由于其弱监督性，多个实例学习（MIL）在许多现实生活中的机器学习应用中都获得了受欢迎程度。但是，解释MIL滞后的相应努力，通常仅限于提出对特定预测至关重要的袋子的实例。在本文中，我们通过引入Protomil，这是一种新型的自我解释的MIL方法，该方法受到基于案例的推理过程的启发，该方法是基于案例的推理过程，该方法在视觉原型上运行。由于将原型特征纳入对象描述中，Protomil空前加入了模型的准确性和细粒度的可解释性，我们在五个公认的MIL数据集上进行了实验。

Using robots in educational contexts has already shown to be beneficial for a student's learning and social behaviour. For levitating them to the next level of providing more effective and human-like tutoring, the ability to adapt to the user and to express proactivity is fundamental. By acting proactively, intelligent robotic tutors anticipate possible situations where problems for the student may arise and act in advance for preventing negative outcomes. Still, the decisions of when and how to behave proactively are open questions. Therefore, this paper deals with the investigation of how the student's cognitive-affective states can be used by a robotic tutor for triggering proactive tutoring dialogue. In doing so, it is aimed to improve the learning experience. For this reason, a concept learning task scenario was observed where a robotic assistant proactively helped when negative user states were detected. In a learning task, the user's states of frustration and confusion were deemed to have negative effects on the outcome of the task and were used to trigger proactive behaviour. In an empirical user study with 40 undergraduate and doctoral students, we studied whether the initiation of proactive behaviour after the detection of signs of confusion and frustration improves the student's concentration and trust in the agent. Additionally, we investigated which level of proactive dialogue is useful for promoting the student's concentration and trust. The results show that high proactive behaviour harms trust, especially when triggered during negative cognitive-affective states but contributes to keeping the student focused on the task when triggered in these states. Based on our study results, we further discuss future steps for improving the proactive assistance of robotic tutoring systems.

Applications such as employees sharing office spaces over a workweek can be modeled as problems where agents are matched to resources over multiple rounds. Agents' requirements limit the set of compatible resources and the rounds in which they want to be matched. Viewing such an application as a multi-round matching problem on a bipartite compatibility graph between agents and resources, we show that a solution (i.e., a set of matchings, with one matching per round) can be found efficiently if one exists. To cope with situations where a solution does not exist, we consider two extensions. In the first extension, a benefit function is defined for each agent and the objective is to find a multi-round matching to maximize the total benefit. For a general class of benefit functions satisfying certain properties (including diminishing returns), we show that this multi-round matching problem is efficiently solvable. This class includes utilitarian and Rawlsian welfare functions. For another benefit function, we show that the maximization problem is NP-hard. In the second extension, the objective is to generate advice to each agent (i.e., a subset of requirements to be relaxed) subject to a budget constraint so that the agent can be matched. We show that this budget-constrained advice generation problem is NP-hard. For this problem, we develop an integer linear programming formulation as well as a heuristic based on local search. We experimentally evaluate our algorithms on synthetic networks and apply them to two real-world situations: shared office spaces and matching courses to classrooms.

We study the fundamental question of how to define and measure the distance from calibration for probabilistic predictors. While the notion of perfect calibration is well-understood, there is no consensus on how to quantify the distance from perfect calibration. Numerous calibration measures have been proposed in the literature, but it is unclear how they compare to each other, and many popular measures such as Expected Calibration Error (ECE) fail to satisfy basic properties like continuity. We present a rigorous framework for analyzing calibration measures, inspired by the literature on property testing. We propose a ground-truth notion of distance from calibration: the $\ell_1$ distance to the nearest perfectly calibrated predictor. We define a consistent calibration measure as one that is a polynomial factor approximation to the this distance. Applying our framework, we identify three calibration measures that are consistent and can be estimated efficiently: smooth calibration, interval calibration, and Laplace kernel calibration. The former two give quadratic approximations to the ground truth distance, which we show is information-theoretically optimal. Our work thus establishes fundamental lower and upper bounds on measuring distance to calibration, and also provides theoretical justification for preferring certain metrics (like Laplace kernel calibration) in practice.

