2573 Publications

A note about convected time derivatives for flows of complex fluids

Howard A Stone , M. Shelley, Evgeniy Boyko

We present a direct derivation of the typical time derivatives used in a continuum description of complex fluid flows{,} harnessing the principles of the kinematics of line elements. The evolution of the microstructural conformation tensor in a flow and the physical interpretation of different derivatives then follow naturally.

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Spin-valley magnetism on the triangular moiré lattice with SU(4) breaking interactions

D. Kiese, S. Trebst
The discovery of correlated insulating states in moiré heterostructures has renewed the interest in strongly-coupled electron systems where spin and valley (or layer) degrees of freedom are intertwined. In the strong-coupling limit, such systems can be effectively described by SU(4) spin-valley models akin to Kugel-Khomskii models long studied in the context of spin-orbit coupled materials. However, typical moiré heterostructures also exhibit interactions that break the SU(4) symmetry down to SU(2)
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Nonequilibrium correlation dynamics in the one-dimensional Fermi-Hubbard model: A testbed for the two-particle reduced density matrix theory

B. Kloss, A. Rubio
We explore the non-equilibrium dynamics of a one-dimensional Fermi-Hubbard system as a sensitive testbed for the capabilities of the time-dependent two-particle reduced density matrix (TD2RDM) theory to accurately describe time-dependent correlated systems. We follow the time evolution of the out-of-equilibrium finite-size Fermi-Hubbard model initialized by a quench over extended periods of time. By comparison with exact calculations for small systems and with matrix product state (MPS) calculations for larger systems but limited to short times, we demonstrate that the TD2RDM theory can accurately account for the non-equilibrium dynamics in the regime from weak to moderately strong inter-particle correlations. We find that the quality of the approximate reconstruction of the three-particle cumulant (or correlation) required for the closure of the equations of motion for the reduced density matrix is key to the accuracy of the numerical TD2RDM results. We identify the size of the dynamically induced three-particle correlations and the amplitude of cross correlations between the two- and three-particle cumulants as critical parameters that control the accuracy of the TD2RDM theory when current state-of-the art reconstruction functionals are employed.
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Many-body delocalization from embedded thermal inclusion

We numerically study quantum avalanches in 1D disordered spin systems by attaching two XXZ spin chains. One chain has low disorder representing a rare Griffith's region, or thermal inclusion, and the second has larger disorder, i.e. disorder larger than the observed finite-size crossover. Comparing dynamics of this system to identical systems with uniformly large disorder, we find evidence for exponentially slow thermalization (in disorder) within the MBL regime when the rare region is present. We observe a decay of the spin imbalance in the bulk of the large disorder region that persists to long times (
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General adjoint-differentiated Laplace approximation

C. Margossian

The hierarchical prior used in Latent Gaussian models (LGMs) induces a posterior geometry prone to frustrate inference algorithms. Marginalizing out the latent Gaussian variable using an integrated Laplace approximation removes the offending geometry, allowing us to do efficient inference on the hyperparameters. To use gradient-based inference we need to compute the approximate marginal likelihood and its gradient. The adjoint-differentiated Laplace approximation differentiates the marginal likelihood and scales well with the dimension of the hyperparameters. While this method can be applied to LGMs with any prior covariance, it only works for likelihoods with a diagonal Hessian. Furthermore, the algorithm requires methods which compute the first three derivatives of the likelihood with current implementations relying on analytical derivatives. I propose a generalization which is applicable to a broader class of likelihoods and does not require analytical derivatives of the likelihood. Numerical experiments suggest the added flexibility comes at no computational cost: on a standard LGM, the new method is in fact slightly faster than the existing adjoint-differentiated Laplace approximation. I also apply the general method to an LGM with an unconventional likelihood. This example highlights the algorithm's potential, as well as persistent challenges.

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Multi-level analysis of the gut–brain axis shows autism spectrum disorder-associated molecular and microbial profiles

J. Morton, Dong-Min Jin, Robert H. Mills, Yan Shao, Gibraan Rahman, Daniel McDonald, Qiyun Zhu, Metin Balaban, Yueyu Jiang, Kalen Cantrell, Antonio Gonzalez, Julie Carmel, Linoy Mia Frankiensztajn, Sandra Martin-Brevet, Kirsten Berding, Brittany D. Needham, María Fernanda Zurita, Maude David, Olga V. Averina, Alexey S. Kovtun, Antonio Noto, Michele Mussap, Mingbang Wang, Daniel N. Frank, Et al.

Autism spectrum disorder (ASD) is a neurodevelopmental disorder characterized by heterogeneous cognitive, behavioral and communication impairments. Disruption of the gut–brain axis (GBA) has been implicated in ASD although with limited reproducibility across studies. In this study, we developed a Bayesian differential ranking algorithm to identify ASD-associated molecular and taxa profiles across 10 cross-sectional microbiome datasets and 15 other datasets, including dietary patterns, metabolomics, cytokine profiles and human brain gene expression profiles. We found a functional architecture along the GBA that correlates with heterogeneity of ASD phenotypes, and it is characterized by ASD-associated amino acid, carbohydrate and lipid profiles predominantly encoded by microbial species in the genera Prevotella, Bifidobacterium, Desulfovibrio and Bacteroides and correlates with brain gene expression changes, restrictive dietary patterns and pro-inflammatory cytokine profiles. The functional architecture revealed in age-matched and sex-matched cohorts is not present in sibling-matched cohorts. We also show a strong association between temporal changes in microbiome composition and ASD phenotypes. In summary, we propose a framework to leverage multi-omic datasets from well-defined cohorts and investigate how the GBA influences ASD.

