8,150 research outputs found
Machine-learning detection of the Berezinskii-Kosterlitz-Thouless transition and the second-order phase transition in the XXZ models
We propose two machine-learning methods based on neural networks, which we
respectively call the phase-classification method and the
temperature-identification method, for detecting different types of phase
transitions in the XXZ models without prior knowledge of their critical
temperatures. The XXZ models have exchange couplings which are anisotropic in
the spin space where the strength is represented by a parameter .
The models exhibit the second-order phase transition when , whereas
the Berezinskii-Kosterlitz-Thouless (BKT) phase transition when . In
the phase-classification method, the neural network is trained using spin or
vortex configurations of well-known classical spin models other than the XXZ
models, e.g., the Ising models and the XY models, to classify those of the XXZ
models to corresponding phases. We demonstrate that the trained neural network
successfully detects the phase transitions for both and ,
and the evaluated critical temperatures coincide well with those evaluated by
conventional numerical calculations. In the temperature-identification method,
on the other hand, the neural network is trained so as to identify temperatures
at which the input spin or vortex configurations are generated by the Monte
Carlo thermalization. The critical temperatures are evaluated by analyzing the
optimized weight matrix, which coincide with the result of numerical
calculation for the second-order phase transition in the Ising-like XXZ model
with but cannot be determined uniquely for the BKT transition in
the XY-like XXZ model with .Comment: 17 pages, 12 figure
A Decision Support System for Economic Viability and Environmental Impact Assessment of Vertical Farms
Vertical farming (VF) is the practice of growing crops or animals using the vertical dimension via multi-tier racks or vertically inclined surfaces. In this thesis, I focus on the emerging industry of plant-specific VF. Vertical plant farming (VPF) is a promising and relatively novel practice that can be conducted in buildings with environmental control and artificial lighting. However, the nascent sector has experienced challenges in economic viability, standardisation, and environmental sustainability. Practitioners and academics call for a comprehensive financial analysis of VPF, but efforts are stifled by a lack of valid and available data.
A review of economic estimation and horticultural software identifies a need for a decision support system (DSS) that facilitates risk-empowered business planning for vertical farmers. This thesis proposes an open-source DSS framework to evaluate business sustainability through financial risk and environmental impact assessments. Data from the literature, alongside lessons learned from industry practitioners, would be centralised in the proposed DSS using imprecise data techniques. These techniques have been applied in engineering but are seldom used in financial forecasting. This could benefit complex sectors which only have scarce data to predict business viability.
To begin the execution of the DSS framework, VPF practitioners were interviewed using a mixed-methods approach. Learnings from over 19 shuttered and operational VPF projects provide insights into the barriers inhibiting scalability and identifying risks to form a risk taxonomy. Labour was the most commonly reported top challenge. Therefore, research was conducted to explore lean principles to improve productivity.
A probabilistic model representing a spectrum of variables and their associated uncertainty was built according to the DSS framework to evaluate the financial risk for VF projects. This enabled flexible computation without precise production or financial data to improve economic estimation accuracy. The model assessed two VPF cases (one in the UK and another in Japan), demonstrating the first risk and uncertainty quantification of VPF business models in the literature. The results highlighted measures to improve economic viability and the viability of the UK and Japan case.
The environmental impact assessment model was developed, allowing VPF operators to evaluate their carbon footprint compared to traditional agriculture using life-cycle assessment. I explore strategies for net-zero carbon production through sensitivity analysis. Renewable energies, especially solar, geothermal, and tidal power, show promise for reducing the carbon emissions of indoor VPF. Results show that renewably-powered VPF can reduce carbon emissions compared to field-based agriculture when considering the land-use change.
The drivers for DSS adoption have been researched, showing a pathway of compliance and design thinking to overcome the ‘problem of implementation’ and enable commercialisation. Further work is suggested to standardise VF equipment, collect benchmarking data, and characterise risks. This work will reduce risk and uncertainty and accelerate the sector’s emergence
Machine learning for managing structured and semi-structured data
As the digitalization of private, commercial, and public sectors advances rapidly, an increasing amount of data is becoming available. In order to gain insights or knowledge from these enormous amounts of raw data, a deep analysis is essential. The immense volume requires highly automated processes with minimal manual interaction. In recent years, machine learning methods have taken on a central role in this task. In addition to the individual data points, their interrelationships often play a decisive role, e.g. whether two patients are related to each other or whether they are treated by the same physician. Hence, relational learning is an important branch of research, which studies how to harness this explicitly available structural information between different data points. Recently, graph neural networks have gained importance. These can be considered an extension of convolutional neural networks from regular grids to general (irregular) graphs.
