cssi/SciSciGPT-SciSciNet huggingface dataset:
Reference-free deconvolution of DNA methylation data and mediation by cell composition effects

Recent interest in reference-free deconvolution of DNA methylation data has led to several supervised methods, but these methods do not easily permit the interpretation of underlying cell types. We propose a simple method for reference-free deconvolution that provides both proportions of putative cell types defined by their underlying methylomes, the number of these constituent cell types, as well as a method for evaluating the extent to which the underlying methylomes reflect specific types of cells. We demonstrate these methods in an analysis of 23 Infinium data sets from 13 distinct data collection efforts; these empirical evaluations show that our algorithm can reasonably estimate the number of constituent types, return cell proportion estimates that demonstrate anticipated associations with underlying phenotypic data; and methylomes that reflect the underlying biology of constituent cell types. Our methodology permits an explicit quantitation of the mediation of phenotypic associations with DNA methylation by cell composition effects. Although more work is needed to investigate functional information related to estimated methylomes, our proposed method provides a novel and useful foundation for conducting DNA methylation studies on heterogeneous tissues lacking reference data.
Crossword: A data-driven simulation language for the design of genetic-mapping experiments and breeding strategies.

Quantitative genetic simulations can save time and resources by optimizing the logistics of an experiment. Current tools are difficult to use by those unfamiliar with programming, and these tools rarely address the actual genetic structure of the population under study. Here, we introduce crossword, which utilizes the widely available re-sequencing and genomics data to create more realistic simulations and to reduce user burden. The software was written in R, to simplify installation and implementation. Because crossword is a domain-specific language, it allows complex and unique simulations to be performed, but the language is supported by a graphical interface that guides users through functions and options. We first show crossword’s utility in QTL-seq design, where its output accurately reflects empirical data. By introducing the concept of levels to reflect family relatedness, crossword can simulate a broad range of breeding programs and crops. Using levels, we further illustrate crossword’s capabilities by examining the effect of family size and number of selfing generations on phenotyping accuracy and genomic selection. Additionally, we explore the ramifications of large phenotypic difference between parents in a QTL mapping cross, a scenario that is common in crop genetics but often difficult to simulate.
The resonance energy of amides, the structure of aziridinone, and its relationship to other strained lactams

The resonance energy of amides (lactams) is calculated both with and without inclusion of the inversion barrier of model amines. Inclusion of the barrier yields a larger resonance energy for amides than for esters, whereas the reverse is true if the barrier is not included. This is consistent with intuitive views related to electronegativity. The high inversion barrier in aziridine and a lower intrinsic resonance stabilization in aziridinone explain nonplanar geometry at nitrogen in alpha-lactams. A surprisingly good correlation is seen when one plots the difference in carbonyl frequencies of strained lactams (amides) and ketones versus the enthalpy differences between two olefin analogues to the corresponding lactam (amide) resonance contributors. This correlation implies the need to invoke resonance arguments to understand strained lactams. The deviation of aziridinone from the correlation is explicable in terms of its nonplanar structure and its deviation from planarity.
Synthesis and characterization of halogenated amorphous silicon via a novel glow discharge process

Amorphous silicon powder has been produced in a tubular glow discharge reactor. Reaction were done using SiCl4 discharges of a mixture of hydrogen and helium at atmospheric pressure. Chemical and p...
Crystal Growth, Structure, and Physical Properties of Ln2MGa12 (Ln = La, Ce; M = Ni, Cu)

Single crystals of Ln2MGa12 (Ln = La, Ce; M = Ni, Cu) have been synthesized using Ga flux and their structures determined by single-crystal X-ray diffraction. The Ln2MGa12 (Ln = La, Ce; M = Ni, Cu), which is isostructural to Ce2PdGa12, crystallizes in the tetragonal P4/nbm (No. 125, origin choice 2) space group, with Z = 2 and lattice parameters a ≈ 6.1 A and c ≈ 15.3 A. Ce2NiGa12 orders antiferromagnetically at 10 K and specific heat measurements suggest it is a moderate heavy-fermion system with γ ≈ 191 mJ mol−1 K−2. Magnetic susceptibility data show paramagnetic behavior down to 2 K for Ce2CuGa12, whereas specific heat data suggest a magnetic transition below 1.8 K, with a moderately enhanced γ-value of 69 mJ mol−1 K−2. Metallic behavior is observed below 300 K for each compound. A large positive and nonsaturating magnetoresistance up to 216% at a field (μ0H) of 9 T is also observed for La2NiGa12. We present the crystal structures and physical properties of the Ln2MGa12 (Ln = La, Ce; M = Ni, Cu) series.
Investigation of azoxides and olefins [3 + 2] cycloaddition to 1,2,3‐oxadiazolidines by a combination of density functional theory and semiempirical methods

Theoretical studies of the aspects of an azoxide addition to olefins is presented. The stability of the 1,2,3-oxadiazolidine ring is discussed in regard to its capability to undergo a retro cycloaddition reaction. The structural features necessary to increase the stability of the heterocycle is proposed and evaluated. The computational results are supported with experimental observations.
Condensation of homophthalic anhydrides with heterocyclic imines and DMAD under mild conditions

Condensation of 7-methoxyhomophthalic anhydride with 2-imidazoline, 2-thiazoline, 2-oxazoline, 1-pyrroline trimer and DMAD (with triethylamine) occurs rapidly under mild conditions.
Efficient synthesis of sterically crowded biaryls by palladium-phosphinous acid-catalyzed cross-coupling of aryl halides and aryl grignards.

