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Simulation Intelligence: Towards a New Generation of Scientific Methods

arXiv.org Artificial Intelligence

The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science.


Modelling and Optimisation of Resource Usage in an IoT Enabled Smart Campus

arXiv.org Artificial Intelligence

University campuses are essentially a microcosm of a city. They comprise diverse facilities such as residences, sport centres, lecture theatres, parking spaces, and public transport stops. Universities are under constant pressure to improve efficiencies while offering a better experience to various stakeholders including students, staff, and visitors. Nonetheless, anecdotal evidence indicates that campus assets are not being utilised efficiently, often due to the lack of data collection and analysis, thereby limiting the ability to make informed decisions on the allocation and management of resources. Advances in the Internet of Things (IoT) technologies that can sense and communicate data from the physical world, coupled with data analytics and Artificial intelligence (AI) that can predict usage patterns, have opened up new opportunities for organisations to lower cost and improve user experience. This thesis explores this opportunity via theory and experimentation using UNSW Sydney as a living laboratory.


Randomized Algorithms for Scientific Computing (RASC)

arXiv.org Artificial Intelligence

Randomized algorithms have propelled advances in artificial intelligence and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. This report summarizes the outcomes of that workshop, "Randomized Algorithms for Scientific Computing (RASC)," held virtually across four days in December 2020 and January 2021.


Patterns, predictions, and actions: A story about machine learning

arXiv.org Machine Learning

This graduate textbook on machine learning tells a story of how patterns in data support predictions and consequential actions. Starting with the foundations of decision making, we cover representation, optimization, and generalization as the constituents of supervised learning. A chapter on datasets as benchmarks examines their histories and scientific bases. Self-contained introductions to causality, the practice of causal inference, sequential decision making, and reinforcement learning equip the reader with concepts and tools to reason about actions and their consequences. Throughout, the text discusses historical context and societal impact. We invite readers from all backgrounds; some experience with probability, calculus, and linear algebra suffices.


Cross entropy cost function in machine learning

#artificialintelligence

And since we now have probabilities we can calculate the Cross Entropy as we have reviewed earlier.


Artificial Intelligence for Social Good: A Survey

arXiv.org Artificial Intelligence

Its impact is drastic and real: Youtube's AIdriven recommendation system would present sports videos for days if one happens to watch a live baseball game on the platform [1]; email writing becomes much faster with machine learning (ML) based auto-completion [2]; many businesses have adopted natural language processing based chatbots as part of their customer services [3]. AI has also greatly advanced human capabilities in complex decision-making processes ranging from determining how to allocate security resources to protect airports [4] to games such as poker [5] and Go [6]. All such tangible and stunning progress suggests that an "AI summer" is happening. As some put it, "AI is the new electricity" [7]. Meanwhile, in the past decade, an emerging theme in the AI research community is the so-called "AI for social good" (AI4SG): researchers aim at developing AI methods and tools to address problems at the societal level and improve the wellbeing of the society.


Advances and Open Problems in Federated Learning

arXiv.org Machine Learning

Federated learning (FL) is a machine learning setting where many clients (e.g. mobile devices or whole organizations) collaboratively train a model under the orchestration of a central server (e.g. service provider), while keeping the training data decentralized. FL embodies the principles of focused data collection and minimization, and can mitigate many of the systemic privacy risks and costs resulting from traditional, centralized machine learning and data science approaches. Motivated by the explosive growth in FL research, this paper discusses recent advances and presents an extensive collection of open problems and challenges.


Reasoning-Driven Question-Answering for Natural Language Understanding

arXiv.org Artificial Intelligence

Natural language understanding (NLU) of text is a fundamental challenge in AI, and it has received significant attention throughout the history of NLP research. This primary goal has been studied under different tasks, such as Question Answering (QA) and Textual Entailment (TE). In this thesis, we investigate the NLU problem through the QA task and focus on the aspects that make it a challenge for the current state-of-the-art technology. This thesis is organized into three main parts: In the first part, we explore multiple formalisms to improve existing machine comprehension systems. We propose a formulation for abductive reasoning in natural language and show its effectiveness, especially in domains with limited training data. Additionally, to help reasoning systems cope with irrelevant or redundant information, we create a supervised approach to learn and detect the essential terms in questions. In the second part, we propose two new challenge datasets. In particular, we create two datasets of natural language questions where (i) the first one requires reasoning over multiple sentences; (ii) the second one requires temporal common sense reasoning. We hope that the two proposed datasets will motivate the field to address more complex problems. In the final part, we present the first formal framework for multi-step reasoning algorithms, in the presence of a few important properties of language use, such as incompleteness, ambiguity, etc. We apply this framework to prove fundamental limitations for reasoning algorithms. These theoretical results provide extra intuition into the existing empirical evidence in the field.


Artificial Intelligence : from Research to Application ; the Upper-Rhine Artificial Intelligence Symposium (UR-AI 2019)

arXiv.org Artificial Intelligence

The TriRhenaTech alliance universities and their partners presented their competences in the field of artificial intelligence and their cross-border cooperations with the industry at the tri-national conference 'Artificial Intelligence : from Research to Application' on March 13th, 2019 in Offenburg. The TriRhenaTech alliance is a network of universities in the Upper Rhine Trinational Metropolitan Region comprising of the German universities of applied sciences in Furtwangen, Kaiserslautern, Karlsruhe, and Offenburg, the Baden-Wuerttemberg Cooperative State University Loerrach, the French university network Alsace Tech (comprised of 14 'grandes \'ecoles' in the fields of engineering, architecture and management) and the University of Applied Sciences and Arts Northwestern Switzerland. The alliance's common goal is to reinforce the transfer of knowledge, research, and technology, as well as the cross-border mobility of students.


A Bayesian Perspective of Statistical Machine Learning for Big Data

arXiv.org Machine Learning

Statistical Machine Learning (SML) refers to a body of algorithms and methods by which computers are allowed to discover important features of input data sets which are often very large in size. The very task of feature discovery from data is essentially the meaning of the keyword `learning' in SML. Theoretical justifications for the effectiveness of the SML algorithms are underpinned by sound principles from different disciplines, such as Computer Science and Statistics. The theoretical underpinnings particularly justified by statistical inference methods are together termed as statistical learning theory. This paper provides a review of SML from a Bayesian decision theoretic point of view -- where we argue that many SML techniques are closely connected to making inference by using the so called Bayesian paradigm. We discuss many important SML techniques such as supervised and unsupervised learning, deep learning, online learning and Gaussian processes especially in the context of very large data sets where these are often employed. We present a dictionary which maps the key concepts of SML from Computer Science and Statistics. We illustrate the SML techniques with three moderately large data sets where we also discuss many practical implementation issues. Thus the review is especially targeted at statisticians and computer scientists who are aspiring to understand and apply SML for moderately large to big data sets.