Knowledge graphs play an essential role in representing facts about entities in a machine-readable way. While great efforts are made to store as many facts as possible in these graphs, they often remain incomplete, i.e., true facts are missing. Manual verification and expansion of the graphs is becoming increasingly difficult due to the large volume of data and must therefore be assisted or substituted by automated procedures which predict missing facts. The field of knowledge graph completion can be roughly divided into two categories: Link Prediction and Entity Alignment. In Link Prediction, machine learning models are trained to predict unknown facts between entities based on the known facts. Entity Alignment aims at identifying shared entities between graphs in order to link several such knowledge graphs based on some provided seed alignment pairs.
In this thesis, we present important advances in the field of knowledge graph completion. For Entity Alignment, we show how to reduce the number of required seed alignments while maintaining performance by novel active learning techniques. We also discuss the power of textual features and show that graph-neural-network-based methods have difficulties with noisy alignment data. For Link Prediction, we demonstrate how to improve the prediction for unknown entities at training time by exploiting additional metadata on individual statements, often available in modern graphs. Supported with results from a large-scale experimental study, we present an analysis of the effect of individual components of machine learning models, e.g., the interaction function or loss criterion, on the task of link prediction. We also introduce a software library that simplifies the implementation and study of such components and makes them accessible to a wide research community, ranging from relational learning researchers to applied fields, such as life sciences. Finally, we propose a novel metric for evaluating ranking results, as used for both completion tasks. It allows for easier interpretation and comparison, especially in cases with different numbers of ranking candidates, as encountered in the de-facto standard evaluation protocols for both tasks.Mit der rasant fortschreitenden Digitalisierung des privaten, kommerziellen und öffentlichen Sektors werden immer größere Datenmengen verfügbar. Um aus diesen enormen Mengen an Rohdaten Erkenntnisse oder Wissen zu gewinnen, ist eine tiefgehende Analyse unerlässlich. Das immense Volumen erfordert hochautomatisierte Prozesse mit minimaler manueller Interaktion. In den letzten Jahren haben Methoden des maschinellen Lernens eine zentrale Rolle bei dieser Aufgabe eingenommen. Neben den einzelnen Datenpunkten spielen oft auch deren Zusammenhänge eine entscheidende Rolle, z.B. ob zwei Patienten miteinander verwandt sind oder ob sie vom selben Arzt behandelt werden. Daher ist das relationale Lernen ein wichtiger Forschungszweig, der untersucht, wie diese explizit verfügbaren strukturellen Informationen zwischen verschiedenen Datenpunkten nutzbar gemacht werden können. In letzter Zeit haben Graph Neural Networks an Bedeutung gewonnen. Diese können als eine Erweiterung von CNNs von regelmäßigen Gittern auf allgemeine (unregelmäßige) Graphen betrachtet werden.
Wissensgraphen spielen eine wesentliche Rolle bei der Darstellung von Fakten über Entitäten in maschinenlesbaren Form. Obwohl große Anstrengungen unternommen werden, so viele Fakten wie möglich in diesen Graphen zu speichern, bleiben sie oft unvollständig, d. h. es fehlen Fakten. Die manuelle Überprüfung und Erweiterung der Graphen wird aufgrund der großen Datenmengen immer schwieriger und muss daher durch automatisierte Verfahren unterstützt oder ersetzt werden, die fehlende Fakten vorhersagen. Das Gebiet der Wissensgraphenvervollständigung lässt sich grob in zwei Kategorien einteilen: Link Prediction und Entity Alignment. Bei der Link Prediction werden maschinelle Lernmodelle trainiert, um unbekannte Fakten zwischen Entitäten auf der Grundlage der bekannten Fakten vorherzusagen. Entity Alignment zielt darauf ab, gemeinsame Entitäten zwischen Graphen zu identifizieren, um mehrere solcher Wissensgraphen auf der Grundlage einiger vorgegebener Paare zu verknüpfen.
