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The problem of scheduling unrelated machines has been studied since the inception of algorithmic mechanism design \cite{NR99}. It is a resource allocation problem that entails assigning $m$ tasks to $n$ machines for execution. Machines are regarded as strategic agents who may lie about their execution costs so as to minimize their allocated workload. To address the situation when monetary payment is not an option to compensate the machines' costs, \citeauthor{DBLP:journals/mst/Koutsoupias14} [2014] devised two \textit{truthful} mechanisms, K and P respectively, that achieve an approximation ratio of $\frac{n+1}{2}$ and $n$, for social cost minimization. In addition, no truthful mechanism can achieve an approximation ratio better than $\frac{n+1}{2}$. Hence, mechanism K is optimal. While approximation ratio provides a strong worst-case guarantee, it also limits us to a comprehensive understanding of mechanism performance on various inputs. This paper investigates these two scheduling mechanisms beyond the worst case. We first show that mechanism K achieves a smaller social cost than mechanism P on every input. That is, mechanism K is pointwise better than mechanism P. Next, for each task $j$, when machines' execution costs $t_i^j$ are independent and identically drawn from a task-specific distribution $F^j(t)$, we show that the average-case approximation ratio of mechanism K converges to a constant. This bound is tight for mechanism K. For a better understanding of this distribution dependent constant, on the one hand, we estimate its value by plugging in a few common distributions; on the other, we show that this converging bound improves a known bound \cite{DBLP:conf/aaai/Zhang18} which only captures the single-task setting. Last, we find that the average-case approximation ratio of mechanism P converges to the same constant.

Current challenges of the manufacturing industry require modular and changeable manufacturing systems that can be adapted to variable conditions with little effort. At the same time, production recipes typically represent important company know-how that should not be directly tied to changing plant configurations. Thus, there is a need to model general production recipes independent of specific plant layouts. For execution of such a recipe however, a binding to then available production resources needs to be made. In this contribution, select a suitable modeling language to model and execute such recipes. Furthermore, we present an approach to solve the issue of recipe modeling and execution in modular plants using semantically modeled capabilities and skills as well as BPMN. We make use of BPMN to model \emph{capability processes}, i.e. production processes referencing abstract descriptions of resource functions. These capability processes are not bound to a certain plant layout, as there can be multiple resources fulfilling the same capability. For execution, every capability in a capability process is replaced by a skill realizing it, effectively creating a \emph{skill process} consisting of various skill invocations. The presented solution is capable of orchestrating and executing complex processes that integrate production steps with typical IT functionalities such as error handling, user interactions and notifications. Benefits of the approach are demonstrated using a flexible manufacturing system.

We introduce a new distortion measure for point processes called functional-covering distortion. It is inspired by intensity theory and is related to both the covering of point processes and logarithmic loss distortion. We obtain the distortion-rate function with feedforward under this distortion measure for a large class of point processes. For Poisson processes, the rate-distortion function is obtained under a general condition called constrained functional-covering distortion, of which both covering and functional-covering are special cases. Also for Poisson processes, we characterize the rate-distortion region for a two-encoder CEO problem and show that feedforward does not enlarge this region.

Community detection refers to the problem of clustering the nodes of a network into groups. Existing inferential methods for community structure mainly focus on unweighted (binary) networks. Many real-world networks are nonetheless weighted and a common practice is to dichotomize a weighted network to an unweighted one which is known to result in information loss. Literature on hypothesis testing in the latter situation is still missing. In this paper, we study the problem of testing the existence of community structure in weighted networks. Our contributions are threefold: (a). We use the (possibly infinite-dimensional) exponential family to model the weights and derive the sharp information-theoretic limit for the existence of consistent test. Within the limit, any test is inconsistent; and beyond the limit, we propose a useful consistent test. (b). Based on the information-theoretic limits, we provide the first formal way to quantify the loss of information incurred by dichotomizing weighted graphs into unweighted graphs in the context of hypothesis testing. (c). We propose several new and practically useful test statistics. Simulation study show that the proposed tests have good performance. Finally, we apply the proposed tests to an animal social network.

Bayesian policy reuse (BPR) is a general policy transfer framework for selecting a source policy from an offline library by inferring the task belief based on some observation signals and a trained observation model. In this paper, we propose an improved BPR method to achieve more efficient policy transfer in deep reinforcement learning (DRL). First, most BPR algorithms use the episodic return as the observation signal that contains limited information and cannot be obtained until the end of an episode. Instead, we employ the state transition sample, which is informative and instantaneous, as the observation signal for faster and more accurate task inference. Second, BPR algorithms usually require numerous samples to estimate the probability distribution of the tabular-based observation model, which may be expensive and even infeasible to learn and maintain, especially when using the state transition sample as the signal. Hence, we propose a scalable observation model based on fitting state transition functions of source tasks from only a small number of samples, which can generalize to any signals observed in the target task. Moreover, we extend the offline-mode BPR to the continual learning setting by expanding the scalable observation model in a plug-and-play fashion, which can avoid negative transfer when faced with new unknown tasks. Experimental results show that our method can consistently facilitate faster and more efficient policy transfer.

