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Full-Text Articles in Physical Sciences and Mathematics

Synthesis Of 2-Arylpyridines By The Suzuki–Miyaura Cross-Coupling Of Pyfluor With Hetero (Aryl) Boronic Acids And Esters, Juan Rueda-Espinosa, Dewni Ramanayake, Nicholas Ball, Jennifer A. Love Aug 2023

Synthesis Of 2-Arylpyridines By The Suzuki–Miyaura Cross-Coupling Of Pyfluor With Hetero (Aryl) Boronic Acids And Esters, Juan Rueda-Espinosa, Dewni Ramanayake, Nicholas Ball, Jennifer A. Love

Pomona Faculty Publications and Research

The Suzuki–Miyaura cross-coupling of pyridine-2-sulfonyl fluoride (PyFluor) with hetero(aryl) boronic acids and pinacol boronic esters is reported. The reactions can be performed using Pd(dppf)Cl2 as the catalyst, at temperatures between 65 and 100 °C and in the presence of water and oxygen. This transformation generates 2-arylpyridines in modest to good yields (5%–89%).

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Regular Solutions To Elliptic Equations, Alfonso Castro, Jon T. Jacobsen Mar 2023

Regular Solutions To Elliptic Equations, Alfonso Castro, Jon T. Jacobsen

All HMC Faculty Publications and Research

A review of results and techniques on the existence of regular radial solutions to second order elliptic boundary value problems driven by linear and quasilinear operators is presented. Of particular interest are results where the solvability of a given elliptic problem can be analyzed by the relationship between the spectrum of the operator and the behavior of the nonlinearity near infinity and at zero. Energy arguments and Pohozaev type identities are used extensively in that analysis. An appendix with a proof of the contraction mapping principle best suited for using continuous dependence to ordinary differential equations on initial conditions is …

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An Undergraduate Consortium For Addressing The Leaky Pipeline To Computing Research, James C. Boerkoel Jr., Mehmet Ergezer Mar 2023

An Undergraduate Consortium For Addressing The Leaky Pipeline To Computing Research, James C. Boerkoel Jr., Mehmet Ergezer

All HMC Faculty Publications and Research

Despite an increasing number of successful interventions designed to broaden participation in computing research, there is still significant attrition among historically marginalized groups in the computing research pipeline. This experience report describes a first-of-its-kind Undergraduate Consortium (UC; https://aaai-uc.github.io/about) that addresses this challenge by empowering students with a culmination of their undergraduate research in a conference setting. The UC, conducted at the AAAI Conference on Artificial Intelligence (AAAI), aims to broaden participation in the AI research community by recruiting students, particularly those from historically marginalized groups, supporting them with mentorship, advising, and networking as an accelerator toward graduate school, AI research, …

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Stable Trace Ideals And Applications, Haydee Lindo, Hai Long Dao Feb 2023

Stable Trace Ideals And Applications, Haydee Lindo, Hai Long Dao

All HMC Faculty Publications and Research

We study stable trace ideals in one dimensional local Cohen–Macaulay rings and give numerous applications.

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Calcium Bistriflimide-Mediated Sulfur (Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Nicholas Ball, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, O Maduka Ogba Jun 2022

Calcium Bistriflimide-Mediated Sulfur (Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Nicholas Ball, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, O Maduka Ogba

Pomona Faculty Publications and Research

We report a mechanistic investigation of calcium bistriflimide-mediated sulfur(VI)–fluoride exchange (SuFEx) between sulfonyl fluorides and amines. We determine the likely pre-activation resting state─a calcium bistriflimide complex with ligated amines─thus allowing for corroborated calculation of the SuFEx activation barrier at ∼21 kcal/mol, compared to 21.5 ± 0.14 kcal/mol derived via kinetics experiments. Transition state analysis revealed: (1) a two-point calcium-substrate contact that activates the sulfur(VI) center and stabilizes the leaving fluoride and (2) a 1,4-diazabicyclo[2.2.2]octane additive that provides Brønsted-base activation of the nucleophilic amine. Stable Ca–F complexes upon sulfonamide formation are likely contributors to inhibited catalytic turnover, and a proof-of-principle redesign …

