@unpublished{10762, abstract = {Methods inspired from machine learning have recently attracted great interest in the computational study of quantum many-particle systems. So far, however, it has proven challenging to deal with microscopic models in which the total number of particles is not conserved. To address this issue, we propose a new variant of neural network states, which we term neural coherent states. Taking the Fröhlich impurity model as a case study, we show that neural coherent states can learn the ground state of non-additive systems very well. In particular, we observe substantial improvement over the standard coherent state estimates in the most challenging intermediate coupling regime. Our approach is generic and does not assume specific details of the system, suggesting wide applications.}, author = {Rzadkowski, Wojciech and Lemeshko, Mikhail and Mentink, Johan H.}, booktitle = {arXiv}, pages = {2105.15193}, title = {{Artificial neural network states for non-additive systems}}, doi = {10.48550/arXiv.2105.15193}, year = {2021}, } @unpublished{10803, abstract = {Given the abundance of applications of ranking in recent years, addressing fairness concerns around automated ranking systems becomes necessary for increasing the trust among end-users. Previous work on fair ranking has mostly focused on application-specific fairness notions, often tailored to online advertising, and it rarely considers learning as part of the process. In this work, we show how to transfer numerous fairness notions from binary classification to a learning to rank setting. Our formalism allows us to design methods for incorporating fairness objectives with provable generalization guarantees. An extensive experimental evaluation shows that our method can improve ranking fairness substantially with no or only little loss of model quality.}, author = {Konstantinov, Nikola H and Lampert, Christoph}, booktitle = {arXiv}, title = {{Fairness through regularization for learning to rank}}, doi = {10.48550/arXiv.2102.05996}, year = {2021}, } @article{10806, abstract = {Ligands are a fundamental part of nanocrystals. They control and direct nanocrystal syntheses and provide colloidal stability. Bound ligands also affect the nanocrystals’ chemical reactivity and electronic structure. Surface chemistry is thus crucial to understand nanocrystal properties and functionality. Here, we investigate the synthesis of metal oxide nanocrystals (CeO2-x, ZnO, and NiO) from metal nitrate precursors, in the presence of oleylamine ligands. Surprisingly, the nanocrystals are capped exclusively with a fatty acid instead of oleylamine. Analysis of the reaction mixtures with nuclear magnetic resonance spectroscopy revealed several reaction byproducts and intermediates that are common to the decomposition of Ce, Zn, Ni, and Zr nitrate precursors. Our evidence supports the oxidation of alkylamine and formation of a carboxylic acid, thus unraveling this counterintuitive surface chemistry.}, author = {Calcabrini, Mariano and Van den Eynden, Dietger and Sanchez Ribot, Sergi and Pokratath, Rohan and Llorca, Jordi and De Roo, Jonathan and Ibáñez, Maria}, issn = {2691-3704}, journal = {JACS Au}, keywords = {general medicine}, number = {11}, pages = {1898--1903}, publisher = {American Chemical Society}, title = {{Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate}}, doi = {10.1021/jacsau.1c00349}, volume = {1}, year = {2021}, } @article{7685, abstract = {We consider a gas of interacting bosons trapped in a box of side length one in the Gross–Pitaevskii limit. We review the proof of the validity of Bogoliubov’s prediction for the ground state energy and the low-energy excitation spectrum. This note is based on joint work with C. Brennecke, S. Cenatiempo and B. Schlein.}, author = {Boccato, Chiara}, issn = {0129-055X}, journal = {Reviews in Mathematical Physics}, number = {1}, publisher = {World Scientific Publishing}, title = {{The excitation spectrum of the Bose gas in the Gross-Pitaevskii regime}}, doi = {10.1142/S0129055X20600065}, volume = {33}, year = {2021}, } @article{7900, abstract = {Hartree–Fock theory has been justified as a mean-field approximation for fermionic systems. However, it suffers from some defects in predicting physical properties, making necessary a theory of quantum correlations. Recently, bosonization of many-body correlations has been rigorously justified as an upper bound on the correlation energy at high density with weak interactions. We review the bosonic approximation, deriving an effective Hamiltonian. We then show that for systems with Coulomb interaction this effective theory predicts collective excitations (plasmons) in accordance with the random phase approximation of Bohm and Pines, and with experimental observation.