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Seven open problems in applied combinatorics

We present and discuss seven different open problems in applied combinatorics. Additionally, the application areas relevant to this compilation include quantum computing, algorithmic differentiation, topological data analysis, iterative methods, hypergraph cut algorithms, and power systems.

97 MATHEMATICS AND COMPUTING↗

Estimation of combinatoric background in seaquest using an event-mixing method

All experiments observing dilepton pairs (e.g. e + e -, μ + μ - ) must confront the existence of a combinatoricbackground caused by the combining of tracks not arising from the same physics vertex. Some method must be devised to calculate and remove this background. In this document we describe a particular event-mixing method relying on many of the unique aspects of the SeaQuest spectrometer and data. The method described here calculates the combinatoric background with correct normalization; i.e., there is no need to assign a floating normalization factor that is then determined in a subsequent fitting procedure. Numerous tests are applied to demonstrate the reliability of the method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Ames-Lockheed orbiter processing scheduling system

A general purpose scheduling system and its application to Space Shuttle Orbiter Processing at the Kennedy Space Center (KSC) are described. Orbiter processing entails all the inspection, testing, repair, and maintenance necessary to prepare the Shuttle for launch and takes place within the Orbiter Processing Facility (OPF) at KSC, the Vehicle Assembly Building (VAB), and on the launch pad. The problems are extremely combinatoric in that there are thousands of tasks, resources, and other temporal considerations that must be coordinated. Researchers are building a scheduling tool that they hope will be an integral part of automating the planning and scheduling process at KSC. The scheduling engine is domain independent and is also being applied to Space Shuttle cargo processing problems as well as wind tunnel scheduling problems.

Zweben, Monte↗

High-dimensional isotomics, part 2: Observations of over 100 constraints on methionine's isotome

The abundances of different isotopic forms of a compound, or isotopologues, will vary based on its physical and chemical history. The number of isotopologues increases combinatorically with the size of a molecule, and even small molecules such as amino acids have thousands of potentially observable isotopic variants. However, due to the analytical challenges of separating and observing isotopologues, only a few dimensions of isotopic diversity are routinely measured. Overcoming these challenges requires both an experimental method to observe many isotopic properties and a theoretical framework for interpreting these experiments. In Part 1, we presented such a theoretical framework; here, we demonstrate an experimental method, which we apply to methionine. Our approach uses a Q Exactive HF Orbitrap to perform several “M + N experiments”, where a sample is ionized, a subset of its isotopologues with cardinal mass N daltons greater than the unsubstituted isotopologue is selected and fragmented, and the proportions of all detectable isotopic forms of those fragment ions are quantified. We perform M + 1, M + 2, M + 3, and M + 4 experiments of a methionine sample and standard where the sample has a 100 ‰ enrichment of 13C at the methyl carbon relative to the natural 13C abundance at that position in the standard, and is otherwise identical to the standard. We observe isotopic forms of 8 fragment ion species for each version of the M + N experiment. With the assistance of a forward model of expected mass spectra, we identify isotopic peaks for each fragment ion based on observed mass and abundance, screen these for data quality, and quantify abundances for 146 unique isotopic peaks at precisions of ≈ 0.3–3 ‰. We present our direct observations and use them to reconstruct the concentrations of 19 individual singly, doubly, and triply-substituted isotopologues; doing so gives fewer constraints and broader error bars than working with the direct observations, but may be more interpretable for some applications. We also examine possibilities for measuring additional peaks, which are primarily limited by the detection limit of the Orbitrap-IRMS method. We then suggest some possible uses of our direct measurements for chemical forensics and hypothesis testing. Furthermore, our results demonstrate the diversity of isotopic constraints currently observable and interpretable for organic molecules.

58 GEOSCIENCES↗

The Cauchy Problem for Boltzmann Bi-linear Systems: The Mixing of Monatomic and Polyatomic Gases

Abstract From a unified vision of vector valued solutions in weighted Banach spaces, this paper establishes the existence and uniqueness for space homogeneous Boltzmann bi-linear systems with conservative collisional forms arising in complex gas dynamical structures. This broader vision is directly applied to dilute multi-component gas mixtures composed of both monatomic and polyatomic gases. Such models can be viewed as extensions of scalar Boltzmann binary elastic flows, as much as monatomic gas mixtures with disparate masses and single polyatomic gases, providing a unified approach for vector valued solutions in weighted Banach spaces. Novel aspects of this work include developing the extension of a general ODE theory in vector valued weighted Banach spaces, precise lower bounds for the collision frequency in terms of the weighted Banach norm, energy identities, angular or compact manifold averaging lemmas which provide coerciveness resulting into global in time stability, a new combinatorics estimate for p -binomial forms producing sharper estimates for the k -moments of bi-linear collisional forms. These techniques enable the Cauchy problem improvement that resolves the model with initial data corresponding to strictly positive and bounded initial vector valued mass and total energy, in addition to only a $$2^+$$ 2 + moment determined by the hard potential rates discrepancy, a result comparable in generality to the classical Cauchy theory of the scalar homogeneous Boltzmann equation.

Physics↗

Reformulating Non-Monotonic Theories for Inference and Updating

We aim to help build programs that do large-scale, expressive non-monotonic reasoning (NMR): especially, 'learning agents' that store, and revise, a body of conclusions while continually acquiring new, possibly defeasible, premise beliefs. Currently available procedures for forward inference and belief revision are exhaustive, and thus impractical: they compute the entire non-monotonic theory, then re-compute from scratch upon updating with new axioms. These methods are thus badly intractable. In most theories of interest, even backward reasoning is combinatoric (at least NP-hard). Here, we give theoretical results for prioritized circumscription that show how to reformulate default theories so as to make forward inference be selective, as well as concurrent; and to restrict belief revision to a part of the theory. We elaborate a detailed divide-and-conquer strategy. We develop concepts of structure in NM theories, by showing how to reformulate them in a particular fashion: to be conjunctively decomposed into a collection of smaller 'part' theories. We identify two well-behaved special cases that are easily recognized in terms of syntactic properties: disjoint appearances of predicates, and disjoint appearances of individuals (terms). As part of this, we also definitionally reformulate the global axioms, one by one, in addition to applying decomposition. We identify a broad class of prioritized default theories, generalizing default inheritance, for which our results especially bear fruit. For this asocially monadic class, decomposition permits reasoning to be localized to individuals (ground terms), and reduced to propositional. Our reformulation methods are implementable in polynomial time, and apply to several other NM formalisms beyond circumscription.

Grosof, Benjamin N.↗