Machine learning and the physical sciences

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on the interface between machine learning and physical sciences. This includes conceptual developments in machine learning (ML) motivated by physical insights, applications of machine learning techniques to several domains in physics, and cross-fertilization between the two fields. After giving basic notion of machine learning methods and principles, we describe examples of how statistical physics is used to understand methods in ML. We then move to describe applications of ML methods in particle physics and cosmology, quantum many body physics, quantum computing, and chemical and material physics. We also highlight research and development into novel computing architectures aimed at accelerating ML. In each of the sections we describe recent successes as well as domain-specific methodology and challenges

Design and semantics of form and movement (DeSForM 2006)

Design and Semantics of Form and Movement (DeSForM) grew from applied research exploring emerging design methods and practices to support new generation product and interface design. The products and interfaces are concerned with: the context of ubiquitous computing and ambient technologies and the need for greater empathy in the pre-programmed behaviour of the ‘machines’ that populate our lives. Such explorative research in the CfDR has been led by Young, supported by Kyffin, Visiting Professor from Philips Design and sponsored by Philips Design over a period of four years (research funding £87k). DeSForM1 was the first of a series of three conferences that enable the presentation and debate of international work within this field: • 1st European conference on Design and Semantics of Form and Movement (DeSForM1), Baltic, Gateshead, 2005, Feijs L., Kyffin S. & Young R.A. eds. • 2nd European conference on Design and Semantics of Form and Movement (DeSForM2), Evoluon, Eindhoven, 2006, Feijs L., Kyffin S. & Young R.A. eds. • 3rd European conference on Design and Semantics of Form and Movement (DeSForM3), New Design School Building, Newcastle, 2007, Feijs L., Kyffin S. & Young R.A. eds. Philips sponsorship of practice-based enquiry led to research by three teams of research students over three years and on-going sponsorship of research through the Northumbria University Design and Innovation Laboratory (nuDIL). Young has been invited on the steering panel of the UK Thinking Digital Conference concerning the latest developments in digital and media technologies. Informed by this research is the work of PhD student Yukie Nakano who examines new technologies in relation to eco-design textiles

Milk Advertising, Vending Machine Purchases, and Their Health Implications

The United States of America is facing a disease – obesity. In order to combat or attempt to combat this problem, studying specific food groups and who consumes them and why is of upmost importance. This series of papers addresses the ‘why’ and ‘who’ of consumption for two industries: fluid milk and vending machine. Each industry will be analyzed using demand analysis methods to answer questions regarding what influences consumption of goods within these two industries. The fluid milk industry has four fluid milk types, differentiated by milk fat percentage. Advertising strategies focus on generic fluid milk consumption rather than specific fluid milk types. Understanding how generic milk advertising affects specific milk type consumption is necessary to see if advertising improvements can be made. The fluid milk industry data are in time series format and complete (QUAIDS and Barten Synthetic) and incomplete demand systems are used to understand various relationships among prices, income, seasonality, and generic advertising. The incorporation of a polynomial distributed lag advertising variable in each demand model specification shows that generic milk advertising affects fluid milk type consumption differently. Compensated elasticities show that low-fat milk and skim milk and whole milk and skim milk are substitutes. Income elasticities show that each fluid milk type is a normal good. Catering advertising efforts towards specific milk type consumption may result in higher sales as long-term advertising affects milk type consumption differently. Further, Government programs separate milk types in regards to what qualifies for specific types of food assistance programs. If the fluid milk industry caters to such separation, fluid milk consumption, particularly whole milk, may increase. The vending machine industry is an easy access provider of snacks and sodas. The vending machine industry is analyzed with cross-sectional data over a four year period from 2009 to 2012. With these data we analyze household characteristics that influence the decision to purchase from a vending machine through the use of a Tobit model and a probit model. We examine how socio-demographic characteristics and other purchasing habits affect vending machine purchases both through conditional and unconditional effects and likelihoods. Results indicate that socio-demographic characteristics significantly affect whether or not a purchase is made from a vending machine. Further, other purchasing habits, such as food away from home, chips and colas for at home consumption, and tobacco products positively and significantly affect a household’s vending machine purchases. Perhaps offering a larger variety of goods will attract a larger consumer base. With the combination of the industries and methods, we are able to answer several questions and provide policy recommendations in regard to marketing strategies that target consumption habits. Further, we add to the current literature through both theoretical and applicable contributions

Grid-based methods for chemistry simulations on a quantum computer

First-quantized, grid-based methods for chemistry modeling are a natural and elegant fit for quantum computers. However, it is infeasible to use today’s quantum prototypes to explore the power of this approach because it requires a substantial number of near-perfect qubits. Here, we use exactly emulated quantum computers with up to 36 qubits to execute deep yet resource-frugal algorithms that model 2D and 3D atoms with single and paired particles. A range of tasks is explored, from ground state preparation and energy estimation to the dynamics of scattering and ionization; we evaluate various methods within the split-operator QFT (SO-QFT) Hamiltonian simulation paradigm, including protocols previously described in theoretical papers and our own techniques. While we identify certain restrictions and caveats, generally, the grid-based method is found to perform very well; our results are consistent with the view that first-quantized paradigms will be dominant from the early fault-tolerant quantum computing era onward

Online Non-linear Prediction of Financial Time Series Patterns

We consider a mechanistic non-linear machine learning approach to learning signals in financial time series data. A modularised and decoupled algorithm framework is established and is proven on daily sampled closing time-series data for JSE equity markets. The input patterns are based on input data vectors of data windows preprocessed into a sequence of daily, weekly and monthly or quarterly sampled feature measurement changes (log feature fluctuations). The data processing is split into a batch processed step where features are learnt using a Stacked AutoEncoder (SAE) via unsupervised learning, and then both batch and online supervised learning are carried out on Feedforward Neural Networks (FNNs) using these features. The FNN output is a point prediction of measured time-series feature fluctuations (log differenced data) in the future (ex-post). Weight initializations for these networks are implemented with restricted Boltzmann machine pretraining, and variance based initializations. The validity of the FNN backtest results are shown under a rigorous assessment of backtest overfitting using both Combinatorially Symmetrical Cross Validation and Probabilistic and Deflated Sharpe Ratios. Results are further used to develop a view on the phenomenology of financial markets and the value of complex historical data under unstable dynamics

Simulation Intelligence: Towards a New Generation of Scientific Methods

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