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UID:submissions.pasc-conference.org_PASC24_sess151@linklings.com
SUMMARY:Poster Session and Reception
DESCRIPTION:Poster\n\nP39 / ACMP11 - Performance Regression Unit Testing f
 or High Performance Computing Packages in Julia\n\nThis research focuses o
 n the integration of performance testing into the unit testing phase for H
 igh-Performance Computing (HPC) software, emphasizing its importance in en
 suring optimal implementations and diagnosing performance regressions. In 
 traditional unit testing, functional aspects are assess...\n\n\nDaniel Ser
 gio Vega Rodríguez (Università della Svizzera italiana), Samuel Omlin (ETH
  Zurich / CSCS), and Juraj Kardoš and Olaf Schenk (Università della Svizze
 ra italiana)\n---------------------\nP36 / ACMP08 - Mixed-Precision in Hig
 h-Order Methods: Studying the Impact of Lower Numerical Precisions on the 
 ADER-DG Algorithm\n\nWe study the impact of using mixed and variable numer
 ical precision in the high-order ADER-DG method for solving partial differ
 ential equations. The impact of precision on both the overall convergence 
 order, as well as specific sections of the code are examined. This lets us
  judge how sensible each ...\n\n\nMarc Marot-Lassauzaie and Michael Bader 
 (Technical University of Munich)\n---------------------\nP25 - GPU Benchma
 rking on Fully Occupied Accelerated Cluster Nodes via Molecular Dynamics S
 oftware Packages\n\nNowadays, the usage of GPU accelerators in scientific 
 computing is rapidly increasing. In various fields such as molecular and a
 strophysics simulations, geophysics, and artificial intelligence models, m
 odern graphic cards show significant improvement in computational speed an
 d energy efficiency. Mul...\n\n\nPlamen Dobrev, Ivan Pribec, and Gerald Ma
 thias (Leibniz Supercomputing Centre)\n---------------------\nP20 - Fast I
 nference of Cosmology from High Resolution Maps Using Deep Learning\n\nOng
 oing galaxy surveys like the Dark Energy Survey are designed to observe th
 e large-scale structure of the Universe using a number of cosmological pro
 bes, such as weak gravitational lensing and galaxy clustering. Conventiona
 lly, constraints on the cosmological parameters are calculated by comparin
 g...\n\n\nArne Thomsen (ETH Zurich); Tomasz Kacprzak (ETH Zurich, Swiss da
 ta science center); Peter Harrington (National Energy Research Scientific 
 Computing Center); Agnes Ferte (SLAC); and Alexandre Refregier (ETH Zurich
 )\n---------------------\nP53 - Workflow Automation for Verified High-Perf
 ormance Molecular-Continuum Flow Simulations\n\nThe Macro-Micro-Coupling T
 ool (MaMiCo) is an advanced CFD simulation framework enabling scientists t
 o seamlessly integrate continuum mechanics and molecular dynamics simulati
 ons for comprehensive fluid behavior analyses on multiple scales. Due to t
 he labor-intensive and error-prone process of manual...\n\n\nJohannes Mich
 aelis and Olaf Schenk (Università della Svizzera italiana)\n--------------
 -------\nACMP06 - Finding Optimistic Upper Bounds for Task Graph Throughpu
 t on Heterogeneous Systems Using Linear Programming\n\nIn this extended ab
 stract, we present a model -- inspired by previous work in the data flow c
 ommunity -- for finding optimistic upper bounds on the throughput of task 
 graphs executed on heterogeneous systems. This model interprets the execut
 ion of such graphs as flow networks with additional resourc...\n\n\nStephe
 n Nicholas Swatman (University of Amsterdam, CERN) and Ana-Lucia Varbanesc
 u (University of Twente)\n---------------------\nP12 / ACMP01 - DeCovarT, 
 a Multidimensional Probalistic Model for the Deconvolution of Heterogeneou
 s Transcriptomic Samples\n\nAlthough bulk transcriptomic analyses have gre
 atly contributed to a better understanding of complex diseases, their sens
 ibility is hampered by the highly heterogeneous cellular compositions of b
 iological samples. To address this limitation, computational deconvolution
  methods have been designed to a...\n\n\nBastien Chassagnol (University of
  Paris VI, ardata); Grégory Nuel (University of Paris VI); and Etienne Bec
 ht (INSERM)\n---------------------\nP24 - Fully Spectral Dynamo Simulation
 s for Heterogeneous Computing\n\nOur CFD framework QuICC, based on a fully
  spectral method, has been successfully used for various dynamo simulation
 s in spherical and Cartesian geometries.\nIt runs efficiently on a few tho
 usands of cores using a 2D data distribution based on a distributed memory
  paradigm (MPI).\nIn order to better ha...\n\n\nGiacomo Gastiglioni, Phili
 ppe Marti, and Dmitrii Tolmachev (ETH Zurich); Daniel Ganellari (ETH Zuric