A series of sterically hindered biaryls have been obtained by palladium- and nickel-phosphinous acid-catalyzed Kumada−Corriu cross-coupling of ortho-substituted aryl halides and Grignard reagents. This method allows formation of di- and tri-ortho-substituted biaryls in 87−98% yield under mild reaction conditions even when electron-rich aryl chlorides are used. The reaction also proceeds with aryl iodides at −20 °C, and under these conditions, functional groups that are generally not compatible with Grignard reagents are tolerated.
Synthesis of 10,11-Dihydro-12-oxo-LTB4, a Key Biochemical Intermediate

The first total synthesis of the 5(S)-hydroxy-10,11-dihydro-12-oxo-6(Z),8(E),14(Z)-eicosatrienoic acid (10,11-dihydro-12-oxo-LTB4) (3) is reported. This compound is a key pivotal intermediate in th...
Sex differences in fear regulation and reward-seeking behaviors in a fear-safety-reward discrimination task.

Abstract Reward availability and the potential for danger or safety potently regulate emotion. Despite women being more likely than men to develop emotion dysregulation disorders, there are comparatively few studies investigating fear, safety and reward regulation in females. Here, we show that female Long Evans rats did not suppress conditioned freezing in the presence of a safety cue, nor did they extinguish their freezing response, whereas males did both. Females were also more reward responsive during the reward cue until the first footshock exposure, at which point there were no sex differences in reward seeking to the reward cue. Darting analyses suggest females were able to regulate this behavior in response to the safety cue, suggesting they were able to discriminate between fear and safety cues but did not demonstrate this with conditioned suppression of freezing behavior. However, levels of darting in this study were too low to make any definitive conclusions. In summary, females showed a significantly different behavioral profile than males in a task that tested the ability to discriminate among fear, safety and reward cues. This paradigm offers a great opportunity to test for mechanisms that are generating these behavioral sex differences in learned safety and reward seeking.
A new procedure for regioselective synthesis of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine (LY134046) and its 3-methyl analogue as inhibitors of phenylethanolamine N-methyltransferase (PNMT)

A regioselective synthesis of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine (LY134046, 10) and its 3-methyl analogue 26 from 6,7-dichloro-3-hydroxyphthalide (16) is described. The key step involved 1,4-hydride addition to the α,β-unsaturated nitrile 17 to give the saturated nitrile 18 using sodium borohydride in 2-propanol. In the preparation of LY134046 10, the COOH group in 18 was first esterified and then the nitrile function was selectively reduced with borane to yield the aminoester 20. The aminoester 20 was then cyclized to the azepinone 21 which on reduction with borane provided LY134046 10 in an overall yield of 22%. The route is adaptable to the preparation of hitherto unknown 3-substituted-2-benzazepines as demonstrated by the preparation of the 3-methyl analogue 26. In this case the nitrile 18 was reacted with an excess methylmagnesium iodide to give the ketoacid 22. Esterification of 22 followed by reductive amination with sodium cyanoborohydride and ammonium acetate provided the aminoester 24, which was then converted to the target benzazepine 26 as described earlier for the title compound. The reaction conditions and the reagents used throughout the sequence are fairly mild and many functional groups may be tolerated. The only limitation to this procedure is the availability of the corresponding hydroxyphthalide. A variation in the choice of reagent in the Grignard reaction of 18 should provide an access to a variety of 3-substituted-2-benzazepines.
Evaluation of the NCCN guidelines using the RIGHT Statement and AGREE-II instrument: a cross-sectional review.

Introduction Robust, clearly reported clinical practice guidelines (CPGs) are essential for evidence-based clinical practice. The Reporting Items for practice Guidelines in HealThcare (RIGHT) Statement and Appraisal of Guidelines for Research and Evaluation (AGREE) II instrument were published to improve the methodological and reporting quality in healthcare CPGs. Methods We applied the RIGHT Statement checklist and AGREE-II instrument to 48 National Comprehensive Cancer Network (NCCN) guidelines. Our primary objective was to assess the adherence to RIGHT and AGREE-II items. Since neither RIGHT nor AGREE-II can judge the clinical usefulness of a guideline, our study is designed to only focus on the methodological and reporting quality of each guideline. Results The NCCN guidelines demonstrated notable strengths and weaknesses. For example, RIGHT Statement items 19 (conflicts of interest), 7b (description of subgroups) and 13a (clear, precise recommendations) were fully reported in all guidelines. However, the guidelines inconsistently incorporated patient values and preferences and cost. Regarding the AGREE-II instrument, the NCCN guidelines scored highly on the domains 4 (clear, precise recommendations) and 6 (handling of conflicts of interest), but lowest on domain 2 (inclusion of all relevant stakeholders). Conclusions In this investigation, we found that NCCN CPGs demonstrate key strengths and weaknesses with respect to the reporting of key items essential to CPGs. We recommend the continued use of NCCN guidelines and improvements to weaknesses in reporting and methods. Doing so serves to improve the evidence delivered to healthcare providers, thus potentially improving patient care.
Understanding the binding and activation of thiophenic molecules in transition metal complexes and clusters

