定量探索了量子化学参考数据的训练神经网络（NNS）预测的不确定性量化的价值。为此，适当地修改了Physnet NN的体系结构，并使用不同的指标评估所得模型，以量化校准，预测质量以及预测误差和预测的不确定性是否可以相关。 QM9数据库培训的结果以及分布内外的测试集的数据表明，错误和不确定性与线性无关。结果阐明了噪声和冗余使分子的性质预测复杂化，即使在发生变化的情况下，例如在两个原本相同的分子中的双键迁移 - 很小。然后将模型应用于互变异反应的真实数据库。分析特征空间中的成员之间的距离与其他参数结合在一起表明，训练数据集中的冗余信息会导致较大的差异和小错误，而存在相似但非特定的信息的存在会返回大错误，但差异很小。例如，这是对含硝基的脂肪族链的观察到的，尽管训练集包含了与芳香族分子结合的硝基组的几个示例，但这些预测很困难。这强调了训练数据组成的重要性，并提供了化学洞察力，以了解这如何影响ML模型的预测能力。最后，提出的方法可用于通过主动学习优化基于信息的化学数据库改进目标应用程序。

Ithaca is a Fuzzy Logic (FL) plugin for developing artificial intelligence systems within the Unity game engine. Its goal is to provide an intuitive and natural way to build advanced artificial intelligence systems, making the implementation of such a system faster and more affordable. The software is made up by a C\# framework and an Application Programming Interface (API) for writing inference systems, as well as a set of tools for graphic development and debugging. Additionally, a Fuzzy Control Language (FCL) parser is provided in order to import systems previously defined using this standard.

Data deprivation, or the lack of easily available and actionable information on the well-being of individuals, is a significant challenge for the developing world and an impediment to the design and operationalization of policies intended to alleviate poverty. In this paper we explore the suitability of data derived from OpenStreetMap to proxy for the location of two crucial public services: schools and health clinics. Thanks to the efforts of thousands of digital humanitarians, online mapping repositories such as OpenStreetMap contain millions of records on buildings and other structures, delineating both their location and often their use. Unfortunately much of this data is locked in complex, unstructured text rendering it seemingly unsuitable for classifying schools or clinics. We apply a scalable, unsupervised learning method to unlabeled OpenStreetMap building data to extract the location of schools and health clinics in ten countries in Africa. We find the topic modeling approach greatly improves performance versus reliance on structured keys alone. We validate our results by comparing schools and clinics identified by our OSM method versus those identified by the WHO, and describe OSM coverage gaps more broadly.

In this paper, we present an evolved version of the Situational Graphs, which jointly models in a single optimizable factor graph, a SLAM graph, as a set of robot keyframes, containing its associated measurements and robot poses, and a 3D scene graph, as a high-level representation of the environment that encodes its different geometric elements with semantic attributes and the relational information between those elements. Our proposed S-Graphs+ is a novel four-layered factor graph that includes: (1) a keyframes layer with robot pose estimates, (2) a walls layer representing wall surfaces, (3) a rooms layer encompassing sets of wall planes, and (4) a floors layer gathering the rooms within a given floor level. The above graph is optimized in real-time to obtain a robust and accurate estimate of the robot's pose and its map, simultaneously constructing and leveraging the high-level information of the environment. To extract such high-level information, we present novel room and floor segmentation algorithms utilizing the mapped wall planes and free-space clusters. We tested S-Graphs+ on multiple datasets including, simulations of distinct indoor environments, on real datasets captured over several construction sites and office environments, and on a real public dataset of indoor office environments. S-Graphs+ outperforms relevant baselines in the majority of the datasets while extending the robot situational awareness by a four-layered scene model. Moreover, we make the algorithm available as a docker file.

Algorithms that involve both forecasting and optimization are at the core of solutions to many difficult real-world problems, such as in supply chains (inventory optimization), traffic, and in the transition towards carbon-free energy generation in battery/load/production scheduling in sustainable energy systems. Typically, in these scenarios we want to solve an optimization problem that depends on unknown future values, which therefore need to be forecast. As both forecasting and optimization are difficult problems in their own right, relatively few research has been done in this area. This paper presents the findings of the ``IEEE-CIS Technical Challenge on Predict+Optimize for Renewable Energy Scheduling," held in 2021. We present a comparison and evaluation of the seven highest-ranked solutions in the competition, to provide researchers with a benchmark problem and to establish the state of the art for this benchmark, with the aim to foster and facilitate research in this area. The competition used data from the Monash Microgrid, as well as weather data and energy market data. It then focused on two main challenges: forecasting renewable energy production and demand, and obtaining an optimal schedule for the activities (lectures) and on-site batteries that lead to the lowest cost of energy. The most accurate forecasts were obtained by gradient-boosted tree and random forest models, and optimization was mostly performed using mixed integer linear and quadratic programming. The winning method predicted different scenarios and optimized over all scenarios jointly using a sample average approximation method.