In dieser Arbeit stellen wir wichtige Fortschritte auf dem Gebiet der Vervollständigung von Wissensgraphen vor. Für das Entity Alignment zeigen wir, wie die Anzahl der benötigten Paare reduziert werden kann, während die Leistung durch neuartige aktive Lerntechniken erhalten bleibt. Wir erörtern auch die Leistungsfähigkeit von Textmerkmalen und zeigen, dass auf Graph-Neural-Networks basierende Methoden Schwierigkeiten mit verrauschten Paar-Daten haben. Für die Link Prediction demonstrieren wir, wie die Vorhersage für unbekannte Entitäten zur Trainingszeit verbessert werden kann, indem zusätzliche Metadaten zu einzelnen Aussagen genutzt werden, die oft in modernen Graphen verfügbar sind. Gestützt auf Ergebnisse einer groß angelegten experimentellen Studie präsentieren wir eine Analyse der Auswirkungen einzelner Komponenten von Modellen des maschinellen Lernens, z. B. der Interaktionsfunktion oder des Verlustkriteriums, auf die Aufgabe der Link Prediction. Außerdem stellen wir eine Softwarebibliothek vor, die die Implementierung und Untersuchung solcher Komponenten vereinfacht und sie einer breiten Forschungsgemeinschaft zugänglich macht, die von Forschern im Bereich des relationalen Lernens bis hin zu angewandten Bereichen wie den Biowissenschaften reicht. Schließlich schlagen wir eine neuartige Metrik für die Bewertung von Ranking-Ergebnissen vor, wie sie für beide Aufgaben verwendet wird. Sie ermöglicht eine einfachere Interpretation und einen leichteren Vergleich, insbesondere in Fällen mit einer unterschiedlichen Anzahl von Kandidaten, wie sie in den de-facto Standardbewertungsprotokollen für beide Aufgaben vorkommen
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Reliable Decision-Making with Imprecise Models
The rapid growth in the deployment of autonomous systems across various sectors has generated considerable interest in how these systems can operate reliably in large, stochastic, and unstructured environments. Despite recent advances in artificial intelligence and machine learning, it is challenging to assure that autonomous systems will operate reliably in the open world. One of the causes of unreliable behavior is the impreciseness of the model used for decision-making. Due to the practical challenges in data collection and precise model specification, autonomous systems often operate based on models that do not represent all the details in the environment. Even if the system has access to a comprehensive decision-making model that accounts for all the details in the environment and all possible scenarios the agent may encounter, it may be intractable to solve this complex model optimally. Consequently, this complex, high fidelity model may be simplified to accelerate planning, introducing imprecision. Reasoning with such imprecise models affects the reliability of autonomous systems. A system\u27s actions may sometimes produce unexpected, undesirable consequences, which are often identified after deployment. How can we design autonomous systems that can operate reliably in the presence of uncertainty and model imprecision?
This dissertation presents solutions to address three classes of model imprecision in a Markov decision process, along with an analysis of the conditions under which bounded-performance can be guaranteed. First, an adaptive outcome selection approach is introduced to devise risk-aware reduced models of the environment that efficiently balance the trade-off between model simplicity and fidelity, to accelerate planning in resource-constrained settings. Second, a framework that extends stochastic shortest path framework to problems with imperfect information about the goal state during planning is introduced, along with two solution approaches to solve this problem. Finally, two complementary solution approaches are presented to minimize the negative side effects of agent actions. The techniques presented in this dissertation enable an autonomous system to detect and mitigate undesirable behavior, without redesigning the model entirely
When does SGD favor flat minima? A quantitative characterization via linear stability
The observation that stochastic gradient descent (SGD) favors flat minima has
played a fundamental role in understanding implicit regularization of SGD and
guiding the tuning of hyperparameters. In this paper, we provide a quantitative
explanation of this striking phenomenon by relating the particular noise
structure of SGD to its \emph{linear stability} (Wu et al., 2018).
Specifically, we consider training over-parameterized models with square loss.
We prove that if a global minimum is linearly stable for SGD, then
it must satisfy , where
denote the Frobenius norm of Hessian at ,
batch size, and learning rate, respectively. Otherwise, SGD will escape from
that minimum \emph{exponentially} fast. Hence, for minima accessible to SGD,
the flatness -- as measured by the Frobenius norm of the Hessian -- is bounded
independently of the model size and sample size. The key to obtaining these
results is exploiting the particular geometry awareness of SGD noise: 1) the
noise magnitude is proportional to loss value; 2) the noise directions
concentrate in the sharp directions of local landscape. This property of SGD
noise provably holds for linear networks and random feature models (RFMs) and
is empirically verified for nonlinear networks. Moreover, the validity and
practical relevance of our theoretical findings are justified by extensive
numerical experiments
Optimisation of the SHiP Beam Dump Facility with generative surrogate models
The SHiP experiment is a proposed fixed target experiment at the CERN SPS to search for new particles. To operate optimally, the experiment should feature a zero background environment. The residual muons flying from the target are one of the largest sources of the background. To remove them from the detector acceptance, a dedicated muon shield magnet is introduced in the experiment. The shield should be optimised to deliver the best physics performance at the lowest cost.
