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Metric Learning to Accelerate Convergence of Operator Splitting Methods

Recent developments in machine learning have led to promising advances in accelerating the solution of constrained optimization problems. Increasing demand for real-time decision-making capabilities in applications such as artificial intelligence and optimal control has led to a variety of proposed strategies for learning to produce fast solutions to optimization problems. For example, recent works have shown that it is possible to accelerate the convergence of optimization algorithms by learning to select their parameters, such as gradient descent stepsizes. This work proposes a new approach, in which the underlying metric spaces of proximal operator splitting algorithms are learned to maximize convergence rate. While prior works in optimization theory have derived optimal metrics in simple cases, no such result exists for many practical problem forms including general Quadratic Programming (QP). This paper shows how differentiable optimization can enable the end-to-end learning of proximal metrics, enhancing the convergence of proximal algorithms for QP problems beyond what is possible based on known theory. Additionally, the results illustrate a strong connection between the learned proximal metrics and active constraints at the optima, leading to an interpretation in which the predicted proximal metrics can be viewed as a form of active set prediction.

King, Ethan [BATTELLE (PACIFIC NW LAB)]↗

Stochastic projective splitting

Here, we present a new, stochastic variant of the projective splitting (PS) family of algorithms for inclusion problems involving the sum of any finite number of maximal monotone operators. This new variant uses a stochastic oracle to evaluate one of the operators, which is assumed to be Lipschitz continuous, and (deterministic) resolvents to process the remaining operators. Our proposal is the first version of PS with such stochastic capabilities. We envision the primary application being machine learning (ML) problems, with the method’s stochastic features facilitating “mini-batch” sampling of datasets. Since it uses a monotone operator formulation, the method can handle not only Lipschitz-smooth loss minimization, but also min–max and noncooperative game formulations, with better convergence properties than the gradient descent-ascent methods commonly applied in such settings. The proposed method can handle any number of constraints and nonsmooth regularizers via projection and proximal operators. We prove almost-sure convergence of the iterates to a solution and a convergence rate result for the expected residual, and close with numerical experiments on a distributionally robust sparse logistic regression problem.

97 MATHEMATICS AND COMPUTING↗

Towards chemical equilibrium in thermochemical water splitting. Part 1: Thermal reduction

The efficiency of many processes strongly depends on their thermodynamic reversibility, i.e., proximity to equilibrium throughout the process. In thermochemical cycles for water and/or carbon dioxide splitting, thermochemical air separation, and thermochemical energy storage, operating near equilibrium means that the oxygen chemical potential of the solid and gas phases must not differ significantly. Herein we show that approaching this ideal is possible in thermal reduction only if the reaction step occurs at a specific, reaction coordinate- and material-dependent temperature. The resulting thermal reduction temperature profile also depends on the ratio of gas and solid flows.

08 HYDROGEN↗

Neighbors on the Red Planet: Mars Science Laboratory Relay Coordination Post InSight Arrival

The Mars Science Laboratory (MSL) strategic communications planning toolset selects orbiter relay opportunities that the rover will use for transmitting data back to Earth. The toolset was extensively reworked in preparation for the Interior Exploration using Seismic Investigations, Geodesy and Heat Transport's (InSight) arrival at Mars in November 2018 and the regular use of Mars Atmosphere and Volatile Evolution (MAVEN) and Trace Gas Orbiter (TGO) orbiters as relay assets in addition to Mars Reconnaissance Orbiter (MRO) and 2001 Mars Odyssey (ODY). Overflight selection criteria was automated in the new toolset to take into account overflight deconfliction and down-selection as well as tactical timeline planning impacts and total data return. This was done while remaining flexible and configurable for changing mission priorities. As the Curiosity rover ages, the MSL planning team must overcome issues such as reduced budgets, memory bank anomalies, and reduced power availability. These are some examples of factors that affect the strategic communications planning toolset. In addition to adapting to evolving internal mission needs, the toolset must also be flexible to changes in the relay planning interface with other landers. The concept of shared relay or “split passes” was introduced when InSight began operating on Mars just 600 kilometers away and at the same longitude as MSL. This proximity meant that orbiters could now communicate with two landers during the same relay session. Over time, this new operational use-case became common practice as InSight and MSL settled into relay planning negotiations. Today, many TGO relay sessions are shared between MSL and InSight. As more orbiters pursue integrating this capability into nominal relay operations, and more landers arrive on Mars, the strategic communications process and toolsets increases in complexity. Development of a single tool that schedules relay sessions for all orbiters and landers simultaneously may become necessary as the number of Martian spacecraft increases. Examples of how toolset selection criteria and capabilities have helped or hindered MSL planning will be presented. Ongoing improvements to MSL toolsets and processes, as well as to shared relay tools such as Mars Relay Operations Service (MaROS) and General Telecom Predictor (GTP) are also discussed in this paper. Examples of how toolset selection criteria and capabilities have helped or hindered MSL planning will be presented. Ongoing improvements to MSL toolsets and processes, as well as to shared relay tools such as Mars Relay Operations Service (MaROS) and General Telecom Predictor (GTP) are also discussed in this paper.