 h / CSCS); and Andrew Jackson (ETH Zurich)\n---------------------\nP27 - A
  GT4Py-Based Multi-Node Standalone Python Implementation of the ICON Dynam
 ical Core\n\nWe introduce a prototype atmospheric model, based on Icosahed
 ral Non-hydrostatic (ICON), which illustrates that indeed entire models ca
 n be ported to Python while still attaining performance portability. We re
 use many of the stencils – written with a Python-based domain-specific lan
 guage GT4Py...\n\n\nMagdalena Luz, Abishek Gopal, and Chia Rui Ong (ETH Zu
 rich); Christoph Müller, Daniel Hupp, and Nina Burgdorfer (MeteoSwiss); Ni
 coletta Farabullini (ETH Zurich); Fabian Bösch (ETH Zurich / CSCS); Anurag
  Dipankar (ETH Zurich); Mauro Bianco and William Sawyer (ETH Zurich / CSCS
 ); Samuel Kellerhals and Jonas Jucker (ETH Zurich); Till Ehrengruber, Enri
 que González Paredes, and Hannes Vogt (ETH Zurich / CSCS); Peter Kardos (E
 TH Zurich); Rico Häuselmann (ETH Zurich / CSCS); and Xavier Lapillonne (Me
 teoSwiss)\n---------------------\nP19 - Fast and Scalable Algorithms for S
 elected Matrix Inversions\n\nThe inversion of sparse linear systems gives 
 rise to dense matrices. Their computation poses not only a computational b
 ut also a memory bottleneck. Numerous applications from various fields req
 uire, however, only particular, i.e. selected entries of the complete inve
 rse. Applications range from area...\n\n\nLisa Gaedke-Merzhäuser (Universi
 tà della Svizzera italiana); Vincent Maillou, Alexandros N. Ziogas, and Ma
 thieu Luisier (ETH Zurich); and Olaf Schenk (Università della Svizzera ita
 liana)\n---------------------\nP23 - FraNetG – Fracture Network Growth\n\n
 The phase-field method has emerged as a sophisticated technique for simula
 ting crack initiation, propagation, and coalescence. This approach employs
  a damage field, termed the phase field, to represent the material's state
  from intact to fully fractured. The phase-field approach is well known to
  yie...\n\n\nAlena Kopanicakova (Brown University, Università della Svizze
 ra italiana); Edoardo Pezzulli (ETH Zurich); Patrick Zulian (Università de
 lla Svizzera italiana, UniDistance Suisse); Hardik Kothari, Toby Simpson, 
 and Maria Nestola (Università della Svizzera italiana); Thomas Driesner (E
 TH Zurich); and Rolf Krause (Università della Svizzera italiana, UniDistan
 ce Suisse)\n---------------------\nP17 - Enhancing Hydrodynamic Simulation
 s with SERGHEI: Integrating New Modules for Comprehensive Environmental Mo
 deling\n\nThe field of computational hydrodynamics has witnessed a remarka
 ble evolution, enabling the simulation of complex environmental phenomena 
 with unprecedented precision and efficiency. At the forefront of this adva
 ncement stands SERGHEI, a state-of-the-art framework for hydrological, env
 ironmental, an...\n\n\nDaniel Caviedes-Voullième (Forschungszentrum Jülich
 ) and Mario Morales-Hernández, Sergio Martínez-Aranda, Pablo Vallés, and P
 ilar García-Navarro (University of Zaragoza)\n---------------------\nP34 -
  Ionbeam: Scalable IoT Streaming Infrastructure for Meteorology\n\nThe Eur
 opean Centre for Medium-Range Weather Forecasts’ (ECMWF) relies on extensi
 ve meteorological observations, sourced from ground-based stations, aircra
 ft, and satellites. Low-cost Internet-of-Things (IoT) devices present an o
 pportunity to access observations at higher frequency, higher spa...\n\n\n
 Thomas Hodson, Ulrike Falk, and Simon Smart (ECMWF)\n---------------------
 \nACMP10 - Optimized Finite Volume Methods Solver Allows for Real-Sized Tu
 mor Simulations\n\nMulti-scale agent-based cell simulators sets daunting c
 omputational challenges in bioinformatics, only feasible by supercomputing
  resources. These simulators consider evolving microenvironmental conditio
 ns and cell interactions. By specifying rules at the cell level, researche
 rs can explore complex ...\n\n\nJose Luis Estragués Muñoz, Carlos Álvarez,
  and Daniel Jimenez (Barcelona Supercomputing Center); Alfonso Valencia (B
 arcelona Supercomputing Center, ICREA); and Arnau Montagud (Barcelona Supe
 rcomputing Center)\n---------------------\nP16 - Enhancing Aerosol Predict
 ions on the Global Scale with Particle-Resolved Modeling and Machine Learn
 ing\n\nAtmospheric aerosols play an important role in several key processe
 s related to atmospheric chemistry and physics. However, to limit computat
 ional expense, current regional and global chemical transport models need 
 to grossly simplify the representation of aerosols, thereby introducing er
 rors and un...\n\n\nNicole Riemer (University of Illinois Urbana-Champaign