}, author = {Benedikter, Niels P}, issn = {1793-6659}, journal = {Reviews in Mathematical Physics}, number = {1}, publisher = {World Scientific Publishing}, title = {{Bosonic collective excitations in Fermi gases}}, doi = {10.1142/s0129055x20600090}, volume = {33}, year = {2021}, } @article{7901, abstract = {We derive rigorously the leading order of the correlation energy of a Fermi gas in a scaling regime of high density and weak interaction. The result verifies the prediction of the random-phase approximation. Our proof refines the method of collective bosonization in three dimensions. We approximately diagonalize an effective Hamiltonian describing approximately bosonic collective excitations around the Hartree–Fock state, while showing that gapless and non-collective excitations have only a negligible effect on the ground state energy.}, author = {Benedikter, Niels P and Nam, Phan Thành and Porta, Marcello and Schlein, Benjamin and Seiringer, Robert}, issn = {1432-1297}, journal = {Inventiones Mathematicae}, pages = {885--979}, publisher = {Springer}, title = {{Correlation energy of a weakly interacting Fermi gas}}, doi = {10.1007/s00222-021-01041-5}, volume = {225}, year = {2021}, } @article{7905, abstract = {We investigate a sheaf-theoretic interpretation of stratification learning from geometric and topological perspectives. Our main result is the construction of stratification learning algorithms framed in terms of a sheaf on a partially ordered set with the Alexandroff topology. We prove that the resulting decomposition is the unique minimal stratification for which the strata are homogeneous and the given sheaf is constructible. In particular, when we choose to work with the local homology sheaf, our algorithm gives an alternative to the local homology transfer algorithm given in Bendich et al. (Proceedings of the 23rd Annual ACM-SIAM Symposium on Discrete Algorithms, pp. 1355–1370, ACM, New York, 2012), and the cohomology stratification algorithm given in Nanda (Found. Comput. Math. 20(2), 195–222, 2020). Additionally, we give examples of stratifications based on the geometric techniques of Breiding et al. (Rev. Mat. Complut. 31(3), 545–593, 2018), illustrating how the sheaf-theoretic approach can be used to study stratifications from both topological and geometric perspectives. This approach also points toward future applications of sheaf theory in the study of topological data analysis by illustrating the utility of the language of sheaf theory in generalizing existing algorithms.}, author = {Brown, Adam and Wang, Bei}, issn = {1432-0444}, journal = {Discrete and Computational Geometry}, pages = {1166--1198}, publisher = {Springer Nature}, title = {{Sheaf-theoretic stratification learning from geometric and topological perspectives}}, doi = {10.1007/s00454-020-00206-y}, volume = {65}, year = {2021}, } @article{7925, abstract = {In this paper, we introduce a relaxed CQ method with alternated inertial step for solving split feasibility problems. We give convergence of the sequence generated by our method under some suitable assumptions. Some numerical implementations from sparse signal and image deblurring are reported to show the efficiency of our method.}, author = {Shehu, Yekini and Gibali, Aviv}, issn = {1862-4480}, journal = {Optimization Letters}, pages = {2109--2126}, publisher = {Springer Nature}, title = {{New inertial relaxed method for solving split feasibilities}}, doi = {10.1007/s11590-020-01603-1}, volume = {15}, year = {2021}, } @article{7939, abstract = {We design fast deterministic algorithms for distance computation in the Congested Clique model. Our key contributions include: A (2+ϵ)-approximation for all-pairs shortest paths in O(log2n/ϵ) rounds on unweighted undirected graphs. With a small additional additive factor, this also applies for weighted graphs. This is the first sub-polynomial constant-factor approximation for APSP