Vandermey, Nancy↗

The Mars Reconnaissance Orbiter Mission: 2018 Status

The Mars Reconnaissance Orbiter (MRO) continues its dual-mode mission of scientific exploration and programmatic support. Now in its 13th year of flight (and its 12th year in its low-altitude, sun-synchronous orbit around Mars), the spacecraft continues in its normal flight mode and its science instruments continue to acquire a treasure trove of data which is being used to study the Martian environment (surface, sub-surface, and atmosphere). To date (July 2018), more than 333 TB of scientific data have been returned to Earth. Building onto the 2017 IAC paper: “The Mars Reconnaissance Orbiter Mission: Continuing a Record of Exploration from Mars Orbit,” [1] this paper provides a 2018 status update on the MRO Mission. A signature event since the 2017 writing is the onset and evolution of a planet-encircling dust event (PEDE), the first such event since 2007. Additional recent science highlights for MRO include the discovery of mid-latitude ice cliffs, polar cap characterization, daily global mapping of the 2018 PEDE dust activity and the atmospheric thermal response, further characterization of the tantalizing recurring slope lineae (RSL), and continued detection of surface changes. Programmatically, UHF relay support for the Mars Science Laboratory (MSL) rover Curiosity and the Mars Exploration Rover (MER) rover Opportunity continues at a pace that provides the engineers and scientists operating those surface vehicles timely information to support their mission planning and science analysis. Most of the landing site characterization requests for the NASA Mars 2020 rover and the ESA ExoMars Rover/Surface Platform (RSP) missions have been completed, with final acquisitions delayed due to the obscuring dust haze from the current PEDE. In parallel, the flight team has faced new engineering challenges as the spacecraft has aged. The team has developed and is implementing actions that are aimed at stretching spacecraft battery life. A new all-stellar capability using the spacecraft’s star trackers now allows for normal spacecraft operations without IMUs. In addition to its current relay duties, MRO will be synchronized to provide critical communications support for the InSight Entry, Descent, and Landing (EDL) event on November 26, 2018, and will be readied to support InSight’s critical commissioning phase with UHF relay support and environmental characterization. A new split-pass relay capability has been developed which will allow MRO to relay with two surface vehicles in “close proximity” on the same overflight, i.e. the InSight lander and the Curiosity rover. Extended for another year of operations by NASA, this paper will highlight recent scientific progress and describe actions that will extend MRO’s life well into the 2020’s as a key element of the Mars Exploration Program.

Zurek, Richard W.↗

A class of customized proximal point algorithms for linearly constrained convex optimization

In this paper, we propose a class of customized proximal point algorithms for linearly constrained convex optimization problems. The algorithms are implementable, provided that the proximal operator of the objective function is easy to evaluate. We show that, with special setting of the algorithmic scalar, our algorithms contain the customized proximal point algorithm (He et al., Optim Appl 56:559–572, 2013), the linearized augmented Lagrangian method (Yang and Yuan, Math Comput 82:301–329, 2013), the Bregman Operator Splitting algorithm (Zhang et al., SIAM J Imaging Sci 3:253–276, 2010) as special cases. The global convergence and worst-case convergence rate measured by the iteration complexity are established for the proposed algorithms. Numerical results demonstrate that the algorithms work well for a wide range of the scalar.

97 MATHEMATICS AND COMPUTING↗

MO-DE-207A-07: Filtered Iterative Reconstruction (FIR) Via Proximal Forward-Backward Splitting: A Synergy of Analytical and Iterative Reconstruction Method for CT

Purpose: This work is to develop a general framework, namely filtered iterative reconstruction (FIR) method, to incorporate analytical reconstruction (AR) method into iterative reconstruction (IR) method, for enhanced CT image quality. Methods: FIR is formulated as a combination of filtered data fidelity and sparsity regularization, and then solved by proximal forward-backward splitting (PFBS) algorithm. As a result, the image reconstruction decouples data fidelity and image regularization with a two-step iterative scheme, during which an AR-projection step updates the filtered data fidelity term, while a denoising solver updates the sparsity regularization term. During the AR-projection step, the image is projected to the data domain to form the data residual, and then reconstructed by certain AR to a residual image which is in turn weighted together with previous image iterate to form next image iterate. Since the eigenvalues of AR-projection operator are close to the unity, PFBS based FIR has a fast convergence. Results: The proposed FIR method is validated in the setting of circular cone-beam CT with AR being FDK and total-variation sparsity regularization, and has improved image quality from both AR and IR. For example, AIR has improved visual assessment and quantitative measurement in terms of both contrast and resolution, and reduced axial and half-fan artifacts. Conclusion: FIR is proposed to incorporate AR into IR, with an efficient image reconstruction algorithm based on PFBS. The CBCT results suggest that FIR synergizes AR and IR with improved image quality and reduced axial and half-fan artifacts. The authors was partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000), and the Shanghai Pujiang Talent Program (#14PJ1404500).