Abstract Organometallic complexes and clusters provide examples of binding modes of thiophenic molecules, activation of the CS bond in thiophene, and actual desulfurization of thiophenic molecules. Our molecular orbital calculations on these complexes are aimed toward understanding how the binding and reactivity of the thiophenic ligands are influenced by the electronic structures of the various complexes. Results of Fenske-Hall molecular orbital calculations for complexes incorporating both η5 and η1 thiophene ligands show that although the thiophene ligand acts primarily as a donor, thiophene can and does act as a π acceptor under certain conditions. These results suggest how binding of a thiophenic ligand and/or activation of the CS bond might be optimized in η5 or η1 complexes. Results for metal-inserted or ring opened complexes show distinct differences in the electronic structure of saturated and unsaturated complexes. The orbital structures and charge distributions provide explanations for the different reactivities of a number of these complexes. Comparisons of the electronic structures and reactivities of the metal-inserted complexes and the butterfly cluster (Cp′)2Mo2 Co2S3(CO)4, which is known to remove sulfur from thiophene, suggest similarities in the mechanism of binding and activation of a thiophene ring in the complexes and the butterfly cluster.
A new preparation of substituted 4H‐1‐benzothiopyran‐4‐ones from c(α)N‐benzoylhydrazones or c(α)N‐carboalkoxyhydrazones and methyl thiosalicylate

C(α)N-Benzoylhydrazones or C(α),N-carboalkoxyhydrazones were dilithiated with excess lithium diisopropylamide, and the dianion-type intermediates were condensed with lithiated methyl thiosalicylate, followed by cyclization/hydrolysis to substituted 4H-1-benzothiopyran-4-ones (thioflavones/thiochromones).
Corrole synthesis by dipyrromethane–dicarbinol and 2,2′-bipyrrole condensation

Abstract A3 and trans-A2B tris-aryl corroles 1a–c have been synthesized in up to 12% yield by BF3·Et2O-catalyzed condensation of dipyrromethane–dicarbinol and 2,2′-bipyrrole (1:1 ratio) in acetonitrile at room temperature for 24 h.
Changes in excitability and ion channel expression in neurons of the major pelvic ganglion in female type II diabetic mice.

Abstract Bladder cystopathy and autonomic dysfunction are common complications of diabetes, and have been associated with changes in ganglionic transmission and some measures of neuronal excitability in male mice. To determine whether type II diabetes also impacts excitability of ganglionic neurons in females, we investigated neuronal excitability and firing properties, as well as underlying ion channel expression, in major pelvic ganglion (MPG) neurons in control, 10-week, and 21-week Leprdb/db mice. Type II diabetes in Leprdb/db animals caused a non-linear change in excitability and firing properties of MPG neurons. At 10 weeks, cells exhibited increased excitability as demonstrated by an increased likelihood of firing multiple spikes upon depolarization, decreased rebound spike latency, and overall narrower action potential half-widths as a result of increased depolarization and repolarization slopes. Conversely, at 21 weeks MPG neurons of Leprdb/db mice reversed these changes, with spiking patterns and action-potential properties largely returning to control levels. These changes are associated with numerous time-specific changes in calcium, sodium, and potassium channel subunit mRNA levels. However, Principal Components Analysis of channel expression patterns revealed that rectification of excitability is not simply a return to control levels, but rather a distinct ion channel expression profile in 21-week Leprdb/db neurons. These data indicate that type II diabetes can impact the excitability of post-ganglionic, autonomic neurons of female mice, and suggest that the non-linear progression of these properties with diabetes may be the result of compensatory changes in channel expression that act to rectify disrupted firing patterns of Leprdb/db MPG neurons.
Ab Initio Study of an H24O12 Zwitterion

An H24O12 zwitterionic water cluster based on the 4454 cage geometry is described and studied at the B3LYP/6-311++G** level. The cluster's PES has two zwitterionic local minima, which are connected by low barrier pathways involving transfers of two protons, denoted H82 and H5U, along hydrogen bonds. The two zwitterionic minima sit in a broad megabasin that also contains two shallow saddles and a hilltop. All features lie within 0.5 kcal/mol of each other. The zwitterion converts to neutralized (H2O)12 clusters via proton transfers along any of eight embedded water wires. Optimized geometries for transition states and products for these neutralization reactions are computed. These neutralization pathways are endothermic at 77 K, suggesting that the zwitterion could be detected in a low temperature experimental system. Activation energies for neutralization range from 2.9 to 3.8 kcal/mol at 77 Κ and from 2.3 to 3.1 kcal/mol at 25 °C. Computed IR spectra for the zwitterion and its neutralized geometries are ...
Novel synthesis modes and properties of [1,4]benzodioxinopyridazines