The study aims the development of a wearable device to combat the onslaught of covid-19. Likewise, to enhance the regular face shield available in the market. Furthermore, to raise awareness of the health and safety protocols initiated by the government and its affiliates in the enforcement of social distancing with the integration of computer vision algorithms. The wearable device was composed of various hardware and software components such as a transparent polycarbonate face shield, microprocessor, sensors, camera, thin-film transistor on-screen display, jumper wires, power bank, and python programming language. The algorithm incorporated in the study was object detection under computer vision machine learning. The front camera with OpenCV technology determines the distance of a person in front of the user. Utilizing TensorFlow, the target object identifies and detects the image or live feed to get its bounding boxes. The focal length lens requires the determination of the distance from the camera to the target object. To get the focal length, multiply the pixel width by the known distance and divide it by the known width (Rosebrock, 2020). The deployment of unit testing ensures that the parameters are valid in terms of design and specifications.

Chatbots are expected to be knowledgeable across multiple domains, e.g. for daily chit-chat, exchange of information, and grounding in emotional situations. To effectively measure the quality of such conversational agents, a model-based automatic dialogue evaluation metric (ADEM) is expected to perform well across multiple domains. Despite significant progress, an ADEM that works well in one domain does not necessarily generalize to another. This calls for a dedicated network architecture for domain generalization. To tackle the multi-domain dialogue evaluation task, we propose a Panel of Experts (PoE), a multitask network that consists of a shared transformer encoder and a collection of lightweight adapters. The shared encoder captures the general knowledge of dialogues across domains, while each adapter specializes in one specific domain and serves as a domain expert. To validate the idea, we construct a high-quality multi-domain dialogue dataset leveraging data augmentation and pseudo-labeling. The PoE network is comprehensively assessed on 16 dialogue evaluation datasets spanning a wide range of dialogue domains. It achieves state-of-the-art performance in terms of mean Spearman correlation over all the evaluation datasets. It exhibits better zero-shot generalization than existing state-of-the-art ADEMs and the ability to easily adapt to new domains with few-shot transfer learning.

Its numerous applications make multi-human 3D pose estimation a remarkably impactful area of research. Nevertheless, assuming a multiple-view system composed of several regular RGB cameras, 3D multi-pose estimation presents several challenges. First of all, each person must be uniquely identified in the different views to separate the 2D information provided by the cameras. Secondly, the 3D pose estimation process from the multi-view 2D information of each person must be robust against noise and potential occlusions in the scenario. In this work, we address these two challenges with the help of deep learning. Specifically, we present a model based on Graph Neural Networks capable of predicting the cross-view correspondence of the people in the scenario along with a Multilayer Perceptron that takes the 2D points to yield the 3D poses of each person. These two models are trained in a self-supervised manner, thus avoiding the need for large datasets with 3D annotations.

We consider distributed learning in the presence of slow and unresponsive worker nodes, referred to as stragglers. In order to mitigate the effect of stragglers, gradient coding redundantly assigns partial computations to the worker such that the overall result can be recovered from only the non-straggling workers. Gradient codes are designed to tolerate a fixed number of stragglers. Since the number of stragglers in practice is random and unknown a priori, tolerating a fixed number of stragglers can yield a sub-optimal computation load and can result in higher latency. We propose a gradient coding scheme that can tolerate a flexible number of stragglers by carefully concatenating gradient codes for different straggler tolerance. By proper task scheduling and small additional signaling, our scheme adapts the computation load of the workers to the actual number of stragglers. We analyze the latency of our proposed scheme and show that it has a significantly lower latency than gradient codes.

The circular coordinates algorithm of de Silva, Morozov, and Vejdemo-Johansson takes as input a dataset together with a cohomology class representing a $1$-dimensional hole in the data; the output is a map from the data into the circle that captures this hole, and that is of minimum energy in a suitable sense. However, when applied to several cohomology classes, the output circle-valued maps can be "geometrically correlated" even if the chosen cohomology classes are linearly independent. It is shown in the original work that less correlated maps can be obtained with suitable integer linear combinations of the cohomology classes, with the linear combinations being chosen by inspection. In this paper, we identify a formal notion of geometric correlation between circle-valued maps which, in the Riemannian manifold case, corresponds to the Dirichlet form, a bilinear form derived from the Dirichlet energy. We describe a systematic procedure for constructing low energy torus-valued maps on data, starting from a set of linearly independent cohomology classes. We showcase our procedure with computational examples. Our main algorithm is based on the Lenstra--Lenstra--Lov\'asz algorithm from computational number theory.