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Sulfondiimidamides Unlocked As New S(Vi) Hubs For Synthesis And Drug Discovery, Nicholas Ball Mar 2022

Sulfondiimidamides Unlocked As New S(Vi) Hubs For Synthesis And Drug Discovery, Nicholas Ball

Pomona Faculty Publications and Research

Despite their promise as drug targets, access to nitrogen-rich S(VI) compounds has been a significant synthetic challenge. In this issue of Chem, Zhang and Willis explore a new class of S(VI) compounds-sulfondiimidamides-providing robust strategies toward their synthesis, derivation, and promise as new sulfonamide bioisosteres.

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Infinitely Many Radial Solutions For A P-Laplacian Problem With Indefinite Weight, Alfonso Castro, Jorge Cossio, Sigifredo Herrón, Carlos Vélez Oct 2021

Infinitely Many Radial Solutions For A P-Laplacian Problem With Indefinite Weight, Alfonso Castro, Jorge Cossio, Sigifredo Herrón, Carlos Vélez

All HMC Faculty Publications and Research

We prove the existence of infinitely many sign changing radial solutions for a p-Laplacian Dirichlet problem in a ball. Our problem involves a weight function that is positive at the center of the unit ball and negative in its boundary. Standard initial value problems-phase plane analysis arguments do not apply here because solutions to the corresponding initial value problem may blow up near the boundary due to the fact that our weight function is negative at the boundary. We overcome this difficulty by connecting the solutions to a singular initial value problem with those of a regular initial value problem …

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The Emerging Applications Of Sulfur (Vi) Fluorides In Catalysis, Nicholas Ball, Cayo Lee, Jonathan E. Elisabeth, Nathan C. Friede, Glenn M. Sammis May 2021

The Emerging Applications Of Sulfur (Vi) Fluorides In Catalysis, Nicholas Ball, Cayo Lee, Jonathan E. Elisabeth, Nathan C. Friede, Glenn M. Sammis

Pomona Faculty Publications and Research

The past decade has witnessed remarkable growth of catalytic transformations in organic sulfur(VI) fluoride chemistry. This Perspective concentrates exclusively on foundational examples that utilize catalytic strategies to synthesize and react S(VI) fluorides. Key mechanistic studies that aim to provide insight toward future catalytic systems are emphasized.

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Quantifying Controllability In Temporal Networks With Uncertainty, James C. Boerkoel Jr., Lindsay Popowski, Michael Gao, Hemeng Li, Savana Ammons, Shyan Akmal Oct 2020

Quantifying Controllability In Temporal Networks With Uncertainty, James C. Boerkoel Jr., Lindsay Popowski, Michael Gao, Hemeng Li, Savana Ammons, Shyan Akmal

All HMC Faculty Publications and Research

Controllability for Simple Temporal Networks with Uncertainty (STNUs) has thus far been limited to three levels: strong, dynamic, and weak. Because of this, there is currently no systematic way for an agent to assess just how far from being controllable an uncontrollable STNU is. We provide new insights inspired by a geometric interpretation of STNUs to introduce the degrees of strong and dynamic controllability - continuous metrics that measure how far a network is from being controllable. We utilize these metrics to approximate the probabilities that an STNU can be dispatched successfully offline and online respectively. We introduce new methods …

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Sufex Activation With Ca(Ntf2)2: A Unified Strategy To Access Sulfamides, Sulfamates, And Sulfonamides From S(Vi) Fluorides, Nicholas Ball, Subham Mahapatra, Cristian P. Woroch, Todd W. Butler, Sabrina N. Carneiro, Sabrina C. Kwan, Samuel R. Khasnavis, Junha Gu, Jason K. Dutra, Beth C. Vetelino, Justin Bellenger, Christopher W. Am Ende May 2020