in this model. A (1+ϵ)-approximation for multi-source shortest paths from O(n−−√) sources in O(log2n/ϵ) rounds on weighted undirected graphs. This is the first sub-polynomial algorithm obtaining this approximation for a set of sources of polynomial size. Our main techniques are new distance tools that are obtained via improved algorithms for sparse matrix multiplication, which we leverage to construct efficient hopsets and shortest paths. Furthermore, our techniques extend to additional distance problems for which we improve upon the state-of-the-art, including diameter approximation, and an exact single-source shortest paths algorithm for weighted undirected graphs in O~(n1/6) rounds. }, author = {Censor-Hillel, Keren and Dory, Michal and Korhonen, Janne and Leitersdorf, Dean}, issn = {1432-0452}, journal = {Distributed Computing}, pages = {463--487}, publisher = {Springer Nature}, title = {{Fast approximate shortest paths in the congested clique}}, doi = {10.1007/s00446-020-00380-5}, volume = {34}, year = {2021}, } @inbook{7941, abstract = {Expansion microscopy is a recently developed super-resolution imaging technique, which provides an alternative to optics-based methods such as deterministic approaches (e.g. STED) or stochastic approaches (e.g. PALM/STORM). The idea behind expansion microscopy is to embed the biological sample in a swellable gel, and then to expand it isotropically, thereby increasing the distance between the fluorophores. This approach breaks the diffraction barrier by simply separating the emission point-spread-functions of the fluorophores. The resolution attainable in expansion microscopy is thus directly dependent on the separation that can be achieved, i.e. on the expansion factor. The original implementation of the technique achieved an expansion factor of fourfold, for a resolution of 70–80 nm. The subsequently developed X10 method achieves an expansion factor of 10-fold, for a resolution of 25–30 nm. This technique can be implemented with minimal technical requirements on any standard fluorescence microscope, and is more easily applied for multi-color imaging than either deterministic or stochastic super-resolution approaches. This renders X10 expansion microscopy a highly promising tool for new biological discoveries, as discussed here, and as demonstrated by several recent applications.}, author = {Truckenbrodt, Sven M and Rizzoli, Silvio O.}, booktitle = {Methods in Cell Biology}, isbn = {978012820807-6}, issn = {0091-679X}, pages = {33--56}, publisher = {Elsevier}, title = {{Simple multi-color super-resolution by X10 microscopy}}, doi = {10.1016/bs.mcb.2020.04.016}, volume = {161}, year = {2021}, } @article{8196, abstract = {This paper aims to obtain a strong convergence result for a Douglas–Rachford splitting method with inertial extrapolation step for finding a zero of the sum of two set-valued maximal monotone operators without any further assumption of uniform monotonicity on any of the involved maximal monotone operators. Furthermore, our proposed method is easy to implement and the inertial factor in our proposed method is a natural choice. Our method of proof is of independent interest. Finally, some numerical implementations are given to confirm the theoretical analysis.}, author = {Shehu, Yekini and Dong, Qiao-Li and Liu, Lu-Lu and Yao, Jen-Chih}, issn = {1573-2924}, journal = {Optimization and Engineering}, pages = {2627--2653}, publisher = {Springer Nature}, title = {{New strong convergence method for the sum of two maximal monotone operators}}, doi = {10.1007/s11081-020-09544-5}, volume = {22}, year = {2021}, } @article{8198, abstract = {We investigate how the critical driving amplitude at the Floquet many-body localized (MBL) to ergodic phase transition differs between smooth and nonsmooth drives. To this end, we numerically study a disordered spin-1/2 chain which is periodically driven by a sine or square-wave drive over a wide range of driving frequencies. In both cases the critical driving amplitude increases monotonically with the frequency, and at large frequencies it is identical for the two drives. However, at low and intermediate frequencies the critical amplitude of the square-wave drive depends strongly on the frequency, while that of the sinusoidal drive is almost constant over a wide frequency range. By analyzing the density of drive-induced resonances we conclude that this difference is due to resonances induced by the higher harmonics which are present (absent) in the Fourier spectrum of the square-wave (sine) drive. Furthermore, we suggest a numerically efficient method for estimating the frequency dependence of the critical driving amplitudes for different drives which is based on calculating the density of drive-induced resonances. We conclude that delocalization occurs once the density of drive-induced resonances reaches a critical value determined only by the static system.