 ), Zhonghua Zheng (University of Manchester), Jeffrey H. Curtis (Universit
 y of Illinois Urbana-Champaign), Justin L. Wang (WorldQuant), Po-Lun Ma (P
 acific Northwest National Laboratory), Xiaohong Liu (Texas A&M University)
 , and Matthew West (University of Illinois Urbana-Champaign)\n------------
 ---------\nP30 - Implementation and Benchmarking of a New Radiation Module
  in the WarpX Particle-In-Cell Code\n\nThe interaction of ultra-intense fe
 mtosecond lasers with plasmas is of interest for a variety of applications
 , including the acceleration of ultra-short, highly energetic electron bun
 ches and the realization of compact secondary radiation sources. In all th
 ese scenarios, radiative processes are eith...\n\n\nLuca Fedeli, Thomas Cl
 ark, and Pierre Bartoli (CEA); Axel Huebl, Rémi Lehe, and Jean-Luc Vay (La
 wrence Berkeley National Laboratory); and Henri Vincenti (CEA)\n----------
 -----------\nP11 - The Coulomb Perturbed Fragmentation (CPF) Method\n\nCor
 related electronic structure calculations enable accurate determination of
  the physicochemical properties of complex molecular systems. Nevertheless
 , the computational cost of these calculations sets constraints on their a
 bility to be scaled up. The Fragment Molecular Orbital (FMO) method is wid
 e...\n\n\nFazeleh Sadat Kazemian, Jorge L. Galvez Vallejo, and Giuseppe Ba
 rca (Australian National University)\n---------------------\nP05 - Advanci
 ng Flood Simulations with TRITON: A Multi-GPU 2D Hydrodynamic Modeling Cod
 e\n\nTRITON, the Two-dimensional Runoff Inundation Toolkit for Operational
  Needs, represents a major advancement in hydrodynamic flood modeling. Thi
 s open-source, multi-GPU 2D model, accessible at https://code.ornl.gov/hyd
 ro/triton, is tailored for extreme hydrological events in a changing envir
 onment. U...\n\n\nMario Morales-Hernandez (University of Zaragoza), Suders
 han Gangrade (Oak Ridge National Laboratory), Daniel Lassiter (University 
 of Virginia), Michael Kelleher and Ganesh Ghimire (Oak Ridge National Labo
 ratory), Javier Fernández-Pato (EEAD-CSIC), and Shih-Chieh Kao (Oak Ridge 
 National Laboratory)\n---------------------\nP07 - Automatic Generation of
  Block-Structured Grids on Complex Ocean Domains for High Performance Simu
 lation\n\nClimate change research increasingly relies on interdisciplinary
  scientific studies utilizing advanced computational methods. For modeling
  climate compartments, the choice of the underlying grid is difficult; the
 refore, unstructured grids are often preferred. An alternative are block-s
 tructured grid...\n\n\nSara Faghih-Naini (ECMWF), Daniel Zint (New York Un
 iversity), Vadym Aizinger and Jonathan Schmalfuß (University of Bayreuth),
  and Roberto Grosso and Julian Stahl (Friedrich-Alexander-Universität Erla
 ngen-Nürnberg)\n---------------------\nACMP04 - Efficient Compression for 
 Weather and Climate Data\n\nWeather and climate simulations produce petaby
 tes of high-resolution data that are later analyzed by researchers to unde
 rstand climate change or severe weather. We propose an efficient data comp
 ression method dedicated to weather and climate data. It consists of two c
 omponents: one base compressor u...\n\n\nLangwen Huang and Torsten Hoefler
  (ETH Zurich)\n---------------------\nP09 - Contribution of Latent Variabl
 es to Emulate the Physics of the IPSL Model\n\nAtmospheric general circula
 tion models include two main distinct components: the dynamical one solves
  the Navier-Stokes equations to provide a mathematical representation of a
 tmospheric movements while the physical one includes parameterizations rep
 resenting small-scale phenomena such as turbulence ...\n\n\nSégolène Cross
 ouard (Laboratoire des Sciences du Climat et de l’Environnement, CEA); Mas
 a Kageyama and Mathieu Vrac (Laboratoire des Sciences du Climat et de l’En
 vironnement, CNRS); Thomas Dubos (Laboratoire de Météorologie Dynamique, É
 cole Polytechnique); and Soulivanh Thao and Yann Meurdesoif (Laboratoire d
 es Sciences du Climat et de l’Environnement, CEA)\n---------------------\n
 P46 - Scaling Laws for Machine-Learned Reconstruction\n\nMachine Learning 
 (ML) methods have been successfully applied to various High Energy Physics
  (HEP) problems, such as particle identification, event reconstruction, je
 t tagging, and anomaly detection. However, the relationship between the mo
 del size, i.e., the number of model parameters, and the physi...\n\n\nEric
  Wulff (CERN), Joosep Pata (National Institute of Chemical Physics and Bio
 physics), and Maria Girone (CERN)\n---------------------\nP32 - InterTwin 
 - An Interdisciplinary Digital Twin Engine for Science\n\nThe interTwin pr