Sufex Activation With Ca(Ntf2)2: A Unified Strategy To Access Sulfamides, Sulfamates, And Sulfonamides From S(Vi) Fluorides, Nicholas Ball, Subham Mahapatra, Cristian P. Woroch, Todd W. Butler, Sabrina N. Carneiro, Sabrina C. Kwan, Samuel R. Khasnavis, Junha Gu, Jason K. Dutra, Beth C. Vetelino, Justin Bellenger, Christopher W. Am Ende

Pomona Faculty Publications and Research

A method to activate sulfamoyl fluorides, fluorosulfates, and sulfonyl fluorides with calcium triflimide and DABCO for SuFEx with amines is described. The reaction was applied to a diverse set of sulfamides, sulfamates, and sulfonamides at room temperature under mild conditions. Additionally, we highlight this transformation to parallel medicinal chemistry to generate a broad array of nitrogen-based S(VI) compounds.

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Dynamic Control Of Probabilistic Simple Temporal Networks, James C. Boerkoel Jr., Michael Gao, Lindsay Popowski Apr 2020

Dynamic Control Of Probabilistic Simple Temporal Networks, James C. Boerkoel Jr., Michael Gao, Lindsay Popowski

All HMC Faculty Publications and Research

The controllability of a temporal network is defined as an agent’s ability to navigate around the uncertainty in its schedule and is well-studied for certain networks of temporal constraints. However, many interesting real-world problems can be better represented as Probabilistic Simple Temporal Networks (PSTNs) in which the uncertain durations are represented using potentially-unbounded probability density functions. This can make it inherently impossible to control for all eventualities. In this paper, we propose two new dynamic controllability algorithms that attempt to maximize the likelihood of successfully executing a schedule within a PSTN. The first approach, which we call MIN-LOSS DC, finds …

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Digital Libraries For Open Science: Using A Socio-Technical Interaction Network Approach, Jennifer E. Beamer Jan 2019

Digital Libraries For Open Science: Using A Socio-Technical Interaction Network Approach, Jennifer E. Beamer

Library Staff Publications and Research

This paper argues that using Socio-Technical Interaction Networks to build on extensively-used Digital Library infrastructures for supporting Open Science knowledge environments. Using a more social -technical approach could lead to an evolutionary reconceptualization of Digital Libraries. Digital Libraries being used as knowledge environments, built upon on the document repositories, will also emphasize the importance of user interaction and collaboration in carrying out those activities. That is to say, the primary goal of Digital Libraries is to help users convert information into knowledge; therefore, Digital Libraries examined in light of socio-technical interaction networks have the potential to shift Digital Libraries from …

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Be Wary Of Black-Box Trading Algorithms, Gary N. Smith Jan 2019

Be Wary Of Black-Box Trading Algorithms, Gary N. Smith

Pomona Economics

Black-box algorithms now account for nearly a third of all U. S. stock trades. It is a mistake to think that these algorithms possess superhuman intelligence. In reality, computers do not have the common sense and wisdom that humans have accumulated by living. Trading algorithms are particularly dangerous because they are so efficient at discovering statistical patterns—but so utterly useless in judging whether the discovered patterns are meaningful.

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The Paradox Of Big Data, Gary N. Smith Jan 2019

The Paradox Of Big Data, Gary N. Smith

Pomona Economics

Data-mining is often used to discover patterns in Big Data. It is tempting believe that because an unearthed pattern is unusual it must be meaningful, but patterns are inevitable in Big Data and usually meaningless. The paradox of Big Data is that data mining is most seductive when there are a large number of variables, but a large number of variables exacerbates the perils of data mining.

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The Principal Problem With Principal Components Regression, Heidi Margaret Artigue, Heidi Margaret Artigue Dec 2018

The Principal Problem With Principal Components Regression, Heidi Margaret Artigue, Heidi Margaret Artigue

Pomona Faculty Publications and Research

Principal components regression (PCR) reduces a large number of explanatory variables down to a small number of principal components. PCR is thought to be more useful, the more numerous the potential explanatory variables. The reality is that a large number of candidate explanatory variables does not make PCR more valuable; instead, it magnifies the failings of PCR.