We present a data-efficient framework for solving sequential decision-making problems which exploits the combination of reinforcement learning (RL) and latent variable generative models. The framework, called GenRL, trains deep policies by introducing an action latent variable such that the feed-forward policy search can be divided into two parts: (i) training a sub-policy that outputs a distribution over the action latent variable given a state of the system, and (ii) unsupervised training of a generative model that outputs a sequence of motor actions conditioned on the latent action variable. GenRL enables safe exploration and alleviates the data-inefficiency problem as it exploits prior knowledge about valid sequences of motor actions. Moreover, we provide a set of measures for evaluation of generative models such that we are able to predict the performance of the RL policy training prior to the actual training on a physical robot. We experimentally determine the characteristics of generative models that have most influence on the performance of the final policy training on two robotics tasks: shooting a hockey puck and throwing a basketball. Furthermore, we empirically demonstrate that GenRL is the only method which can safely and efficiently solve the robotics tasks compared to two state-of-the-art RL methods.

Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from rapid virtual screening to detailed free energy calculations. Traditionally, MM potentials have relied on human-curated, inflexible, and poorly extensible discrete chemical perception rules or applying parameters to small molecules or biopolymers, making it difficult to optimize both types and parameters to fit quantum chemical or physical property data. Here, we propose an alternative approach that uses graph neural networks to perceive chemical environments, producing continuous atom embeddings from which valence and nonbonded parameters can be predicted using invariance-preserving layers. Since all stages are built from smooth neural functions, the entire process is modular and end-to-end differentiable with respect to model parameters, allowing new force fields to be easily constructed, extended, and applied to arbitrary molecules. We show that this approach is not only sufficiently expressive to reproduce legacy atom types, but that it can learn to accurately reproduce and extend existing molecular mechanics force fields. Trained with arbitrary loss functions, it can construct entirely new force fields self-consistently applicable to both biopolymers and small molecules directly from quantum chemical calculations, with superior fidelity than traditional atom or parameter typing schemes. When trained on the same quantum chemical small molecule dataset used to parameterize the openff-1.2.0 small molecule force field augmented with a peptide dataset, the resulting espaloma model shows superior accuracy vis-\`a-vis experiments in computing relative alchemical free energy calculations for a popular benchmark set.

We provide a decision theoretic analysis of bandit experiments. The setting corresponds to a dynamic programming problem, but solving this directly is typically infeasible. Working within the framework of diffusion asymptotics, we define suitable notions of asymptotic Bayes and minimax risk for bandit experiments. For normally distributed rewards, the minimal Bayes risk can be characterized as the solution to a nonlinear second-order partial differential equation (PDE). Using a limit of experiments approach, we show that this PDE characterization also holds asymptotically under both parametric and non-parametric distribution of the rewards. The approach further describes the state variables it is asymptotically sufficient to restrict attention to, and therefore suggests a practical strategy for dimension reduction. The upshot is that we can approximate the dynamic programming problem defining the bandit experiment with a PDE which can be efficiently solved using sparse matrix routines. We derive the optimal Bayes and minimax policies from the numerical solutions to these equations. The proposed policies substantially dominate existing methods such as Thompson sampling. The framework also allows for substantial generalizations to the bandit problem such as time discounting and pure exploration motives.

Recent advancements in location-aware analytics have created novel opportunities in different domains. In the area of process mining, enriching process models with geolocation helps to gain a better understanding of how the process activities are executed in practice. In this paper, we introduce our idea of geo-enabled process modeling and report on our industrial experience. To this end, we present a real-world case study to describe the importance of considering the location in process mining. Then we discuss the shortcomings of currently available process mining tools and propose our novel approach for modeling geo-enabled processes focusing on 1) increasing process interpretability through geo-visualization, 2) incorporating location-related metadata into process analysis, and 3) using location-based measures for the assessment of process performance. Finally, we conclude the paper by future research directions.

Designers reportedly struggle with design optimization tasks where they are asked to find a combination of design parameters that maximizes a given set of objectives. In HCI, design optimization problems are often exceedingly complex, involving multiple objectives and expensive empirical evaluations. Model-based computational design algorithms assist designers by generating design examples during design, however they assume a model of the interaction domain. Black box methods for assistance, on the other hand, can work with any design problem. However, virtually all empirical studies of this human-in-the-loop approach have been carried out by either researchers or end-users. The question stands out if such methods can help designers in realistic tasks. In this paper, we study Bayesian optimization as an algorithmic method to guide the design optimization process. It operates by proposing to a designer which design candidate to try next, given previous observations. We report observations from a comparative study with 40 novice designers who were tasked to optimize a complex 3D touch interaction technique. The optimizer helped designers explore larger proportions of the design space and arrive at a better solution, however they reported lower agency and expressiveness. Designers guided by an optimizer reported lower mental effort but also felt less creative and less in charge of the progress. We conclude that human-in-the-loop optimization can support novice designers in cases where agency is not critical.