60 APPLIED LIFE SCIENCES↗

Lattice Mie resonances and emissivity enhancement in mid-infrared iron pyrite metasurfaces

High-refractive-index antennas with characteristic dimensions comparable to wavelength have a remarkable ability to support pronounces electric and magnetic dipole resonances. Furthermore, periodic arrangements of such resonant antennas result in narrow and strong lattice resonances facilitated by the lattice. We design iron pyrite antennas operating in the mid-infrared spectral range due to the material’s low-energy bandgap and high refractive index. We utilize Kirchhoff’s law, stating that emissivity and absorptance are equal to each other in equilibrium, and we apply it to improve the thermal properties of the iron pyrite metasurface. Through the excitation of collective resonances and manipulation of the antenna lattice’s period, we demonstrate our capacity to control emissivity peaks. These peaks stem from the resonant excitation of electric and magnetic dipoles within proximity to the Rayleigh anomalies. In the lattice of truncated-cone antennas, we observe Rabi splitting of electric and magnetic dipole lattice resonances originating from the antennas’ broken symmetry. We demonstrate that the truncated-cone antenna lattices support strong out-of-plane magnetic dipole lattice resonances at oblique incidence. We show that the truncated-cone antennas, as opposed to disks or cones, facilitate a particularly strong resonance and bound state in the continuum at the normal incidence. Our work demonstrates the effective manipulation of emissivity peaks in iron pyrite metasurfaces through controlled lattice resonances and antenna design, offering promising avenues for mid-infrared spectral engineering.

Islam, Md Sakibul↗

Executive summary: Benefit-cost evaluation of an intra-regional air service in the Bay Area and a technology assessment of transportation system investments

The benefits and costs that would result from an intra-regional air service operation in the San Francisco Bay area were determined by utilizing an iterative statistical decision model to evaluate combinations of commuter airport sites and surface transportation facilities in conjunction with service by a given commuter aircraft type in light of area regional growth alternatives and peak and off-peak regional travel patterns. The model evaluates such transportation option with respect to criteria of airline profitability, public acceptance, and public and private non-user costs. In so doing, it incorporates information on modal split, peak and off-peak use of the air commuter fleet, terminal and airport costs, development costs and uses of land in proximity to the airport sites, regional population shifts, and induced zonal shifts in travel demand. The model is multimodal in its analytic capability, and performs exhaustive sensitivity analysis.

Haefner, L. E.↗

First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

A unified approach for computing (i) spin-transfer torque in magnetic trilayers like spin valve and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces, and (ii) spin-orbit torque in magnetic bilayers of the type ferromagnet/spin-orbit-coupled material, where injected charge current flows parallel to the interface, was reviewed. The experimentally explored and technologically relevant spin-orbit-coupled materials include 5d heavy metals, topological insulators, Weyl semimetals, and transition metal dichalcogenides. This approach requires to construct the torque operator for a given Hamiltonian of the device and the steady-state nonequilibrium density matrix, where the latter is expressed in terms of the nonequilibrium Green’s functions and split into three contributions. Tracing these contributions with the torque operator automatically yields field-like and damping-like components of spin-transfer torque or spin-orbit torque vector, which is particularly advantageous for spin-orbit torque where the direction of these components depends on the unknown-in-advance orientation of the current-driven nonequilibrium spin density in the presence of spin-orbit coupling. Illustrative examples are provided by computing spin-transfer torque in a one-dimensional toy model of a magnetic tunnel junction and realistic Co/Cu/Co spin valve, both of which are described by first-principles Hamiltonians obtained from noncollinear density functional theory calculations, as well as by computing spin-orbit torque in a ferromagnetic layer described by a tight-binding Hamiltonian which includes spin-orbit proximity effect within ferromagnetic monolayers assumed to be generated by the adjacent monolayer transition metal dichalcogenide. In addition, it is shown here how spin-orbit proximity effect, quantified by computing (via first-principles retarded Green’s function) spectral functions and spin textures on monolayers of realistic ferromagnetic material like Co in contact with heavy metal or monolayer transition metal dichalcogenide, can be tailored to enhance the magnitude of spin-orbit torque. Furthermore, errors made in the calculation of spin-transfer torque are quantified when using Hamiltonian from collinear density functional theory, with rigidly rotated magnetic moments to create noncollinear magnetization configurations, instead of proper (but computationally more expensive) self-consistent Hamiltonian obtained from noncollinear density functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