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Boundary Homogenization And Capture Time Distributions Of Semipermeable Membranes With Periodic Patterns Of Reactive Sites, Andrew J. Bernoff, Daniel Schmidt, Alan E. Lindsay Sep 2018

Boundary Homogenization And Capture Time Distributions Of Semipermeable Membranes With Periodic Patterns Of Reactive Sites, Andrew J. Bernoff, Daniel Schmidt, Alan E. Lindsay

All HMC Faculty Publications and Research

We consider the capture dynamics of a particle undergoing a random walk in a half- space bounded by a plane with a periodic pattern of absorbing pores. In particular, we numerically measure and asymptotically characterize the distribution of capture times. Numerically we develop a kinetic Monte Carlo (KMC) method that exploits exact solutions to create an efficient particle- based simulation of the capture time that deals with the infinite half-space exactly and has a run time that is independent of how far from the pores one begins. Past researchers have proposed homogenizing the surface boundary conditions, replacing the reflecting (Neumann) …

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Sulfonamide Synthesis Via Calcium Triflimide Activation Of Sulfonyl Fluorides, Nicholas Ball, Paramita Mukherjee, Cristian P. Woroch, Leah Cleary, Mark Rusznak, Ryan W. Franzese, Matthew R. Reese, Joseph W. Tucker, John M. Humphrey, Sarah M. Etuk, Sabrina C. Kwan, Christopher W. Am Ende Jun 2018

Sulfonamide Synthesis Via Calcium Triflimide Activation Of Sulfonyl Fluorides, Nicholas Ball, Paramita Mukherjee, Cristian P. Woroch, Leah Cleary, Mark Rusznak, Ryan W. Franzese, Matthew R. Reese, Joseph W. Tucker, John M. Humphrey, Sarah M. Etuk, Sabrina C. Kwan, Christopher W. Am Ende

Pomona Faculty Publications and Research

A method using calcium triflimide [Ca(NTf2)2] as a Lewis acid to activate sulfonyl fluorides toward nucleophilic addition with amines is described. The reaction converts a wide array of sterically and electronically diverse sulfonyl fluorides and amines into the corresponding sulfonamides in good yield.

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Numerical Approximation Of Diffusive Capture Rates By Planar And Spherical Surfaces With Absorbing Pores, Andrew J. Bernoff, Alan E. Lindsay Jan 2018

Numerical Approximation Of Diffusive Capture Rates By Planar And Spherical Surfaces With Absorbing Pores, Andrew J. Bernoff, Alan E. Lindsay

All HMC Faculty Publications and Research

In 1977 Berg and Purcell published a landmark paper entitled Physics of Chemore- ception, which examined how a bacterium can sense a chemical attractant in the fluid surrounding it [H. C. Berg and E. M. Purcell, Biophys J, 20 (1977), pp. 193–219]. At small scales the attrac- tant molecules move by Brownian motion and diffusive processes dominate. This example is the archetype of diffusive signaling problems where an agent moves via a random walk until it either strikes or eludes a target. Berg and Purcell modeled the target as a sphere with a set of small circular targets (pores) that …

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Infinitely Many Stability Switches In A Problem With Sublinear Oscillatory Boundary Conditions, Alfonso Castro, Rosa Pardo Apr 2017

Infinitely Many Stability Switches In A Problem With Sublinear Oscillatory Boundary Conditions, Alfonso Castro, Rosa Pardo

All HMC Faculty Publications and Research

We consider the elliptic equation −u+u = 0 with nonlinear boundary condition ∂u ∂n = λu + g(λ, x, u), where g(λ,x,s) s → 0, as |s|→∞ and g is oscillatory. We provide sufficient conditions on g for the existence of unbounded sequences of stable solutions, unstable solutions, and turning points, even in the absence of resonant solutions.