 oject, funded by the European Commission, is at the forefront of leveragin
 g 'Digital Twins' across various scientific domains, with a particular emp
 hasis on earth observation and physics. This initiative encompasses core m
 odules designed to address the intricacies of data-driven and ...\n\n\nMat
 teo Bunino, Kalliopi Tsolaki, Alexander Zoechbauer, Maria Girone, and Sofi
 a Vallecorsa (CERN)\n---------------------\nP47 - Sculpting Precision: Unv
 eiling the Impact of eXplainable Features and Magnitudes in Neural Network
  Pruning\n\nIn the domain of Machine Learning (ML), models are celebrated 
 for their high accuracy, however, integrating them into resource-constrain
 ed embedded systems poses a formidable challenge. This study empirically d
 emonstrates that traditional magnitude-based pruning techniques, though ef
 fective in compr...\n\n\nJamil Gafur (The University of Iowa, National Ren
 ewable Energy Laboratory) and Steve Goddard (The University of Iowa)\n----
 -----------------\nP29 - ICON-HAM: Modelling Aerosol-Cloud Interactions at
  High Resolution on GPUs\n\nAtmospheric aerosols are a key component to un
 derstand the Earth’s climate, as they have a strong influence on clouds, w
 hich in turn strongly impact the global radiative budget. The ICON-HAM mod
 el couples ICON (Zängl et al., 2015) to the aerosol module HAM (Tegen et a
 l., 2019). The aerosols ar...\n\n\nMikael Stellio (ETH Zurich, MeteoSwiss)
 ; Sylvaine Ferrachat (ETH Zurich); Xavier Lapillonne (MeteoSwiss); and Ulr
 ike Lohmann (ETH Zurich)\n---------------------\nP37 - Parallel Implementa
 tion of Mesh-Free Operators for 2D and 3D PDEs on a Sphere for Atmospheric
  Dynamics\n\nThis project explores a mesh-free method for the approximatio
 ns of Numerical Operators for 2D and 3D partial differential equations use
 d in atmospheric dynamics. Compactly Supported Radial Basis Functions were
  chosen as the category of Mesh Free method for discretization. The primar
 y objective of th...\n\n\nLakshmi Aparna Devulapalli (Università della Svi
 zzera italiana) and William Barton Sawyer (ETH Zurich / CSCS)\n-----------
 ----------\nP52 - Waveform Relaxation for Atmosphere-Ocean-Sea Ice Couplin
 g in the EC-Earth Single Column Model\n\nEarth system models and general c
 irculation models couple many submodels in time and space. As such, numeri
 cal errors are introduced at the geometrical interfaces between components
 . The magnitude of the numerical error in time can be estimated using iter
 ative coupling algorithms, so-called Schwarz ...\n\n\nValentina Schüller a
 nd Philipp Birken (Lund University); Eric Blayo (Université Grenoble Alpes
 ); and Florian Lemarié (INRIA, Université Grenoble Alpes)\n---------------
 ------\nP01 - Accelerating the Computation of Koopmans Functionals Using t
 he SIRIUS Library\n\nThe evaluation of Koopmans functionals is a subject o
 f common interest for the scientific community, as it has been proved that
  by using them it is possible to correct DFT theory predictions with accur
 acy in line with the state-of-the-art many-body perturbation theory (GW), 
 which on the other hand i...\n\n\nGiovanni Consalvo Cistaro (EPFL), Nicola
  Colonna and Iurii Timrov (Paul Scherrer Institute), Anton Kozhevnikov (ET
 H Zurich / CSCS), and Nicola Marzari (EPFL)\n---------------------\nACMP02
  - Demographic Aware Hyperparameter Optimization for Cancer\n\nThe prelimi
 nary work presented here evaluates the robustness and bias of ML models by
  probing HPO behavior under different demographic conditions, which is cri
 tical for the development of clinically-usable methods. By examining the d
 ifferent hyperparameter distributions for a transformer based model...\n\n
 \nRylie Weaver (Argonne National Laboratory, Claremont Graduate University
 )\n---------------------\nP18 - Exact Conservation Laws for Neural Network
  Integrators of Dynamical Systems\n\nWe consider the construction of neura
 l network surrogates for the solution of differential equations that descr
 ibe the time evolution of physical systems. In contrast to other problems 
 that are tackled by machine learning, in this case usually a lot is known 
 about the system at hand: for many dynami...\n\n\nEike Mueller (University
  of Bath)\n---------------------\nP13 - A Distributed LogStore Design with
  Multi-Reader, Multi-Writer Semantics for Streaming Applications\n\nIn thi
 s work we describe the design and implementation of a distributed logstore
  that can be used for storing events from streaming applications such as T
 elemetry and Satellite Remote Sensing. The logstore provides multi-writer,
  multi-reader (MWMR) semantics. It also totally orders events using time..