A simple synthesis involving fusion of catechol and derivatives with 3,4,5-trichloropyridazine has furnished 4-chloro[1,4]benzodioxino[2,3-c]pyridazines 5 for the first time. This new method complements the previously reported base promoted procedure for preparing 4-chloro[1,4]benzodioxino[2,3-d]pyridazines 3. Employing both methods, 4-(trifluoromethyl)catechol was converted to the four regio isomers 3b,c and 5c,d. Reaction of methoxide with either 3 or 5, gave chlorine substitution with formation of methoxybenzodioxinopyridazines 6 and 7 respectively. However, these reactions both give what appears to be an unprecedented rearrangement, with conversion of [2,3-c]pyridazine to [2,3-d]pyridazine and vice versa
Fluorinated stannanes: Part 1. The stereospecific synthesis of fluorinated stannanes via a novel transmetalation of fluorinated zinc and cadmium reagents

Fluorinated stannanes are versatile synthetic intermediates. Reaction of fluorinated vinyl, alkyl and aryl zinc or cadmium reagents with tri-n-butyltin chloride at room temperature yielded the corresponding tri-n-butyl stannanes in moderate to excellent yields. The zinc or cadmium reagents also reacted efficiently with other trialkyl and triaryl chlorostannanes. These zinc and cadmium reagents were prepared in excellent yields by stirring the fluorinated halides with activated zinc or cadmium metal.
Bayesian Tactile Exploration for Compliant Docking With Uncertain Shapes

This paper presents a Bayesian approach for active tactile exploration of a planar shape in the presence of both localization and shape uncertainty. The goal is to dock the robot's end-effector against the shape-reaching a point of contact that resists a desired load-with as few probing actions as possible. The proposed method repeatedly performs inference, planning, and execution steps. Given a prior probability distribution over object shape and sensor readings from previously executed motions, the posterior distribution is inferred using a novel and efficient Hamiltonian Monte Carlo method. The optimal docking site is chosen to maximize docking probability, using a closed-form probabilistic simulation that accepts rigid and compliant motion models under Coulomb friction. Numerical experiments demonstrate that this method requires fewer exploration actions to dock than heuristics and information-gain strategies.
Infinite edge partition models for overlapping community detection and link prediction

A hierarchical gamma process innite edge partition model is proposed to factorize the binary adjacency matrix of an unweighted undirected relational network under a Bernoulli-Poisson link. The model describes both homophily and stochastic equivalence, and is scalable to big sparse networks by focusing its computation on pairs of linked nodes. It can not only discover overlapping communities and inter-community interactions, but also predict missing edges. A simplied version omitting inter-community interactions is also provided and we reveal its interesting connections to existing models. The number of communities is automatically inferred in a nonparametric Bayesian manner, and ecient inference via Gibbs sampling is derived using novel data augmentation techniques. Experimental results on four real networks demonstrate the models’ scalability and state-of-the-art performance.
Using Socially Expressive Mixed Reality Arms for Enhancing Low-Expressivity Robots

Expressivity–the use of multiple modalities to convey internal state and intent of a robot–is critical for interaction. Yet, due to cost, safety, and other constraints, many robots lack high degrees of physical expressivity. This paper explores using mixed reality to enhance a robot with limited expressivity by adding virtual arms that extend the robot’s expressiveness. The arms, capable of a range of non-physically-constrained gestures, were evaluated in a between-subject study (n =34) where participants engaged in a mixed reality mathematics task with a socially assistive robot. The study results indicate that the virtual arms added a higher degree of perceived emotion, helpfulness, and physical presence to the robot. Users who reported a higher perceived physical presence also found the robot to have a higher degree of social presence, ease of use, usefulness, and had a positive attitude toward using the robot with mixed reality. The results also demonstrate the users’ ability to distinguish the virtual gestures’ valence and intent.
Pedestrian-Robot Interaction Experiments in an Exit Corridor

The study of human-robot interaction (HRI) has received increasing research attention for robot navigation in pedestrian crowds. In this paper, we present empirical study of pedestrian-robot interaction in an uni-directional exit corridor. We deploy a mobile robot moving in a direction perpendicular to that of the pedestrian flow, and install a pedestrian motion tracking system to record the collective motion. We analyze both individual and collective motion of pedestrians, and measure the effect of the robot motion on the overall pedestrian flow. The experimental results show the effect of passive HRI, where the pedestrians' overall speed is slowed down in the presence of the robot, and the faster the robot moves, the lower the average pedestrian velocity becomes. Experiment results show qualitative consistency of the collective HRI effect with simulation results that was previously reported. The study can be used to guide future design of robot-assisted pedestrian evacuation algorithms.
ON CERTAIN STATISTICAL PROPERTIES OF CONTINUED FRACTIONS WITH EVEN AND WITH ODD PARTIAL QUOTIENTS