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Existence Of Solutions To A Semilinear Elliptic Boundary Value Problem With Augmented Morse Index Bigger Than Two, Alfonso Castro, Ivan Ventura Apr 2017

Existence Of Solutions To A Semilinear Elliptic Boundary Value Problem With Augmented Morse Index Bigger Than Two, Alfonso Castro, Ivan Ventura

All HMC Faculty Publications and Research

Building on the construction of least energy sign-changing solutions to variational semilinear elliptic boundary value problems introduced in [A. Castro, J. Cossio and J.M. Neuberger, Sign changing solutions for a superlinear Dirichlet problem, Rocky Mountain J. Math. 27 (1997), 1041--1053], we prove the existence of a solution with augmented Morse index at least three when a sublevel of the corresponding action functional has nontrivial topology. We provide examples where the set of least energy sign changing solutions is disconnected, hence has nontrivial topology.

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Pd-Catalyzed Conversion Of Aryl Iodides To Sulfonyl Fluorides Using So2 Surrogate Dabso And Selectfluor, Nicholas Ball, Ariana L. Tribby, Ismerai Rodríguez, Shamira Shariffudin Feb 2017

Pd-Catalyzed Conversion Of Aryl Iodides To Sulfonyl Fluorides Using So2 Surrogate Dabso And Selectfluor, Nicholas Ball, Ariana L. Tribby, Ismerai Rodríguez, Shamira Shariffudin

Pomona Faculty Publications and Research

A one-pot Pd-catalyzed conversion of aryl iodide to aryl sulfonyl fluorides using DABSO and Selectfluor has been developed generating aryl sulfonyl fluorides in good to excellent yields. The reaction results in the generation of electronically and sterically diverse sulfonyl fluorides. Additionally, sulfonyl fluorides can be converted to aryl sulfonamides and sulfonic esters using Cs2CO3 under mild conditions.

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Mathematics For Human Flourishing, Francis Su Jan 2017

Mathematics For Human Flourishing, Francis Su

All HMC Faculty Publications and Research

Why does the practice of mathematics often fall short of our ideals and hopes? How can the deeply human themes that drive us to do mathematics be channeled to build a more beautiful and just world in which all can truly flourish?

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First Passage Statistics For The Capture Of A Brownian Particle By A Structured Spherical Target With Multiple Surface Traps, Alan E. Lindsay, Andrew Bernoff, Michael J. Ward Jan 2017

First Passage Statistics For The Capture Of A Brownian Particle By A Structured Spherical Target With Multiple Surface Traps, Alan E. Lindsay, Andrew Bernoff, Michael J. Ward

All HMC Faculty Publications and Research

We study the first passage time problem for a diffusing molecule in an enclosed region to hit a small spherical target whose surface contains many small absorbing traps. This study is motivated by two examples of cellular transport. The first is the intracellular process through which proteins transit from the cytosol to the interior of the nucleus through nuclear pore complexes that are distributed on the nuclear surface. The second is the problem of chemoreception, in which cells sense their surroundings through diffusive contact with receptors distributed on the cell exterior. Using a matched asymptotic analysis in terms of small …

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Race, Space, And The Conflict Inside Us, Francis Su Nov 2016

Race, Space, And The Conflict Inside Us, Francis Su

All HMC Faculty Publications and Research

Talking about race is hard. Our nation is wrestling with some open wounds about race. These sores have been around a while, but they have been brought to light recently by technology, politics, and an increasingly diverse population. And regardless of the outcome of the U.S. presidential election, we will all need to work at healing these sores, not just in our personal lives, but in our classrooms and in our profession.

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A Sampling Kaczmarz-Motzkin Algorithm For Linear Feasibility, Jesus A. De Loera, Jamie Haddock, Deanna Needell Nov 2016

A Sampling Kaczmarz-Motzkin Algorithm For Linear Feasibility, Jesus A. De Loera, Jamie Haddock, Deanna Needell

CMC Faculty Publications and Research

We combine two iterative algorithms for solving large-scale systems of linear inequalities, the relaxation method of Agmon, Motzkin et al. and the randomized Kaczmarz method. We obtain a family of algorithms that generalize and extend both projection-based techniques. We prove several convergence results, and our computational experiments show our algorithms often outperform the original methods.