 .\n\n\nAparna Sasidharan, Anthony Kougas, and Xianhe Sun (Illinois Institu
 te of Technology)\n---------------------\nP45 - Scaled Life Event Extracti
 on using High Performance Computing for Acute Veteran Suicide Risk Predict
 ion\n\nPredictive models of suicide risk have focused on predictors extrac
 ted from structured data found in electronic health records (EHR), with li
 mited consideration of negative life events (LE) expressed in unstructured
  clinical text such as housing instability, marital troubles, etc. Additio
 nally, ther...\n\n\nDestinee Morrow, Rafael Zamora-Resendiz, and Mahamad M
 ahmoud (Lawrence Berkeley National Laboratory); Jean Beckham and Nathan Ki
 mbrel (VA Durham Health Care); Benjamin McMahon (Los Alamos National Labor
 atory); and Silvia Crivelli (Lawrence Berkeley National Laboratory)\n-----
 ----------------\nP40 - A Performance-Portable All-Scale Atmospheric Model
  Framework\n\nWe provide an overview of activities and results in the deve
 lopment of a performance-portable atmospheric model for research applicati
 ons and numerical weather prediction. The model framework considers a full
  Python implementation with the GT4Py (GridTools for Python) domain-specif
 ic library encompa...\n\n\nNicolai Krieger (ETH Zurich), Christian Kühnlei
 n (ECMWF), Stefano Ubbiali (ETH Zurich), Till Ehrengruber (ETH Zurich / CS
 CS), Lukas Papritz and Sara Faghih-Naini (ECMWF), Gabriel Vollenweider (ET
 H Zurich), Loïc Maurin (Meteo-France), and Heini Wernli (ETH Zurich)\n----
 -----------------\nP28 - GT4Py: A Python Framework for the Development of 
 High-Performance Weather and Climate Applications\n\nGT4Py is a Python fra
 mework for weather and climate applications simplifying the development an
 d maintenance of high-performance codes in prototyping and production envi
 ronments. GT4Py separates model development from hardware architecture dep
 endent optimizations, instead of intermixing both togethe...\n\n\nMauro Bi
 anco and Till Ehrengruber (ETH Zurich / CSCS); Nina Burgdorfer (MeteoSwiss
 ); Nicoletta Farabullini, Abishek Gopal, Samuel Kellerhans, and Peter Kard
 os (ETH Zurich); and Enrique Paredes, Rico Häuselmann, Felix Thaler, Hanne
 s Vogt, Philip Müller, and Christos Kotsalos (ETH Zurich / CSCS)\n--------
 -------------\nP42 - A Python Dynamical Core for Operational Numerical Wea
 ther Prediction\n\nNumerical weather prediction is vital for applications 
 like population warnings and energy predictions. However, adapting forecas
 ts to diverse hardware poses challenges. MeteoSwiss relies on the ICON mod
 el up to a one km resolution, initially ported to GPUs using OpenACC. Whil
 e enabling GPU use, Ope...\n\n\nChristoph Müller, Daniel Hupp, and Nina Bu
 rgdorfer (MeteoSwiss); Abishek Gopal and Nicoletta Farabullini (Center for
  Climate Systems Modeling (C2SM)); Till Ehrengruber (ETH Zurich / CSCS); S
 amuel Kellerhals and Magdalena Luz (Center for Climate Systems Modeling (C
 2SM)); William Sawyer (ETH Zurich / CSCS); Matthias Röthlin (MeteoSwiss); 
 Enrique G. Paredes (ETH Zurich / CSCS); Benjamin Weber (MeteoSwiss); Hanne
 s Vogt and Mauro Bianco (ETH Zurich / CSCS); Carlos Osuna (MeteoSwiss); Ch
 ristina Schnadt and Anurag Dipankar (Center for Climate Systems Modeling (
 C2SM)); and Xavier Lapillonne (MeteoSwiss)\n---------------------\nP35 - M
 achine Learning Emulator of the Radiation Solver in the ICON Climate Model
 \n\nThe computationally demanding radiative transfer parameterization is a
  prime candidate for machine learning (ML) emulation.\nIn this project, we
  develop an ML-based radiative parameterization.\nA random forest (RF) is 
 used as a baseline method, with the European Centre for Medium-Range Weath
 er Forecas...\n\n\nGuillaume Bertoli (ETH Zurich)\n---------------------\n
 P21 - Fast Simulations of Next-Generation Radio Cosmological Surveys: A Fo
 rward-Modeling Pipeline of Neutral Hydrogen Maps for SKA and HIRAX\n\nIn t
 he last century, astronomical breakthroughs, particularly on Dark Matter a
 nd Dark Energy, have reshaped our understanding of the Universe. Despite c
 omprising 95% of the Universe, these enigmatic components remain mysteriou
 s. Upcoming radio astronomical surveys, such as SKA and HIRAX, will promis
 ...\n\n\nLuis Fernando Machado Poletti Valle (ETH Zurich)\n---------------
 ------\nP44 / ACMP03 - Scalable Simulations of Resistive Memory Devices: A
  Dynamical Monte Carlo Approach\n\nResistive random access memories (ReRAM
 ) are expected to play a prominent role in modern computer architectures d