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Backward Population Synthesis: Mapping the Evolutionary History of Gravitational-wave Progenitors

K. Wong, K. Breivik, W. Farr, Rodrigo Luger

One promising way to extract information about stellar astrophysics from a gravitational-wave catalog is to compare the catalog to the outputs of stellar population synthesis modeling with varying physical assumptions. The parameter space of physical assumptions in population synthesis is high-dimensional and the choice of parameters that best represents the evolution of a binary system may depend in an as-yet-to-be-determined way on the system's properties. Here we propose a pipeline to simultaneously infer zero-age main-sequence properties and population synthesis parameter settings controlling modeled binary evolution from individual gravitational-wave observations of merging compact binaries. Our pipeline can efficiently explore the high-dimensional space of population synthesis settings and progenitor system properties for each system in a catalog of gravitational-wave observations. We apply our pipeline to observations in the third LIGO–Virgo Gravitational-Wave Transient Catalog. We showcase the effectiveness of this pipeline with a detailed study of the progenitor properties and population synthesis settings that produce mergers like the observed GW150914. Our pipeline permits a measurement of the variation of population synthesis parameter settings with binary properties, if any; we illustrate the possibility of such capability by presenting inferences for the recent GWTC-3 transient catalog that suggest that the stable mass transfer efficiency parameter may vary with primary black hole mass.

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P-175 Human cumulus cell telomere length and its association with assisted reproduction outcome

K. Kumar, D. Needleman, et al.

Study question:
Is there any relationship between the relative telomere length (RTL) within cumulus cells (CCs) and the outcome of assisted reproductive treatment using the corresponding oocyte?

Summary answer:
Lower RTLs in CCs were significantly associated with embryos chosen for transfer or cryopreservation. In contrast, embryos considered non-viable (discarded) tended to have higher RTLs.

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Code Comparison in Galaxy-scale Simulations with Resolved Supernova Feedback: Lagrangian versus Eulerian Methods

Chia-Yu Hu, Matthew C. Smith, Romain Teyssier, ..., R. Somerville, B. Burkart, Y. Liu, J. Forbes, et. al.

We present a suite of high-resolution simulations of an isolated dwarf galaxy using four different hydrodynamical codes: {\sc Gizmo}, {\sc Arepo}, {\sc Gadget}, and {\sc Ramses}. All codes adopt the same physical model which includes radiative cooling, photoelectric heating, star formation, and supernova (SN) feedback. Individual SN explosions are directly resolved without resorting to sub-grid models, eliminating one of the major uncertainties in cosmological simulations. We find reasonable agreement on the time-averaged star formation rates as well as the joint density-temperature distributions between all codes. However, the Lagrangian codes show significantly burstier star formation, larger supernova-driven bubbles, and stronger galactic outflows compared to the Eulerian code. This is caused by the behavior in the dense, collapsing gas clouds when the Jeans length becomes unresolved: gas in Lagrangian codes collapses to much higher densities than in Eulerian codes, as the latter is stabilized by the minimal cell size. Therefore, more of the gas cloud is converted to stars and SNe are much more clustered in the Lagrangian models, amplifying their dynamical impact. The differences between Lagrangian and Eulerian codes can be reduced by adopting a higher star formation efficiency in Eulerian codes, which significantly enhances SN clustering in the latter. Adopting a zero SN delay time reduces burstiness in all codes, resulting in vanishing outflows as SN clustering is suppressed.

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Improving Gradient Computation for Differentiable Physics Simulation with Contacts

Yaofeng Desmond Zhong, J. Han, Biswadip Dey, Georgia Olympia Brikis

Differentiable simulation enables gradients to be back-propagated through physics simulations. In this way, one can learn the dynamics and properties of a physics system by gradient-based optimization or embed the whole differentiable simulation as a layer in a deep learning model for downstream tasks, such as planning and control. However, differentiable simulation at its current stage is not perfect and might provide wrong gradients that deteriorate its performance in learning tasks. In this paper, we study differentiable rigid-body simulation with contacts. We find that existing differentiable simulation methods provide inaccurate gradients when the contact normal direction is not fixed - a general situation when the contacts are between two moving objects. We propose to improve gradient computation by continuous collision detection and leverage the time-of-impact (TOI) to calculate the post-collision velocities. We demonstrate our proposed method, referred to as TOI-Velocity, on two optimal control problems. We show that with TOI-Velocity, we are able to learn an optimal control sequence that matches the analytical solution, while without TOI-Velocity, existing differentiable simulation methods fail to do so.

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