in a healthcare institution. We discuss various AI integration points in a clinical Radiology workflow. We also present a taxonomy of Radiology AI use-cases. Through this report, we intend to educate the stakeholders in healthcare and AI (AI researchers, radiologists, imaging informaticists, and regulators) about cross-disciplinary challenges and possible solutions.

SchNetPack is a versatile neural networks toolbox that addresses both the requirements of method development and application of atomistic machine learning. Version 2.0 comes with an improved data pipeline, modules for equivariant neural networks as well as a PyTorch implementation of molecular dynamics. An optional integration with PyTorch Lightning and the Hydra configuration framework powers a flexible command-line interface. This makes SchNetPack 2.0 easily extendable with custom code and ready for complex training task such as generation of 3d molecular structures.

Generating realistic 3D worlds occupied by moving humans has many applications in games, architecture, and synthetic data creation. But generating such scenes is expensive and labor intensive. Recent work generates human poses and motions given a 3D scene. Here, we take the opposite approach and generate 3D indoor scenes given 3D human motion. Such motions can come from archival motion capture or from IMU sensors worn on the body, effectively turning human movement in a "scanner" of the 3D world. Intuitively, human movement indicates the free-space in a room and human contact indicates surfaces or objects that support activities such as sitting, lying or touching. We propose MIME (Mining Interaction and Movement to infer 3D Environments), which is a generative model of indoor scenes that produces furniture layouts that are consistent with the human movement. MIME uses an auto-regressive transformer architecture that takes the already generated objects in the scene as well as the human motion as input, and outputs the next plausible object. To train MIME, we build a dataset by populating the 3D FRONT scene dataset with 3D humans. Our experiments show that MIME produces more diverse and plausible 3D scenes than a recent generative scene method that does not know about human movement. Code and data will be available for research at https://mime.is.tue.mpg.de.

Synthetic data generation has recently gained widespread attention as a more reliable alternative to traditional data anonymization. The involved methods are originally developed for image synthesis. Hence, their application to the typically tabular and relational datasets from healthcare, finance and other industries is non-trivial. While substantial research has been devoted to the generation of realistic tabular datasets, the study of synthetic relational databases is still in its infancy. In this paper, we combine the variational autoencoder framework with graph neural networks to generate realistic synthetic relational databases. We then apply the obtained method to two publicly available databases in computational experiments. The results indicate that real databases' structures are accurately preserved in the resulting synthetic datasets, even for large datasets with advanced data types.

We develop a wall model for large-eddy simulation (LES) that takes into account various pressure-gradient effects using multi-agent reinforcement learning (MARL). The model is trained using low-Reynolds-number flow over periodic hills with agents distributed on the wall along the computational grid points. The model utilizes a wall eddy-viscosity formulation as the boundary condition, which is shown to provide better predictions of the mean velocity field, rather than the typical wall-shear stress formulation. Each agent receives states based on local instantaneous flow quantities at an off-wall location, computes a reward based on the estimated wall-shear stress, and provides an action to update the wall eddy viscosity at each time step. The trained wall model is validated in wall-modeled LES (WMLES) of flow over periodic hills at higher Reynolds numbers, and the results show the effectiveness of the model on flow with pressure gradients. The analysis of the trained model indicates that the model is capable of distinguishing between the various pressure gradient regimes present in the flow.

Multi-agent artificial intelligence research promises a path to develop intelligent technologies that are more human-like and more human-compatible than those produced by "solipsistic" approaches, which do not consider interactions between agents. Melting Pot is a research tool developed to facilitate work on multi-agent artificial intelligence, and provides an evaluation protocol that measures generalization to novel social partners in a set of canonical test scenarios. Each scenario pairs a physical environment (a "substrate") with a reference set of co-players (a "background population"), to create a social situation with substantial interdependence between the individuals involved. For instance, some scenarios were inspired by institutional-economics-based accounts of natural resource management and public-good-provision dilemmas. Others were inspired by considerations from evolutionary biology, game theory, and artificial life. Melting Pot aims to cover a maximally diverse set of interdependencies and incentives. It includes the commonly-studied extreme cases of perfectly-competitive (zero-sum) motivations and perfectly-cooperative (shared-reward) motivations, but does not stop with them. As in real-life, a clear majority of scenarios in Melting Pot have mixed incentives. They are neither purely competitive nor purely cooperative and thus demand successful agents be able to navigate the resulting ambiguity. Here we describe Melting Pot 2.0, which revises and expands on Melting Pot. We also introduce support for scenarios with asymmetric roles, and explain how to integrate them into the evaluation protocol. This report also contains: (1) details of all substrates and scenarios; (2) a complete description of all baseline algorithms and results. Our intention is for it to serve as a reference for researchers using Melting Pot 2.0.

We present a new perspective on loss minimization and the recent notion of Omniprediction through the lens of Outcome Indistingusihability. For a collection of losses and hypothesis class, omniprediction requires that a predictor provide a loss-minimization guarantee simultaneously for every loss in the collection compared to the best (loss-specific) hypothesis in the class. We present a generic template to learn predictors satisfying a guarantee we call Loss Outcome Indistinguishability. For a set of statistical tests--based on a collection of losses and hypothesis class--a predictor is Loss OI if it is indistinguishable (according to the tests) from Nature's true probabilities over outcomes. By design, Loss OI implies omniprediction in a direct and intuitive manner. We simplify Loss OI further, decomposing it into a calibration condition plus multiaccuracy for a class of functions derived from the loss and hypothesis classes. By careful analysis of this class, we give efficient constructions of omnipredictors for interesting classes of loss functions, including non-convex losses. This decomposition highlights the utility of a new multi-group fairness notion that we call calibrated multiaccuracy, which lies in between multiaccuracy and multicalibration. We show that calibrated multiaccuracy implies Loss OI for the important set of convex losses arising from Generalized Linear Models, without requiring full multicalibration. For such losses, we show an equivalence between our computational notion of Loss OI and a geometric notion of indistinguishability, formulated as Pythagorean theorems in the associated Bregman divergence. We give an efficient algorithm for calibrated multiaccuracy with computational complexity comparable to that of multiaccuracy. In all, calibrated multiaccuracy offers an interesting tradeoff point between efficiency and generality in the omniprediction landscape.