 ue to their low cost, simple structure, and unique functionality. The long
 -range atomic movements inside these devices, which occur over extended ti
 mescales under applied fields, can be a...\n\n\nAlexander Maeder, Manasa K
 aniselvan, Marko Mladenović, Mathieu Luisier, and Alexandros Nikolaos Ziog
 as (ETH Zurich)\n---------------------\nP06 - Atlas as a Unified Data Stru
 cture Interface for Computation on Heterogeneous Architectures\n\nAt ECMWF
 , the Integrated Forecasting System (IFS) is undergoing an incremental cod
 e refactoring aimed at running the forecast on heterogeneous computing arc
 hitectures. One strategy is using the open-source and in-house developed A
 tlas library, which provides data structures, memory management and pa...\
 n\n\nSlavko Brdar, Willem Deconinck, and Michael Lange (ECMWF)\n----------
 -----------\nP03 - Additively Preconditioned Trust Region Strategies for M
 achine Learning\n\nIn our work we adopt a novel variant of the “Additively
  Preconditioned Trust-Region Strategy” (APTS) to train neural networks (NN
 s). APTS is based on a right preconditioned Trust-Region (TR) method, whic
 h utilizes an additive \ndomain-decomposition-based preconditioner. In the
  context of ...\n\n\nSamuel Cruz (Università della Svizzera italiana, UniD
 istance Suisse); Ken Trotti (Università della Svizzera italiana); Alena Ko
 paničáková (Brown University, Università della Svizzera italiana); and Rol
 f Krause (Università della Svizzera italiana, UniDistance Suisse)\n-------
 --------------\nP08 - Complete Asynchronous Task-Based Implementation of a
  Particle-In-Cell Code: Performance Studies and Benchmark\n\nIn this work,
  a cutting-edge full implementation of task-based programming paradigms ap
 plied to a complete particle-in-cell code is shown. The core of the implem
 entation has been based on the algorithm of the particle-in-cell code Smil
 ei (https://smileipic.github.io/Smilei/), although a complete cod...\n\n\n
 Juan José Silva Cuevas (Maison de la Simulation)\n---------------------\nP
 38 - Performance Characterisation of Software for Lattice Quantum Field Th
 eory Beyond the Standard Model\n\nLattice Quantum Chromodynamics (QCD) is 
 a computationally demanding field that has driven many innovations in the 
 High-Performance Computing space. Beyond the Standard Model (BSM) physics 
 introduces additional degrees of freedom that significantly increase the c
 omplexity of software and the difficul...\n\n\nEd Bennett (Swansea Univers
 ity); Luigi Del Debbio and Ryan Hill (University of Edinburgh); Jong-Wan L
 ee (Institute for Basic Sciences); Julian Lenz, Biagio Lucini, and Maurizi
 o Piai (Swansea University); Andrew Sunderland (Science and Technology Fac
 ilities Council); and Davide Vadacchino (University of Plymouth)\n--------
 -------------\nP43 - Quo Vadis: Helping Applications Manage On-Node Resour
 ces on Modern Systems\n\nScientific discovery is increasingly enabled by h
 eterogeneous\nhardware that includes multiple processor types, deep memory
 \nhierarchies, and heterogeneous memories. To effectively utilize this\nha
 rdware, computational scientists must compose their applications\nusing a 
 combination of programming models...\n\n\nEdgar A. Leon (Lawrence Livermor
 e National Laboratory) and Samuel K. Gutierrez (Los Alamos National Labora
 tory)\n---------------------\nP22 - FFT-Accelerated Polynomial Transforms 
 for Fully Spectral Simulations\n\nOne of the most time-consuming parts of 
 our CFD framework QuICC is the computation of the physical to spectral spa
 ce transformations. In spherical geometry, this transformation can be deco
 mposed into three main parts: Fourier Transform and Spherical Harmonics Tr
 ansform for angular parts and Jones-Wo...\n\n\nDmitrii Tolmachev, Philippe
  Marti, and Giacomo Castiglioni (ETH Zurich); Daniel Ganellari (ETH Zurich
  / CSCS); and Andrew Jackson (ETH Zurich)\n---------------------\nP41 - Pr
 obabilistic Weather Forecasting through Latent Space Perturbations of Mach
 ine Learning Emulators\n\nThe intrinsic variability of the atmospheric sys
 tem is historically reproduced by ensembles of forecasts based on numerica
 l weather prediction. However, the computational cost of running such ense
 mbles based on perturbed initial conditions is prohibitive. Recent advance
 s in machine learning (ML)-bas...\n\n\nSimon Adamov (ETH Zurich, MeteoSwis
 s); Sebastian Schemm (ETH Zurich); Oliver Fuhrer (MeteoSwiss); and Reto Kn
