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Stefan Solbrig

Publications and source records attributed to Stefan Solbrig.

16 recordsLinked to original sources

BITES: Balanced Individual Treatment Effect for Survival data

Estimating the effects of interventions on patient outcome is one of the key aspects of personalized medicine. Their inference is often challenged by the fact that the training data comprises only the outcome for the administered treatment, and not for alternative treatments (the so-called counterfactual outcomes). Several methods were suggested for this scenario based on observational data, i.e.~data where the intervention was not applied randomly, for both continuous and binary outcome variables. However, patient outcome is often recorded in terms of time-to-event data, comprising right-censored event times if an event does not occur within the observation period. Albeit their enormous importance, time-to-event data is rarely used for treatment optimization. We suggest an approach named BITES (Balanced Individual Treatment Effect for Survival data), which combines a treatment-specific semi-parametric Cox loss with a treatment-balanced deep neural network; i.e.~we regularize differences between treated and non-treated patients using Integral Probability Metrics (IPM). We show in simulation studies that this approach outperforms the state of the art. Further, we demonstrate in an application to a cohort of breast cancer patients that hormone treatment can be optimized based on six routine parameters. We successfully validated this finding in an independent cohort. BITES is provided as an easy-to-use python implementation.

stat.ME

Grid on QPACE 4

In 2020 we deployed QPACE 4, which features 64 Fujitsu A64FX model FX700 processors interconnected by InfiniBand EDR. QPACE 4 runs an open-source software stack. For Lattice QCD simulations we ported the Grid LQCD framework to support the ARM Scalable Vector Extension (SVE). In this contribution we discuss our SVE port of Grid, the status of SVE compilers and the performance of Grid. We also present the benefits of an alternative data layout of complex numbers for the Domain Wall operator.

hep-lat

Lattice QCD on upcoming Arm architectures

Recently Arm introduced a new instruction set called Scalable Vector Extension (SVE), which supports vector lengths up to 2048 bits. While SVE hardware will not be generally available until about 2021, we believe that future SVE-based architectures will have great potential for Lattice QCD. In this contribution we discuss key aspects of SVE and describe how we implemented SVE in the Grid Lattice QCD framework.

hep-lat

SVE-enabling Lattice QCD Codes

Optimization of applications for supercomputers of the highest performance class requires parallelization at multiple levels using different techniques. In this contribution we focus on parallelization of particle physics simulations through vector instructions. With the advent of the Scalable Vector Extension (SVE) ISA, future ARM-based processors are expected to provide a significant level of parallelism at this level.

cs.DC

Fully integrative data analysis of NMR metabolic fingerprints with comprehensive patient data: a case report based on the German Chronic Kidney Disease (GCKD) study

Omics data facilitate the gain of novel insights into the pathophysiology of diseases and, consequently, their diagnosis, treatment, and prevention. To that end, it is necessary to integrate omics data with other data types such as clinical, phenotypic, and demographic parameters of categorical or continuous nature. Here, we exemplify this data integration issue for a study on chronic kidney disease (CKD), where complex clinical and demographic parameters were assessed together with one-dimensional (1D) 1H NMR metabolic fingerprints. Routine analysis screens for associations of single metabolic features with clinical parameters, which requires confounding variables typically chosen by expert knowledge to be taken into account. This knowledge can be incomplete or unavailable. The results of this article are manifold. We introduce a framework for data integration that intrinsically adjusts for confounding variables. We give its mathematical and algorithmic foundation, provide a state-of-the-art implementation, and give several sanity checks. In particular, we show that the discovered associations remain significant after variable adjustment based on expert knowledge. In contrast, we illustrate that the discovery of associations in routine analysis can be biased by incorrect or incomplete expert knowledge in univariate screening approaches. Finally, we exemplify how our data integration approach reveals important associations between CKD comorbidities and metabolites. Moreover, we evaluate the predictive performance of the estimated models on independent validation data and contrast the results with a naive screening approach.

stat.AP

Loss-function learning for digital tissue deconvolution

The gene expression profile of a tissue averages the expression profiles of all cells in this tissue. Digital tissue deconvolution (DTD) addresses the following inverse problem: Given the expression profile $y$ of a tissue, what is the cellular composition $c$ of that tissue? If $X$ is a matrix whose columns are reference profiles of individual cell types, the composition $c$ can be computed by minimizing $\mathcal L(y-Xc)$ for a given loss function $\mathcal L$. Current methods use predefined all-purpose loss functions. They successfully quantify the dominating cells of a tissue, while often falling short in detecting small cell populations. Here we learn the loss function $\mathcal L$ along with the composition $c$. This allows us to adapt to application-specific requirements such as focusing on small cell populations or distinguishing phenotypically similar cell populations. Our method quantifies large cell fractions as accurately as existing methods and significantly improves the detection of small cell populations and the distinction of similar cell types.

q-bio.QM

QPACE 2 and Domain Decomposition on the Intel Xeon Phi

We give an overview of QPACE 2, which is a custom-designed supercomputer based on Intel Xeon Phi processors, developed in a collaboration of Regensburg University and Eurotech. We give some general recommendations for how to write high-performance code for the Xeon Phi and then discuss our implementation of a domain-decomposition-based solver and present a number of benchmarks.

