Report on the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3)

This report records and discusses the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3). The report includes a description of the keynote presentation of the workshop, which served as an overview of sustainable scientific software. It also summarizes a set of lightning talks in which speakers highlighted to-the-point lessons and challenges pertaining to sustaining scientific software. The final and main contribution of the report is a summary of the discussions, future steps, and future organization for a set of self-organized working groups on topics including developing pathways to funding scientific software; constructing useful common metrics for crediting software stakeholders; identifying principles for sustainable software engineering design; reaching out to research software organizations around the world; and building communities for software sustainability. For each group, we include a point of contact and a landing page that can be used by those who want to join that group's future activities. The main challenge left by the workshop is to see if the groups will execute these activities that they have scheduled, and how the WSSSPE community can encourage this to happen

A simheuristic for routing electric vehicles with limited driving ranges and stochastic travel times

Green transportation is becoming relevant in the context of smart cities, where the use of electric vehicles represents a promising strategy to support sustainability policies. However the use of electric vehicles shows some drawbacks as well, such as their limited driving-range capacity. This paper analyses a realistic vehicle routing problem in which both driving-range constraints and stochastic travel times are considered. Thus, the main goal is to minimize the expected time-based cost required to complete the freight distribution plan. In order to design reliable Routing plans, a simheuristic algorithm is proposed. It combines Monte Carlo simulation with a multi-start metaheuristic, which also employs biased-randomization techniques. By including simulation, simheuristics extend the capabilities of metaheuristics to deal with stochastic problems. A series of computational experiments are performed to test our solving approach as well as to analyse the effect of uncertainty on the routing plans.Peer Reviewe

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

Rethinking theories of change in the light of enactive cognitive science: Contributions to community-scale local sustainability initiatives.

open access articleSocial innovation projects commonly refer to operationalized theories of change to inform strategy and to deliver intended outcomes. Community based sustainability campaigns, as one example, emphasize the elicitation of pro-environmental activities and decision-making among members of a host community, drawing on mainstream psychological theories of behaviour, motivation and cognitive (mental) processes. Locating an argument within the neurobiological base of structure determinism, this paper explores how theories of change for sustainability campaigns might be reimagined through the lens of enactive theory. Following a brief introduction to the enactive model of embodied cognition, implications associated with trying to operationalize the model to inform how theories of change are mapped out and used in sustainability initiatives are discussed. The paper concludes by drawing on insights from approaches to psychotherapy, which also endeavoured to apply this model of mind, and considers these within the strategic context of sustainability initiatives and public engagement

Uncertainty Analysis for Data-Driven Chance-Constrained Optimization

In this contribution our developed framework for data-driven chance-constrained optimization is extended with an uncertainty analysis module. The module quantifies uncertainty in output variables of rigorous simulations. It chooses the most accurate parametric continuous probability distribution model, minimizing deviation between model and data. A constraint is added to favour less complex models with a minimal required quality regarding the fit. The bases of the module are over 100 probability distribution models provided in the Scipy package in Python, a rigorous case-study is conducted selecting the four most relevant models for the application at hand. The applicability and precision of the uncertainty analyser module is investigated for an impact factor calculation in life cycle impact assessment to quantify the uncertainty in the results. Furthermore, the extended framework is verified with data from a first principle process model of a chloralkali plant, demonstrating the increased precision of the uncertainty description of the output variables, resulting in 25% increase in accuracy in the chance-constraint calculation.BMWi, 0350013A, ChemEFlex - Umsetzbarkeitsanalyse zur Lastflexibilisierung elektrochemischer Verfahren in der Industrie; Teilvorhaben: Modellierung der Chlor-Alkali-Elektrolyse sowie anderer Prozesse und deren Bewertung hinsichtlich Wirtschaftlichkeit und möglicher HemmnisseDFG, 414044773, Open Access Publizieren 2019 - 2020 / Technische Universität Berli

Spatial optimization for land use allocation: accounting for sustainability concerns

Land-use allocation has long been an important area of research in regional science. Land-use patterns are fundamental to the functions of the biosphere, creating interactions that have substantial impacts on the environment. The spatial arrangement of land uses therefore has implications for activity and travel within a region. Balancing development, economic growth, social interaction, and the protection of the natural environment is at the heart of long-term sustainability. Since land-use patterns are spatially explicit in nature, planning and management necessarily must integrate geographical information system and spatial optimization in meaningful ways if efficiency goals and objectives are to be achieved. This article reviews spatial optimization approaches that have been relied upon to support land-use planning. Characteristics of sustainable land use, particularly compactness, contiguity, and compatibility, are discussed and how spatial optimization techniques have addressed these characteristics are detailed. In particular, objectives and constraints in spatial optimization approaches are examined

Energy and Sustainability 2015

The 6th International Conference on Energy and Sustainability was held in Medellin, Colombia, organised by the Universidad Pontificia Bolivariana (UPB), Colombia and the Wessex Institute (WIT), UK

A stigmergy-based analysis of city hotspots to discover trends and anomalies in urban transportation usage

A key aspect of a sustainable urban transportation system is the effectiveness of transportation policies. To be effective, a policy has to consider a broad range of elements, such as pollution emission, traffic flow, and human mobility. Due to the complexity and variability of these elements in the urban area, to produce effective policies remains a very challenging task. With the introduction of the smart city paradigm, a widely available amount of data can be generated in the urban spaces. Such data can be a fundamental source of knowledge to improve policies because they can reflect the sustainability issues underlying the city. In this context, we propose an approach to exploit urban positioning data based on stigmergy, a bio-inspired mechanism providing scalar and temporal aggregation of samples. By employing stigmergy, samples in proximity with each other are aggregated into a functional structure called trail. The trail summarizes relevant dynamics in data and allows matching them, providing a measure of their similarity. Moreover, this mechanism can be specialized to unfold specific dynamics. Specifically, we identify high-density urban areas (i.e hotspots), analyze their activity over time, and unfold anomalies. Moreover, by matching activity patterns, a continuous measure of the dissimilarity with respect to the typical activity pattern is provided. This measure can be used by policy makers to evaluate the effect of policies and change them dynamically. As a case study, we analyze taxi trip data gathered in Manhattan from 2013 to 2015.Comment: Preprin

Multi-Entity Dependence Learning with Rich Context via Conditional Variational Auto-encoder

Multi-Entity Dependence Learning (MEDL) explores conditional correlations among multiple entities. The availability of rich contextual information requires a nimble learning scheme that tightly integrates with deep neural networks and has the ability to capture correlation structures among exponentially many outcomes. We propose MEDL_CVAE, which encodes a conditional multivariate distribution as a generating process. As a result, the variational lower bound of the joint likelihood can be optimized via a conditional variational auto-encoder and trained end-to-end on GPUs. Our MEDL_CVAE was motivated by two real-world applications in computational sustainability: one studies the spatial correlation among multiple bird species using the eBird data and the other models multi-dimensional landscape composition and human footprint in the Amazon rainforest with satellite images. We show that MEDL_CVAE captures rich dependency structures, scales better than previous methods, and further improves on the joint likelihood taking advantage of very large datasets that are beyond the capacity of previous methods.Comment: The first two authors contribute equall