 utti (ETH Zurich)\n---------------------\nP14 - DynaHGraph: Learning Hidde
 n Relationships in Dynamic Graphs\n\nDynamic graphs, whose topologies are 
 defined by a time-evolving set of nodes or entities and corresponding edge
 s or relationships between such entities, are an important field of study 
 across many scientific domains.  Often, it is desirable to learn graph top
 ologies when nodes and edges in the graph...\n\n\nKurtis Shuler and Lekha 
 Patel (Sandia National Laboratories)\n---------------------\nP49 - The Tas
 k-Based GPU-Enabled Distributed Eigensolver available in DLA-Future\n\nDLA
 -Future implements an efficient GPU-enabled distributed eigenvalue solver 
 using asynchronous methods based on the C++ std::execution API. Using a ta
 sk-based approach reduces the number of synchronization points and allows 
 for simple overlapping of communication and computation which helps improv
 e...\n\n\nJohn Biddiscombe, Alberto Invernizzi, Rocco Meli, Auriane Reverd
 ell, Mikael Simberg, and Raffaele Solcà (ETH Zurich / CSCS)\n-------------
 --------\nP33 - Inviscid Dynamo Simulation Using QuICC\n\nEarth’s magnetic
  field is believed to be generated in the metallic outer core through a pr
 ocess known as the geodynamo. Direct numerical simulation (DNS) of the geo
 dynamo has successfully reproduced many features of the Earth’s field. How
 ever, even the state-of-the-art simulations have a...\n\n\nLonghui Yuan, A
 ndrew Jackson, Philippe Marti, and Jiawen Luo (ETH Zurich)\n--------------
 -------\nP31 - Improving Chest X-ray Image Classification via Parallelized
  Generative Neural Architecture Search\n\nExplore GenNAS for chest X-ray c
 lassification in lung diseases, leveraging novel parallel training methods
  for enhanced accuracy and efficiency. Medical image classification for pu
 lmonary pathologies from chest X-rays is traditionally time-consuming. Gen
 NAS, using GPT-4's generative capabilities, au...\n\n\nFelix Mejia (Indust
 rial University of Santander), John Anderson Garcia Henao (University of B
 ern), Carlos Barrio (Industrial University of Santander), and Michell Rive
 ill (Université Côte d’Azur)\n---------------------\nACMP09 - On-Line Trac
 king of Tropical Cyclones in a Climate Model on a Given Radius Around its 
 Path\n\nWe discuss the implementation of two added functionalities to the 
 ICON weather and climate model: time dependent output regions for variable
 s stored on grid cell centers and an on-line version of an existing off-li
 ne tracking algorithm for tropical cyclones (TCs).\n\n\nThibault Meier (ET
 H Zurich)\n---------------------\nP50 - Towards Linear-Scaling Density Fun
 ctional Theory on Real Space Grids\n\nDesign structures of semiconductor c
 ircuits have shrunk to the lengthscale of a few nanometers. Despite that, 
 systems so far have been too large to predict the electronic structure of 
 realistic nano devices with an atom model description as accurate as densi
 ty functional theory (DFT). DFT eigenvalue...\n\n\nPaul F. Baumeister and 
 Shigeru Tsukamoto (Forschungszentrum Jülich)\n---------------------\nP51 -
  Tuning Atmospheric Turbulence Parameters with Machine Learning Surrogates
 \n\nParameterizations of subgrid-scale (SGS) processes, like cloud microph
 ysics, radiation, or turbulence, cause considerable uncertainty in numeric
 al climate and weather models at various  spatiotemporal scales. Tuning th
 e involved model parameters is challenging, given the immense computationa
 l cost o...\n\n\nDana Grund, Sebastian Schemm, and Siddhartha Mishra (ETH 
 Zurich) and Oliver Fuhrer (MeteoSwiss)\n---------------------\nP02 - Accur
 ate Machine Learning Force Fields via Experimental and Simulation Data Fus
 ion\n\nIn molecular dynamics, Machine Learning potentials (MLPs) have seen
  tremendous success when trained bottom-up on ab initio forces and energie
 s. MLPs enable simulation times out of reach for ab initio computations at
  accuracies out of reach for classical force fields. However, due to the u
 nderlying a...\n\n\nSebastien Röcken and Julija Zavadlav (Technical Univer
 sity of Munich)\n---------------------\nP15 - Enabling Message-Driven Arch
 itecture Evaluation for the Extreme Heterogeneity Era with MOSAIC\n\nMassi
 ve parallelism and extreme heterogeneity are key to enabling futuristic ex
 ascale high-performance computing (HPC). Parallelism usually involves a sh
 ared-memory model with hardware-based cache-coherence mechanisms that enfo
 rce atomicity, ensuring transparent data movement and memory consistency..