For conceptual design, engineers rely on conventional iterative (often manual) techniques. Emerging parametric models facilitate design space exploration based on quantifiable performance metrics, yet remain time-consuming and computationally expensive. Pure optimisation methods, however, ignore qualitative aspects (e.g. aesthetics or construction methods). This paper provides a performance-driven design exploration framework to augment the human designer through a Conditional Variational Autoencoder (CVAE), which serves as forward performance predictor for given design features as well as an inverse design feature predictor conditioned on a set of performance requests. The CVAE is trained on 18'000 synthetically generated instances of a pedestrian bridge in Switzerland. Sensitivity analysis is employed for explainability and informing designers about (i) relations of the model between features and/or performances and (ii) structural improvements under user-defined objectives. A case study proved our framework's potential to serve as a future co-pilot for conceptual design studies of pedestrian bridges and beyond.

The demonstrated success of transfer learning has popularized approaches that involve pretraining models from massive data sources and subsequent finetuning towards a specific task. While such approaches have become the norm in fields such as natural language processing, implementation and evaluation of transfer learning approaches for chemistry are in the early stages. In this work, we demonstrate finetuning for downstream tasks on a graph neural network (GNN) trained over a molecular database containing 2.7 million water clusters. The use of Graphcore IPUs as an AI accelerator for training molecular GNNs reduces training time from a reported 2.7 days on 0.5M clusters to 1.2 hours on 2.7M clusters. Finetuning the pretrained model for downstream tasks of molecular dynamics and transfer to a different potential energy surface took only 8.3 hours and 28 minutes, respectively, on a single GPU.

Quantum entanglement is a fundamental property commonly used in various quantum information protocols and algorithms. Nonetheless, the problem of quantifying entanglement has still not reached general solution for systems larger than two qubits. In this paper, we investigate the possibility of detecting entanglement with the use of the supervised machine learning method, namely the deep convolutional neural networks. We build a model consisting of convolutional layers, which is able to recognize and predict the presence of entanglement for any bipartition of the given multi-qubit system. We demonstrate that training our model on synthetically generated datasets collecting random density matrices, which either include or exclude challenging positive-under-partial-transposition entangled states (PPTES), leads to the different accuracy of the model and its possibility to detect such states. Moreover, it is shown that enforcing entanglement-preserving symmetry operations (local operations on qubit or permutations of qubits) by using triple Siamese network, can significantly increase the model performance and ability to generalize on types of states not seen during the training stage. We perform numerical calculations for 3,4 and 5-qubit systems, therefore proving the scalability of the proposed approach.

将人类运营商和虚拟代理（机器人）相结合到有效的混合系统中的前景是为客户提供适当的客户服务的前景，这是有希望而又具有挑战性的。当机器人无法提供适当的服务并在他们喜欢与人类运营商互动时，混合系统会减少客户的挫败感。此外，我们表明，可以通过使虚拟代理能够向人类操作员逐步学习来降低建立和维护此类虚拟代理的成本和努力。我们采用排队理论来确定控制此类混合系统行为和效率的关键参数，并确定应优化应进行优化以改善服务的主要参数。我们正式证明并在广泛的模拟和用户研究中证明，有了适当的选择，这种混合系统能够增加服务客户的数量，同时减少他们的预期等待时间和增加满意度。

许多情况下，具有限制代理商竞争资源的代理商可以作为两分图上的最大匹配问题施放。我们的重点是资源分配问题，在这些问题上，代理可能会限制与某些资源不兼容的限制。我们假设一个原理可以随机选择最大匹配，以便每个代理都具有一定概率的资源。代理商希望通过在一定范围内修改限制来提高他们的匹配机会。原则的目标是建议一个不满意的代理商放松其限制，以便放松的总成本在预算范围内（代理商选择），并最大程度地提高了分配资源的可能性。我们为这种预算受限的最大化问题的某些变体建立硬度结果，并为其他变体提供算法结果。我们通过实验评估合成数据集以及两个新颖的现实数据集：度假活动数据集和一个教室数据集的方法。

在本文中，我们介绍了一个专家注册的数据集，用于检测上市公司提出的现实环境主张。我们训练和发布基线模型，用于使用此新数据集检测环境主张。我们进一步预测了数据集的潜在应用：我们使用微调模型来检测2012年至2020年之间每季度收入电话的回答部分中提出的环境主张 - 我们发现自从巴黎协议中的《巴黎协定》中的环境要求稳步增加2015。