cs.DC

iDataCool: HPC with Hot-Water Cooling and Energy Reuse

iDataCool is an HPC architecture jointly developed by the University of Regensburg and the IBM Research and Development Lab Böblingen. It is based on IBM's iDataPlex platform, whose air-cooling solution was replaced by a custom water-cooling solution that allows for cooling water temperatures of 70C/158F. The system is coupled to an adsorption chiller by InvenSor that operates efficiently at these temperatures. Thus a significant portion of the energy spent on HPC can be recovered in the form of chilled water, which can then be used to cool other parts of the computing center. We describe the architecture of iDataCool and present benchmarks of the cooling performance and the energy (reuse) efficiency.

cs.DC

Smearing and filtering methods in lattice QCD - a quantitative comparison

We systematically compare three filtering methods used to extract topological excitations from lattice gauge configurations, namely smearing, Laplace filtering and the filtered fermionic topological charge (with chirally improved fermions). Each of these techniques introduces ambiguities, like its parameter dependence. We show, however, that all these methods can be tuned to each other over a broad range of filtering levels and that they reveal very similar topological structures. For these common structures we find an interesting power-law relating the number and packing fraction of clusters of filtered topological charge.

hep-lat

Quantitative comparison of filtering methods in lattice QCD

We systematically compare filtering methods used to extract topological excitations (like instantons, calorons, monopoles and vortices) from lattice gauge configurations, namely APE-smearing and spectral decompositions based on lattice Dirac and Laplace operators. Each of these techniques introduces ambiguities, which can invalidate the interpretation of the results. We show, however, that all these methods, when handled with care, reveal very similar topological structures. Hence, these common structures are free of ambiguities and faithfully represent infrared degrees of freedom in the QCD vacuum. As an application we discuss an interesting power-law for the clusters of filtered topological charge.

hep-lat

Cooling, smearing and Dirac eigenmodes - A comparison of filtering methods in lattice gauge theory

Starting from thermalized quenched SU(2) configurations we apply cooling or iterated smearing, respectively, to produce sequences of gauge configurations with less and less fluctuations. We compute the low lying spectrum and eigenmodes of the lattice Dirac operator and compare them for the two types of smoothing. Many characteristic properties of the eigensystem remain invariant for all configurations in our sequences. We also find that cooling and smearing produce surprisingly similar results. Both observations could be indications that the two filtering methods do not drastically alter the long range structures in the gauge field.

hep-lat

Low-lying spectrum for lattice Dirac operators with twisted mass

We analyze the low-lying spectrum and eigenmodes of lattice Dirac operators with a twisted mass term. The twist term expels the eigenvalues from a strip in the complex plane and all eigenmodes obtain a non-vanishing matrix element with gamma-5. For a twisted Ginsparg-Wilson operator the spectrum is located on two arcs in the complex plane. Modes due to non-trivial topological charge of the underlying gauge field have their eigenvalues at the edges of these arcs and obey a remnant index theorem. For configurations in the confined phase we find that the twist mainly affects the zero modes, while the bulk of the spectrum is essentially unchanged.

hep-lat

Topologically non-trivial field configurations - interplay of vortices and Dirac eigenmodes

Gluon field configurations with non-trivial topology like instantons, magnetic monopoles and center vortices play a crucial role in QCD and, in particular, for the spontaneous breaking of chiral symmetry. Moreover, center vortices are strongly correlated with confinement. We present evidence, that there is a deep connection between the topology of gauge fields and center vortices. We use the chirally improved lattice Dirac operator to compute eigenvectors and eigenvalues of various lattice gauge field configurations. Removing vortices from thermalized configurations also removes the topological content of the gauge field. As a consistency check, we apply random changes to the raw configurations.

hep-lat

Remnant index theorem and low-lying eigenmodes for twisted mass fermions

We analyze the low-lying spectrum and eigenmodes of lattice Dirac operators with a twisted mass term. The twist term expels the eigenvalues from a strip in the complex plane and all eigenmodes obtain a non-vanishing matrix element with gamma-5. For a twisted Ginsparg-Wilson operator the spectrum is located on two arcs in the complex plane. Modes due to non-trivial topological charge of the underlying gauge field have their eigenvalues at the edges of these arcs and obey a remnant index theorem. For configurations in the confined phase we find that the twist mainly affects the zero modes, while the bulk of the spectrum is essentially unchanged.

hep-lat

Center vortices and Dirac eigenmodes in SU(2) lattice gauge theory

We study the interplay between Dirac eigenmodes and center vortices in SU(2) lattice gauge theory. In particular we focus on vortex-removed configurations and compare them to an ensemble of configurations with random changes of the link variables. We show that removing the vortices destroys all zero modes and the near zero modes are no longer coupled to topological structures. The Dirac spectrum for vortex-removed configurations in many respects resembles a free spectrum thus leading to a vanishing chiral condensate. Configurations with random changes leave the topological features of the Dirac eigensystem intact. We finally show that smooth center vortex configurations give rise to zero modes and topological near zero modes.

hep-lat

Dependence of Dirac eigenmodes on boundary conditions for SU(2) lattice gauge theory

We analyze zero modes of the Dirac operator for SU(2) lattice gauge theory. We find that the zero modes are strongly localized in all 4 directions. The position of these lumps depends on the boundary conditions we use for the Dirac operator. We compare periodic boundary conditions and anti-periodic boundary conditions and find that the position of the zero modes jumps for about one third of the configurations.

hep-lat