}, author = {Diringer, Asaf A. and Gulden, Tobias}, issn = {2469-9969}, journal = {Physical Review B}, number = {21}, publisher = {American Physical Society}, title = {{Impact of drive harmonics on the stability of Floquet many-body localization}}, doi = {10.1103/PhysRevB.103.214204}, volume = {103}, year = {2021}, } @article{8248, abstract = {We consider the following setting: suppose that we are given a manifold M in Rd with positive reach. Moreover assume that we have an embedded simplical complex A without boundary, whose vertex set lies on the manifold, is sufficiently dense and such that all simplices in A have sufficient quality. We prove that if, locally, interiors of the projection of the simplices onto the tangent space do not intersect, then A is a triangulation of the manifold, that is, they are homeomorphic.}, author = {Boissonnat, Jean-Daniel and Dyer, Ramsay and Ghosh, Arijit and Lieutier, Andre and Wintraecken, Mathijs}, issn = {1432-0444}, journal = {Discrete and Computational Geometry}, pages = {666--686}, publisher = {Springer Nature}, title = {{Local conditions for triangulating submanifolds of Euclidean space}}, doi = {10.1007/s00454-020-00233-9}, volume = {66}, year = {2021}, } @article{8253, abstract = {Brains process information in spiking neural networks. Their intricate connections shape the diverse functions these networks perform. In comparison, the functional capabilities of models of spiking networks are still rudimentary. This shortcoming is mainly due to the lack of insight and practical algorithms to construct the necessary connectivity. Any such algorithm typically attempts to build networks by iteratively reducing the error compared to a desired output. But assigning credit to hidden units in multi-layered spiking networks has remained challenging due to the non-differentiable nonlinearity of spikes. To avoid this issue, one can employ surrogate gradients to discover the required connectivity in spiking network models. However, the choice of a surrogate is not unique, raising the question of how its implementation influences the effectiveness of the method. Here, we use numerical simulations to systematically study how essential design parameters of surrogate gradients impact learning performance on a range of classification problems. We show that surrogate gradient learning is robust to different shapes of underlying surrogate derivatives, but the choice of the derivative’s scale can substantially affect learning performance. When we combine surrogate gradients with a suitable activity regularization technique, robust information processing can be achieved in spiking networks even at the sparse activity limit. Our study provides a systematic account of the remarkable robustness of surrogate gradient learning and serves as a practical guide to model functional spiking neural networks.}, author = {Zenke, Friedemann and Vogels, Tim P}, issn = {1530-888X}, journal = {Neural Computation}, number = {4}, pages = {899--925}, publisher = {MIT Press}, title = {{The remarkable robustness of surrogate gradient learning for instilling complex function in spiking neural networks}}, doi = {10.1162/neco_a_01367}, volume = {33}, year = {2021}, } @article{8338, abstract = {Canonical parametrisations of classical confocal coordinate systems are introduced and exploited to construct non-planar analogues of incircular (IC) nets on individual quadrics and systems of confocal quadrics. Intimate connections with classical deformations of quadrics that are isometric along asymptotic lines and circular cross-sections of quadrics are revealed. The existence of octahedral webs of surfaces of Blaschke type generated by asymptotic and characteristic lines that are diagonally related to lines of curvature is proved theoretically