146,255 research outputs found
Neural-Network Quantum States, String-Bond States, and Chiral Topological States
Neural-Network Quantum States have been recently introduced as an Ansatz for
describing the wave function of quantum many-body systems. We show that there
are strong connections between Neural-Network Quantum States in the form of
Restricted Boltzmann Machines and some classes of Tensor-Network states in
arbitrary dimensions. In particular we demonstrate that short-range Restricted
Boltzmann Machines are Entangled Plaquette States, while fully connected
Restricted Boltzmann Machines are String-Bond States with a nonlocal geometry
and low bond dimension. These results shed light on the underlying architecture
of Restricted Boltzmann Machines and their efficiency at representing many-body
quantum states. String-Bond States also provide a generic way of enhancing the
power of Neural-Network Quantum States and a natural generalization to systems
with larger local Hilbert space. We compare the advantages and drawbacks of
these different classes of states and present a method to combine them
together. This allows us to benefit from both the entanglement structure of
Tensor Networks and the efficiency of Neural-Network Quantum States into a
single Ansatz capable of targeting the wave function of strongly correlated
systems. While it remains a challenge to describe states with chiral
topological order using traditional Tensor Networks, we show that
Neural-Network Quantum States and their String-Bond States extension can
describe a lattice Fractional Quantum Hall state exactly. In addition, we
provide numerical evidence that Neural-Network Quantum States can approximate a
chiral spin liquid with better accuracy than Entangled Plaquette States and
local String-Bond States. Our results demonstrate the efficiency of neural
networks to describe complex quantum wave functions and pave the way towards
the use of String-Bond States as a tool in more traditional machine-learning
applications.Comment: 15 pages, 7 figure
AFLOW-ML: A RESTful API for machine-learning predictions of materials properties
Machine learning approaches, enabled by the emergence of comprehensive
databases of materials properties, are becoming a fruitful direction for
materials analysis. As a result, a plethora of models have been constructed and
trained on existing data to predict properties of new systems. These powerful
methods allow researchers to target studies only at interesting materials
\unicode{x2014} neglecting the non-synthesizable systems and those without
the desired properties \unicode{x2014} thus reducing the amount of resources
spent on expensive computations and/or time-consuming experimental synthesis.
However, using these predictive models is not always straightforward. Often,
they require a panoply of technical expertise, creating barriers for general
users. AFLOW-ML (AFLOW achine
earning) overcomes the problem by streamlining the use
of the machine learning methods developed within the AFLOW consortium. The
framework provides an open RESTful API to directly access the continuously
updated algorithms, which can be transparently integrated into any workflow to
retrieve predictions of electronic, thermal and mechanical properties. These
types of interconnected cloud-based applications are envisioned to be capable
of further accelerating the adoption of machine learning methods into materials
development.Comment: 10 pages, 2 figure
String and Membrane Gaussian Processes
In this paper we introduce a novel framework for making exact nonparametric
Bayesian inference on latent functions, that is particularly suitable for Big
Data tasks. Firstly, we introduce a class of stochastic processes we refer to
as string Gaussian processes (string GPs), which are not to be mistaken for
Gaussian processes operating on text. We construct string GPs so that their
finite-dimensional marginals exhibit suitable local conditional independence
structures, which allow for scalable, distributed, and flexible nonparametric
Bayesian inference, without resorting to approximations, and while ensuring
some mild global regularity constraints. Furthermore, string GP priors
naturally cope with heterogeneous input data, and the gradient of the learned
latent function is readily available for explanatory analysis. Secondly, we
provide some theoretical results relating our approach to the standard GP
paradigm. In particular, we prove that some string GPs are Gaussian processes,
which provides a complementary global perspective on our framework. Finally, we
derive a scalable and distributed MCMC scheme for supervised learning tasks
under string GP priors. The proposed MCMC scheme has computational time
complexity and memory requirement , where
is the data size and the dimension of the input space. We illustrate the
efficacy of the proposed approach on several synthetic and real-world datasets,
including a dataset with millions input points and attributes.Comment: To appear in the Journal of Machine Learning Research (JMLR), Volume
1
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