We prove results concerning the joint limiting distribution of the renewal time of denominators and consecutive digits of random irrational numbers in the case of continued fractions with even partial quotients, with odd partial quotients, and for the nearest integer continued fraction. Let (qn) denote the sequence of denominators of successive convergents in the regular con- tinued fraction (RCF) expansion of an irrational number. For each R > 1, consider the renewal time nR := min{n : qn > R}, so that qnR−1 6 R < qnR . As a consequence of their renewal-type theorem for the natural extension of the Gauss map associated with regular continued fractions (RCF), Sinai and Ulcigrai proved the existence of the joint limiting dis- tribution of q nR−1 R , R qnR , anR−K, . . . , anR+K � with K a fixed nonnegative integer (SU). This result has been subsequently extended to the situation of continued fractions with even par- tial quotients (ECF) by Cellarosi (C1). This ECF limiting distribution was further used in the renormalization of theta sums, leading to some new results about the distribution of normalized theta sums and geometrical properties of their associated curlicues (C2, Si). Em- ploying an abstract characterization of denominators of successive convergents in the regular continued fraction expansion RCF(x) of x, Ustinov succeeded in explicitly computing the limiting distribution in the RCF case (U1). This paper considers the corresponding problem in the ECF case and in the case of continued fractions with odd partial quotients (OCF). Its purposes are to simplify the proof of the main result in (C1) while making the limiting distribution explicit, and to extend this type of results to OCF, for which no ergodic theoretical approach is known at this time. As in (U1), the key tool is providing an abstract characterization for pairs of successive convergents in ECF(x) and OCF(x), which may be of independent interest. The OCF case is more complicated because the sequence of denominators of successive convergents in OCF(x) is not necessarily increasing, as in the RCF or ECF cases. We next review some basic properties of ECF (respectively, OCF expansions), given for each x ∈ := (0,1) \ Q by
How the first generations of luminous baryons established the X-ray and UV backgrounds

The first generations of astrophysical objects made a substantial impact on our Universe with their radiation. X-rays from the first sources, with large mean free paths, likely quickly heated the intergalactic medium (IGM). The second generation of 21cm instruments can provide a unique view into this early epoch. The early stages of reionization likely followed, driven by so-called "minihalos", i.e. molecularly-cooled halos. These small halos were susceptible to complex feedback mechanisms, especially from the soft-UV background which preceded reionization, resulting in complex and possibly extended early stages of reionization. When atomically-cooled galaxies emerged as the dominant ionizers, reionization could proceed more rapidly, with these being less sensitive to radiative feedback than previously thought. Reionization could have slowed in the final stages when the ionized bubbles grew larger than the separation of Lyman limit absorption systems (LLSs). The final stages likely involved the photo-evaporation of LLSs, which by then regulated the rise of the UV background. I discuss the theoretical underpinnings of this narrative, as well as how future 21cm observations may help shed light on the outstanding uncertainties.
The Elliptic Law

A fundamental problem in random matrix theory is to determine the limiting distribution of the ESD as the size of the matrix tends to infinity. In certain cases when the entries have special distribution, such as Gaussian, the joint distribution of the eigenvalues can be given explicitly, and so the limiting distribution can be derived directly. However, these explicit formulas are not available for many random matrix ensembles, and so the problem of finding the limiting distribution becomes much more difficult. On the other hand, the well-known universality phenomenon in random matrix theory predicts that the limiting distribution should not depend on the distribution of the entries. We give two famous examples below. In the 1950s, Wigner studied the limiting ESD for a large class of random Hermitian matrices whose entries on or above the diagonal are independent [52]. In particular, Wigner showed that, under some additional moment
Approximation Algorithms for Hypergraph Small-Set Expansion and Small-Set Vertex Expansion

The expansion of a hypergraph, a natural extension of the notion of expansion in graphs, is defined as the minimum over all cuts in the hypergraph of the ratio of the number of the hyperedges cut to the size of the smaller side of the cut. We study the Hypergraph Small Set Expansion problem, which, for a parameter 2 (0, 1/2], asks to compute the cut having the least expansion while having at most fraction of the vertices on the smaller side of the cut. We present two algorithms. Our first algorithm gives an ˜ O( 1 p logn) approximation. The second algorithm finds a set with expansion ˜ O( 1 ( p dmaxr 1 logr + )) in ar‐uniform hypergraph with maximum degreedmax (where is the expansion of the optimal solution). Using these results, we also obtain algorithms for the Small Set Vertex Expansion problem: we get an ˜ O( 1 p logn) approximation algorithm and an algorithm that finds a set with vertex expansion O 1 p V logdmax + 1 V (where V is the vertex expansion of the optimal solution). For = 1/2, Hypergraph Small Set Expansion is equivalent to the hypergraph expansion problem. In this case, our approximation factor of O( p logn) for expansion in hypergraphs matches the corresponding approximation factor for expansion in graphs due to Arora, Rao, and Vazirani.
On mixed Dirichlet-Neumann eigenvalues of triangles

We order lowest mixed Dirichlet-Neumann eigenvalues of right triangles according to which sides we apply the Dirichlet conditions. It is generally true that Dirichlet condition on a superset leads to larger eigenvalues, but it is nontrivial to compare e.g. the mixed cases on triangles with just one Dirichlet side. As a consequence of that order we also classify the lowest Neumann and Dirichlet eigenvalues of rhombi according to their symmetry/antisymmetry with respect to the diagonal. We also give an order for the mixed Dirichlet-Neumann eigenvalues on arbitrary triangle, assuming two Dirichlet sides. The single Dirichlet side case is conjectured to also have appropriate order, following right triangular case.
Generalized Zero-Shot Recognition Based on Visually Semantic Embedding