and established constructively. Appropriate samplings (grids) of these webs lead to three-dimensional extensions of non-planar IC nets. Three-dimensional octahedral grids composed of planes and spatially extending (checkerboard) IC-nets are shown to arise in connection with systems of confocal quadrics in Minkowski space. In this context, the Laguerre geometric notion of conical octahedral grids of planes is introduced. The latter generalise the octahedral grids derived from systems of confocal quadrics in Minkowski space. An explicit construction of conical octahedral grids is presented. The results are accompanied by various illustrations which are based on the explicit formulae provided by the theory.}, author = {Akopyan, Arseniy and Bobenko, Alexander I. and Schief, Wolfgang K. and Techter, Jan}, issn = {1432-0444}, journal = {Discrete and Computational Geometry}, pages = {938--976}, publisher = {Springer Nature}, title = {{On mutually diagonal nets on (confocal) quadrics and 3-dimensional webs}}, doi = {10.1007/s00454-020-00240-w}, volume = {66}, year = {2021}, } @article{8373, abstract = {It is well known that special Kubo-Ando operator means admit divergence center interpretations, moreover, they are also mean squared error estimators for certain metrics on positive definite operators. In this paper we give a divergence center interpretation for every symmetric Kubo-Ando mean. This characterization of the symmetric means naturally leads to a definition of weighted and multivariate versions of a large class of symmetric Kubo-Ando means. We study elementary properties of these weighted multivariate means, and note in particular that in the special case of the geometric mean we recover the weighted A#H-mean introduced by Kim, Lawson, and Lim.}, author = {Pitrik, József and Virosztek, Daniel}, issn = {0024-3795}, journal = {Linear Algebra and its Applications}, keywords = {Kubo-Ando mean, weighted multivariate mean, barycenter}, pages = {203--217}, publisher = {Elsevier}, title = {{A divergence center interpretation of general symmetric Kubo-Ando means, and related weighted multivariate operator means}}, doi = {10.1016/j.laa.2020.09.007}, volume = {609}, year = {2021}, } @article{8429, abstract = {We develop a Bayesian model (BayesRR-RC) that provides robust SNP-heritability estimation, an alternative to marker discovery, and accurate genomic prediction, taking 22 seconds per iteration to estimate 8.4 million SNP-effects and 78 SNP-heritability parameters in the UK Biobank. We find that only ≤10% of the genetic variation captured for height, body mass index, cardiovascular disease, and type 2 diabetes is attributable to proximal regulatory regions within 10kb upstream of genes, while 12-25% is attributed to coding regions, 32–44% to introns, and 22-28% to distal 10-500kb upstream regions. Up to 24% of all cis and coding regions of each chromosome are associated with each trait, with over 3,100 independent exonic and intronic regions and over 5,400 independent regulatory regions having ≥95% probability of contributing ≥0.001% to the genetic variance of these four traits. Our open-source software (GMRM) provides a scalable alternative to current approaches for biobank data.}, author = {Patxot, Marion and Trejo Banos, Daniel and Kousathanas, Athanasios and Orliac, Etienne J and Ojavee, Sven E and Moser, Gerhard and Sidorenko, Julia and Kutalik, Zoltan and Magi, Reedik and Visscher, Peter M and Ronnegard, Lars and Robinson, Matthew Richard}, issn = {2041-1723}, journal = {Nature Communications}, number = {1}, publisher = {Springer Nature}, title = {{Probabilistic inference of the genetic architecture underlying functional enrichment of complex traits}}, doi = {10.1038/s41467-021-27258-9}, volume = {12}, year = {2021}, } @article{8430, abstract = {While recent advancements in computation and modelling have improved the analysis of complex traits, our understanding of the genetic basis of the time at symptom onset remains limited. Here, we develop a Bayesian approach (BayesW) that provides probabilistic inference of the genetic architecture of age-at-onset phenotypes in a sampling scheme that facilitates biobank-scale time-to-event analyses. We show in extensive simulation work the benefits BayesW provides in terms of number of discoveries, model performance and genomic prediction. In the UK Biobank, we find many thousands of common genomic regions underlying the age-at-onset of high blood pressure (HBP), cardiac disease (CAD), and type-2 diabetes (T2D), and for the genetic basis of onset reflecting the underlying genetic liability to disease. Age-at-menopause and age-at-menarche are also highly polygenic, but with higher variance contributed by low frequency variants. Genomic prediction into the Estonian Biobank data shows that BayesW gives higher prediction accuracy than other approaches.