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Biquasiles And Dual Graph Diagrams, Deanna Needell, Sam Nelson Oct 2016

Biquasiles And Dual Graph Diagrams, Deanna Needell, Sam Nelson

CMC Faculty Publications and Research

We introduce dual graph diagrams representing oriented knots and links. We use these combinatorial structures to define corresponding algebraic structures we call biquasiles whose axioms are motivated by dual graph Reidemeister moves, generalizing the Dehn presentation of the knot group analogously to the way quandles and biquandles generalize the Wirtinger presentation. We use these structures to define invariants of oriented knots and links. In particular, we identify an example of a finite biquasile whose counting invariant distinguishes the chiral knot 9-32 from its mirror image, demonstrating that biquasile counting invariants are distinct from biquandle counting invariants.

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Batched Stochastic Gradient Descent With Weighted Sampling, Deanna Needell, Rachel Ward Aug 2016

Batched Stochastic Gradient Descent With Weighted Sampling, Deanna Needell, Rachel Ward

CMC Faculty Publications and Research

We analyze a batched variant of Stochastic Gradient Descent (SGD) with weighted sampling distribution for smooth and non-smooth objective functions. We show that by distributing the batches computationally, a significant speedup in the convergence rate is provably possible compared to either batched sampling or weighted sampling alone. We propose several computationally efficient schemes to approximate the optimal weights, and compute proposed sampling distributions explicitly for the least squares and hinge loss problems. We show both analytically and experimentally that substantial gains can be obtained

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The Pinchot Wire: Private Cash, Public Lands - Why The Katahdin Woods And Waters National Monument Matters, Char Miller Aug 2016

The Pinchot Wire: Private Cash, Public Lands - Why The Katahdin Woods And Waters National Monument Matters, Char Miller

Pomona Faculty Publications and Research

Here’s how President Obama celebrated the National Park Service’s 100th birthday: with the stroke of his pen, he established the Katahdin Woods and Waters National Monument in Maine, one of the most innovative initiatives in U.S. environmental history. That’s because the 87,500-acre park, which encompasses some of the Pine Tree State’s most remarkable forests and waterways, is a gift of the Quimby family and comes with a $40 million endowment, a private-public partnership without parallel.

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Tolerant Compressed Sensing With Partially Coherent Sensing Matrices, Tobias Birnbaum, Yonina C. Eldar, Deanna Needell Aug 2016

Tolerant Compressed Sensing With Partially Coherent Sensing Matrices, Tobias Birnbaum, Yonina C. Eldar, Deanna Needell

CMC Faculty Publications and Research

We consider compressed sensing (CS) using partially coherent sensing matrices. Most of CS theory to date is focused on incoherent sensing, that is, columns from the sensing matrix are highly uncorrelated. However, sensing systems with naturally occurring correlations arise in many applications, such as signal detection, motion detection and radar. Moreover, in these applications it is often not necessary to know the support of the signal exactly, but instead small errors in the support and signal are tolerable. In this paper, we focus on d-tolerant recovery, in which support set reconstructions are considered accurate when their locations match the true …

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A Practical Study Of Longitudinal Reference Based Compressed Sensing For Mri, Samuel Birns, Bohyun Kim, Stephanie Ku, Kevin Stangl, Deanna Needell Aug 2016

A Practical Study Of Longitudinal Reference Based Compressed Sensing For Mri, Samuel Birns, Bohyun Kim, Stephanie Ku, Kevin Stangl, Deanna Needell

CMC Faculty Publications and Research

Compressed sensing (CS) is a new signal acquisition paradigm that enables the reconstruction of signals and images from a low number of samples. A particularly exciting application of CS is Magnetic Resonance Imaging (MRI), where CS significantly speeds up scan time by requiring far fewer measurements than standard MRI techniques. Such a reduction in sampling time leads to less power consumption, less need for patient sedation, and more accurate images. This accuracy increase is especially pronounced in pediatric MRI where patients have trouble being still for long scan periods. Although such gains are already significant, even further improvements can be …

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