We propose a novel Generalized Zero-Shot learning (GZSL) method that is agnostic to both unseen images and unseen semantic vectors during training. Prior works in this context propose to map high-dimensional visual features to the semantic domain, which we believe contributes to the semantic gap. To bridge the gap, we propose a novel low-dimensional embedding of visual instances that is “visually semantic.” Analogous to semantic data that quantifies the existence of an attribute in the presented instance, components of our visual embedding quantifies existence of a prototypical part-type in the presented instance. In parallel, as a thought experiment, we quantify the impact of noisy semantic data by utilizing a novel visual oracle to visually supervise a learner. These factors, namely semantic noise, visual-semantic gap and label noise lead us to propose a new graphical model for inference with pairwise interactions between label, semantic data, and inputs. We tabulate results on a number of benchmark datasets demonstrating significant improvement in accuracy over state-of-art under both semantic and visual supervision.
Irreducibility of quantum representations of mapping class groups with boundary

We prove that the Witten--Reshetikhin--Turaev $\mathrm{SU}(2)$ quantum representations of mapping class groups are always irreducible in the case of surfaces equipped with colored banded points, provided that at least one banded point is colored by one. We thus generalize a well--known result due to J. Roberts.
On overfitting and post-selection uncertainty assessments

Summary In a regression context, when the relevant subset of explanatory variables is uncertain, it is common to use a data-driven model selection procedure. Classical linear model theory, applied naively to the selected submodel, may not be valid because it ignores the selected submodel’s dependence on the data. We provide an explanation of this phenomenon, in terms of overfitting, for a class of model selection criteria.
Car–Parrinello Monitor for More Robust Born–Oppenheimer Molecular Dynamics

Born-Oppenheimer molecular dynamics (BOMD) is a promising simulation method for exploring the possible reaction pathways of a chemical system, but one significant challenge is the increased difficulty of converging the self-consistent field (SCF) calculation that often accompanies the breaking and forming of chemical bonds. To address this challenge, we developed an enhancement to the BOMD simulation method called the Car-Parrinello monitor (CPMonitor) that uses Car-Parrinello molecular dynamics (CPMD) to recover from SCF convergence failures. CPMonitor works by detecting SCF convergence failures in BOMD and switching to a CPMD Hamiltonian to propagate through the region of configuration space where the SCF calculation is unable to converge, then switching back to BOMD when good convergence behavior is re-established. We present a series of simulation studies that use CPMonitor, including detailed studies of the thermodynamic and dynamical properties of simple systems, as well as ab initio nanoreactor simulations containing transition metal atoms that were previously not possible to simulate using standard BOMD methods. Our studies show that CPMonitor can make BOMD simulations robust to SCF convergence difficulties and improve simulation performance and stability in reaction discovery applications.
TORUS KNOTS ARE FOURIER-(1,1,2) KNOTS

Every torus knot can be represented as a Fourier-(1,1,2) knot which is the simplest possible Fourier representation for such a knot. This answers a question of Kauffman and confirms the conjecture made by Boocher, Daigle, Hoste and Zheng. In particular, the torus knot Tp,q can be parameterized as \[ \begin{array}{rcl} x(t)&=&\cos(pt),\\ y(t)&=&\cos(q t+\pi/(2 p)),\\ z(t)&=&\cos(pt+\pi/2)+\cos((q-p)t+\pi/(2 p)-\pi/(4q)). \end{array} \]
Gromov-Witten Theory of Toric Birational Transformations

We investigate the effect of a general toric wall crossing on genus zero Gromov-Witten theory. Given two complete toric orbifolds $X_+$ and $X_-$ related by wall crossing under variation of GIT, we prove that their respective $I$-functions are related by linear transformation and asymptotic expansion. We use this comparison to deduce a similar result for birational complete intersections in $X_+$ and $X_-$. This extends the work of the previous authors in Acosta-Shoemaker to the case of complete intersections in toric varieties, and generalizes some of the results of Coates-Iritani-Jiang on the crepant transformation conjecture to the setting of non-zero discrepancy.
More on tie-points and homeomorphism in N*

A point x is a (bow) tie-point of a space X if X setminus {x} can be partitioned into (relatively) clopen sets each with x in its closure. Tie-points have appeared in the construction of non-trivial autohomeomorphisms of betaN setminus N= N^* and in the recent study of (precisely) 2-to-1 maps on N^*. In these cases the tie-points have been the unique fixed point of an involution on N^*. One application of the results in this paper is the consistency of there being a 2-to-1 continuous image of N^* which is not a homeomorph of N^* .
On the minimal sum of Betti numbers of an almost complex manifold

Abstract We show that the only rational homology spheres which can admit almost complex structures occur in dimensions two and six. Moreover, we provide infinitely many examples of six-dimensional rational homology spheres which admit almost complex structures, and infinitely many which do not. We then show that if a closed almost complex manifold has sum of Betti numbers three, then its dimension must be a power of two.
Deep multi-modal classification of intraductal papillary mucinous neoplasms (IPMN) with canonical correlation analysis