}, author = {Ojavee, Sven E and Kousathanas, Athanasios and Trejo Banos, Daniel and Orliac, Etienne J and Patxot, Marion and Lall, Kristi and Magi, Reedik and Fischer, Krista and Kutalik, Zoltan and Robinson, Matthew Richard}, issn = {2041-1723}, journal = {Nature Communications}, number = {1}, publisher = {Nature Research}, title = {{Genomic architecture and prediction of censored time-to-event phenotypes with a Bayesian genome-wide analysis}}, doi = {10.1038/s41467-021-22538-w}, volume = {12}, year = {2021}, } @article{8544, abstract = {The synaptotrophic hypothesis posits that synapse formation stabilizes dendritic branches, yet this hypothesis has not been causally tested in vivo in the mammalian brain. Presynaptic ligand cerebellin-1 (Cbln1) and postsynaptic receptor GluD2 mediate synaptogenesis between granule cells and Purkinje cells in the molecular layer of the cerebellar cortex. Here we show that sparse but not global knockout of GluD2 causes under-elaboration of Purkinje cell dendrites in the deep molecular layer and overelaboration in the superficial molecular layer. Developmental, overexpression, structure-function, and genetic epistasis analyses indicate that dendrite morphogenesis defects result from competitive synaptogenesis in a Cbln1/GluD2-dependent manner. A generative model of dendritic growth based on competitive synaptogenesis largely recapitulates GluD2 sparse and global knockout phenotypes. Our results support the synaptotrophic hypothesis at initial stages of dendrite development, suggest a second mode in which cumulative synapse formation inhibits further dendrite growth, and highlight the importance of competition in dendrite morphogenesis.}, author = {Takeo, Yukari H. and Shuster, S. Andrew and Jiang, Linnie and Hu, Miley and Luginbuhl, David J. and Rülicke, Thomas and Contreras, Ximena and Hippenmeyer, Simon and Wagner, Mark J. and Ganguli, Surya and Luo, Liqun}, issn = {1097-4199}, journal = {Neuron}, number = {4}, pages = {P629--644.E8}, publisher = {Elsevier}, title = {{GluD2- and Cbln1-mediated competitive synaptogenesis shapes the dendritic arbors of cerebellar Purkinje cells}}, doi = {10.1016/j.neuron.2020.11.028}, volume = {109}, year = {2021}, } @article{8546, abstract = {Brain neurons arise from relatively few progenitors generating an enormous diversity of neuronal types. Nonetheless, a cardinal feature of mammalian brain neurogenesis is thought to be that excitatory and inhibitory neurons derive from separate, spatially segregated progenitors. Whether bi-potential progenitors with an intrinsic capacity to generate both lineages exist and how such a fate decision may be regulated are unknown. Using cerebellar development as a model, we discover that individual progenitors can give rise to both inhibitory and excitatory lineages. Gradations of Notch activity determine the fates of the progenitors and their daughters. Daughters with the highest levels of Notch activity retain the progenitor fate, while intermediate levels of Notch activity generate inhibitory neurons, and daughters with very low levels of Notch signaling adopt the excitatory fate. Therefore, Notch-mediated binary cell fate choice is a mechanism for regulating the ratio of excitatory to inhibitory neurons from common progenitors.}, author = {Zhang, Tingting and Liu, Tengyuan and Mora, Natalia and Guegan, Justine and Bertrand, Mathilde and Contreras, Ximena and Hansen, Andi H and Streicher, Carmen and Anderle, Marica and Danda, Natasha and Tiberi, Luca and Hippenmeyer, Simon and Hassan, Bassem A.}, issn = { 2211-1247}, journal = {Cell Reports}, number = {10}, publisher = {Elsevier}, title = {{Generation of excitatory and inhibitory neurons from common progenitors via Notch signaling in the cerebellum}}, doi = {10.1016/j.celrep.2021.109208}, volume = {35}, year = {2021}, }