The optimisation procedure is very computationally costly and, thus, requires ded- icated methods. This thesis comprises of a detailed description of a new machine learning method for the optimisation, comparisons to existing techniques, and the application of the method to optimising the muon shield magnet. In addition, the set of technological and simulation problems affecting the optimisation is discussed in details. Finally, the set of requirements for the muon shield prototype design and verification is presented.Open Acces
Mathematical and data-driven modelling of glucose homeostasis system to understand diabetes pathways
Optimización del rendimiento y la eficiencia energética en sistemas masivamente paralelos
RESUMEN Los sistemas heterogéneos son cada vez más relevantes, debido a sus capacidades de rendimiento y eficiencia energética, estando presentes en todo tipo de plataformas de cómputo, desde dispositivos embebidos y servidores, hasta nodos HPC de grandes centros de datos. Su complejidad hace que sean habitualmente usados bajo el paradigma de tareas y el modelo de programación host-device. Esto penaliza fuertemente el aprovechamiento de los aceleradores y el consumo energético del sistema, además de dificultar la adaptación de las aplicaciones.
La co-ejecución permite que todos los dispositivos cooperen para computar el mismo problema, consumiendo menos tiempo y energÃa. No obstante, los programadores deben encargarse de toda la gestión de los dispositivos, la distribución de la carga y la portabilidad del código entre sistemas, complicando notablemente su programación.
Esta tesis ofrece contribuciones para mejorar el rendimiento y la eficiencia energética en estos sistemas masivamente paralelos. Se realizan propuestas que abordan objetivos generalmente contrapuestos: se mejora la usabilidad y la programabilidad, a la vez que se garantiza una mayor abstracción y extensibilidad del sistema, y al mismo tiempo se aumenta el rendimiento, la escalabilidad y la eficiencia energética. Para ello, se proponen dos motores de ejecución con enfoques completamente distintos.
EngineCL, centrado en OpenCL y con una API de alto nivel, favorece la máxima compatibilidad entre todo tipo de dispositivos y proporciona un sistema modular extensible. Su versatilidad permite adaptarlo a entornos para los que no fue concebido, como aplicaciones con ejecuciones restringidas por tiempo o simuladores HPC de dinámica molecular, como el utilizado en un centro de investigación internacional.
Considerando las tendencias industriales y enfatizando la aplicabilidad profesional, CoexecutorRuntime proporciona un sistema flexible centrado en C++/SYCL que dota de soporte a la co-ejecución a la tecnologÃa oneAPI. Este runtime acerca a los programadores al dominio del problema, posibilitando la explotación de estrategias dinámicas adaptativas que mejoran la eficiencia en todo tipo de aplicaciones.ABSTRACT Heterogeneous systems are becoming increasingly relevant, due to their performance and energy efficiency capabilities, being present in all types of computing platforms, from embedded devices and servers to HPC nodes in large data centers. Their complexity implies that they are usually used under the task paradigm and the host-device programming model. This strongly penalizes accelerator utilization and system energy consumption, as well as making it difficult to adapt applications.
Co-execution allows all devices to simultaneously compute the same problem, cooperating to consume less time and energy. However, programmers must handle all device management, workload distribution and code portability between systems, significantly complicating their programming.
This thesis offers contributions to improve performance and energy efficiency in these massively parallel systems. The proposals address the following generally conflicting objectives: usability and programmability are improved, while ensuring enhanced system abstraction and extensibility, and at the same time performance, scalability and energy efficiency are increased. To achieve this, two runtime systems with completely different approaches are proposed.
EngineCL, focused on OpenCL and with a high-level API, provides an extensible modular system and favors maximum compatibility between all types of devices. Its versatility allows it to be adapted to environments for which it was not originally designed, including applications with time-constrained executions or molecular dynamics HPC simulators, such as the one used in an international research center.
Considering industrial trends and emphasizing professional applicability, CoexecutorRuntime provides a flexible C++/SYCL-based system that provides co-execution support for oneAPI technology. This runtime brings programmers closer to the problem domain, enabling the exploitation of dynamic adaptive strategies that improve efficiency in all types of applications.Funding: This PhD has been supported by the Spanish Ministry of Education (FPU16/03299 grant),
the Spanish Science and Technology Commission under contracts TIN2016-76635-C2-2-R
and PID2019-105660RB-C22.
This work has also been partially supported by the Mont-Blanc 3: European Scalable and
Power Efficient HPC Platform based on Low-Power Embedded Technology project (G.A. No.
671697) from the European Union’s Horizon 2020 Research and Innovation Programme
(H2020 Programme). Some activities have also been funded by the Spanish Science and Technology
Commission under contract TIN2016-81840-REDT (CAPAP-H6 network).
The Integration II: Hybrid programming models of Chapter 4 has been partially performed
under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC
Research Innovation Action under the H2020 Programme. In particular, the author gratefully
acknowledges the support of the SPMT Department of the High Performance Computing
Center Stuttgart (HLRS)
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