Pancreatic cancer has the poorest prognosis among all cancer types. Intraductal Papillary Mucinous Neoplasms (IPMNs) are radiographically identifiable precursors to pancreatic cancer; hence, early detection and precise risk assessment of IPMN are vital. In this work, we propose a Convolutional Neural Network (CNN) based computer aided diagnosis (CAD) system to perform IPMN diagnosis and risk assessment by utilizing multi-modal MRI. In our proposed approach, we use minimum and maximum intensity projections to ease the annotation variations among different slices and type of MRIs. Then, we present a CNN to obtain deep feature representation corresponding to each MRI modality (T1-weighted and T2-weighted). At the final step, we employ canonical correlation analysis (CCA) to perform a fusion operation at the feature level, leading to discriminative canonical correlation features. Extracted features are used for classification. Our results indicate significant improvements over other potential approaches to solve this important problem. The proposed approach doesn't require explicit sample balancing in cases of imbalance between positive and negative examples. To the best of our knowledge, our study is the first to automatically diagnose IPMN using multi-modal MRI.
Quantum supergroups II. Canonical basis

Following Kashiwara's algebraic approach, we construct crystal bases and canonical bases for quantum supergroups with no isotropic odd roots and for their integrable modules.
Lemniscates do not survive Laplacian growth

The large class of moving boundary processes in the plane modeled by the so-called Laplacian growth, which describes, e.g., solidification, electrodeposition, viscous fingering, bacterial growth, etc., is known to be integrable and to exhibit a large number of exact solutions. In this work, the boundaries are assumed to be in the class of lemniscates with all zeros inside the bounded component of the complex plane. We prove that for any initial boundary taken from this class, the evolving boundary instantly stops being in the class, or else Laplacian growth destroys lemniscates instantly.
Negative and positive magnetoresistance in bilayer graphene: Effects of weak localization and charge inhomogeneity

We report measurements of magnetoresistance in bilayer graphene as a function of gate voltage (carrier density) and temperature. We examine multiple contributions to the magnetoresistance, including those of weak localization (WL), universal conductance fluctuations (UCF), and inhomogeneous charge transport. A clear WL signal is evident at all measured gate voltages (in the hole doped regime) and temperature ranges (from 0.25 to 4.3 K), and the phase coherence length extracted from the WL data does not saturate at low temperatures. The WL data is fit to demonstrate that the electron–electron Nyquist scattering is the major source of phase decoherence. A decrease in UCF amplitude with increase in gate voltage and temperature is shown to be consistent with a corresponding decrease in the phase coherence length. In addition, a weak positive magnetoresistance at higher magnetic fields is observed, and attributed to inhomogeneous charge transport.
Online Learning Without Prior Information.

The vast majority of optimization and online learning algorithms today require some prior information about the data (often in the form of bounds on gradients or on the optimal parameter value). When this information is not available, these algorithms require laborious manual tuning of various hyperparameters, motivating the search for algorithms that can adapt to the data with no prior information. We describe a frontier of new lower bounds on the performance of such algorithms, reflecting a tradeoff between a term that depends on the optimal parameter value and a term that depends on the gradients' rate of growth. Further, we construct a family of algorithms whose performance matches any desired point on this frontier, which no previous algorithm reaches.
Microorganism billiards in closed plane curves

Recent experiments have shown that many species of microorganisms leave a solid surface at a fixed angle determined by steric interactions and near-field hydrodynamics. This angle is completely independent of the incoming angle. For several collisions in a closed body this determines a unique type of billiard system, an aspecular billiard in which the outgoing angle is fixed for all collisions. We analyze such a system using numerical simulation of this billiard for varying tables and outgoing angles, and also utilize the theory of one-dimensional maps and wavefront dynamics. When applicable we cite results from and compare our system to similar billiard systems in the literature. We focus on examples from three broad classes: the ellipse, the Bunimovich billiards, and the Sinai billiards. The effect of a noisy outgoing angle is also discussed.
ILLUMINATION BY TANGENT LINES

Let f be a differentiable function on the real line, and let P ∈ GCf = all points not on the graph of f . We say that the illumination index of P , denoted by If (P ), is k if there are k distinct tangents to the graph of f which pass through P . In section 2 we prove results about the illumination index of f with f ′′(x) ≥ 0 on R. In particular, suppose that y = L1(x) and y = L2(x) are distinct oblique asymptotes of f and let P = (s, t) ∈ G C f . If max (L1(s), L2(s)) < t < f(s), then If (P ) = 2. If L1(s) 6= L2(s) and min (L1(s), L2(s)) < t ≤ max (L1(s), L2(s)), then If (P ) = 1. Finally, if t ≤ min (L1(s), L2(s)), then If (P ) = 0. We also show that any point below the graph of a convex rational function or exponential
Message passing algorithms for compressed sensing: I. motivation and construction

In a recent paper, the authors proposed a new class of low-complexity iterative thresholding algorithms for reconstructing sparse signals from a small set of linear measurements [1]. The new algorithms are broadly referred to as AMP, for approximate message passing. This is the first of two conference papers describing the derivation of these algorithms, connection with the related literature, extensions of the original framework, and new empirical evidence. In particular, the present paper outlines the derivation of AMP from standard sum-product belief propagation, and its extension in several directions. We also discuss relations with formal calculations based on statistical mechanics methods.
Trace ideals and centers of endomorphism rings of modules over commutative rings

Abstract Let R be a commutative Noetherian ring and M a finitely generated R-module. Under various hypotheses, it is proved that the center of End R ( M ) coincides with the endomorphism ring of the trace ideal of M. These results are exploited to establish results for balanced and rigid modules, and to settle certain cases of a conjecture of Huneke and Wiegand.
Admissible Hierarchical Clustering Methods and Algorithms for Asymmetric Networks

This paper characterizes hierarchical clustering methods that abide by two previously introduced axioms—thus, denominated admissible methods—and proposes tractable algorithms for their implementation. We leverage the fact that, for asymmetric networks, every admissible method must be contained between reciprocal and nonreciprocal clustering, and describe three families of intermediate methods. Grafting methods exchange branches between dendrograms generated by different admissible methods. The convex combination family combines admissible methods through a convex operation in the space of dendrograms, and third, the semireciprocal family clusters nodes that are related by strong cyclic influences in the network. An algorithmic framework for the computation of hierarchical clusters generated by reciprocal and nonreciprocal clustering as well as the grafting, convex combination and semireciprocal families is presented via matrix operations in a dioid algebra. Finally, the introduced clustering methods and algorithms are exemplified through their application to a network describing the interrelation between sectors of the United States (U.S.) economy.
Introducing DeepBalance: Random deep belief network ensembles to address class imbalance

Class imbalance problems manifest in domains such as financial fraud detection or network intrusion analysis, where the prevalence of one class is much higher than another. Typically, practitioners are more interested in predicting the minority class than the majority class, as the minority class may carry a higher misclassification cost. However, classifier performance deteriorates in the face of class imbalance as oftentimes classifiers may predict every point as the majority class. Methods for dealing with class imbalance include cost-sensitive learning or resampling techniques. In this paper, we introduce DeepBalance, an ensemble of deep belief networks trained with balanced bootstraps and random feature selection. We demonstrate that our proposed method outperforms baseline resampling methods such as SMOTE and under- and over-sampling in metrics such as AUC and sensitivity when applied to highly imbalanced financial transaction data sets. Additionally, we explore performance and training time implications of various model parameters. Furthermore, we show that our model is easily parallelizable, which can reduce training times. Finally, we present an implementation of DeepBalance in R.
30 GHz Zeno-based graphene electro-optic modulator

We experimentally demonstrate the first ultrafast graphene modulator by exploiting Zeno coupling effects in a graphene-on-silicon-nitride ring resonator.
On the local converse theorem and the descent theorem in families

In this paper, we prove an analogue of Jacquet’s conjecture on the local converse theorem for $$\ell $$-adic families of co-Whittaker representations of $${\mathrm {GL}}_n(F)$$, where F is a finite extension of $${\mathbb {Q}}_p$$ and $$\ell \ne p$$. We also prove an analogue of Jacquet’s conjecture for a descent theorem, which asks for the smallest collection of gamma factors determining the subring of definition of an $$\ell $$-adic family. These two theorems are closely related to the local Langlands correspondence in $$\ell $$-adic families.
Integrating logical and probabilistic reasoning for Decision Making

We describe a representation and a set of inference methods that combine logic programming techniques with probabilistic network representations for uncertainty (influence diagrams). The techniques emphasize the dynamic construction and solution of probabilistic and decision-theoretic models for complex and uncertain domains. Given a query, a logical proof is produced if possible; if not, an influence diagram based on the query and the knowledge of the decision domain is produced and subsequently solved. A uniform declarative, first-order, knowledge representation is combined with a set of integrated inference procedures for logical, probabilistic, and decision-theoretic reasoning.
On the number of union-free families

A family of sets is union-free if there are no three distinct sets in the family such that the union of two of the sets is equal to the third set. Kleitman proved that every union-free family has size at most (1+o(1))(n/2n). Later, Burosch–Demetrovics–Katona–Kleitman–Sapozhenko asked for the number α(n) of such families, and they proved that \({2^{\left( {\begin{array}{*{20}{c}} n \\ {n/2} \end{array}} \right)}} \leqslant \alpha \left( n \right) \leqslant {2^{2\sqrt 2 \left( {\begin{array}{*{20}{c}} n \\ {n/2} \end{array}} \right)\left( {1 + o\left( 1 \right)} \right)}}\) They conjectured that the constant \(2\sqrt 2 \) can be removed in the exponent of the right-hand side. We prove their conjecture by formulating a new container-type theorem for rooted hypergraphs.
Convex plumbings and Lefschetz fibrations

We show that under appropriate hypotheses, a plumbing of symplectic surfaces in a symplectic 4-manifold admits strongly convex neighborhoods. Moreover the neighborhoods are Lefschetz fibered with an easily described open book on the boundary supporting the induced contact structure. We point out some applications to cut-and-paste constructions of symplectic 4-manifolds.
Equivariant split generation and mirror symmetry of special isogenous tori

Abstract We prove a version of equivariant split generation of Fukaya category when a symplectic manifold admits a free action of a finite group G . Combining this with some generalizations of Seidel's algebraic frameworks from [35] , we obtain new cases of homological mirror symmetry for some symplectic tori with non-split symplectic forms, which we call special isogenous tori . This extends the work of Abouzaid–Smith [2] . We also show that derived Fukaya categories are complete invariants of special isogenous tori.