 ..\n\n\nPatricia Gonzalez-Guerrero and Anastasiia Butko (Lawrence Berkeley
  National Laboratory); Chris Neely (AMD); and Farzad Fatollahi-Fard, Jordi
  Wolfson-Pou, Mario Vega, Thom Popovici, and John Shalf (Lawrence Berkeley
  National Laboratory)\n---------------------\nACMP05 - Efficient, Portable
 , Massively Parallel Free-Space Solvers for the Poisson Equation\n\nVico e
 t al. (2016) suggest a fast algorithm for computing volume potentials whic
 h is of benefit to the beam and plasma physics communities, as they requir
 e the solution of Poisson’s equation with free-space boundary conditions. 
 The standard method to solve the free-space Poisson equation is to...\n\n\
 nSonali Mayani (Paul Scherrer Institute, ETH Zurich); Antoine Cerfon (New 
 York University, Type One Energy); Matthias Frey (University of St Andrews
 ); Veronica Montanaro (ETH Zurich); Sriramkrishnan Muralikrishnan (Forschu
 ngszentrum Jülich); and Andreas Adelmann (Paul Scherrer Institute, ETH Zur
 ich)\n---------------------\nP04 - Advancing Fault Tolerance in Graph Proc
 essing Engines Based on Total Order Multicast\n\nData for many problem dom
 ains are naturally well represented as graphs, and graph analytics has thu
 s become an important tool in many areas of business and science alike. In
  order to support increasingly large data sets and thus graph with increas
 ingly large sets of vertices and edges, scalable grap...\n\n\nEkkehard Ste
 inmacher, Fernando Pedone, Olaf Schenk, and Patrick Eugster (Università de
 lla Svizzera italiana)\n---------------------\nACMP07 - High Performance C
 omputing Derived Biological Multiplex Network Uncovers Distinct Pathways U
 nderlying Opioid and Nicotine Addiction\n\nLeveraging High-Performance Com
 puting (HPC) for biological network generation, key insights into the gene
 tic and epigenetic mechanisms supporting opioid and nicotine addition have
  been uncovered. Using distributed network generation software on the Fron
 tier supercomputer, the authors processed 700 s...\n\n\nMatthew Lane (Univ
 ersity of Tennessee, Oak Ridge National Laboratory)\n---------------------
 \nP26 - GPU-Accelerated Linear-Response for DFT+Hubbard Using the SIRIUS L
 ibrary\n\nElectronic-structure methods have been indispensable in material
 s science, especially on the study of existing and the discovery of novel 
 materials. Linear-response (LR) algorithms, a computationally intensive st
 ep compared to the self-consistent cycle, are widely present in electronic
 -structure cod...\n\n\nGiannis D. Savva (EPFL), Iurii Timrov and Nicola Co
 lonna (Paul Scherrer Institute), Anton Kozhevnikov (ETH Zurich / CSCS), an
 d Nicola Marzari (EPFL)\n---------------------\nP48 - Simulations of Giant
  Impacts: The Importance of High Resolution\n\nGiant impacts (GI) form the
  last stage of planet formation and play a key role in determining many as
 pects like the final structure of planetary systems and the masses and com
 positions of its constituents. A common choice for numerically solving the
  equations of motion is the Smoothed Particle Hydro...\n\n\nThomas Meier (
 University of Zurich); Christian Reinhardt (University of Zurich, Universi
 ty of Bern); and Douglas Potter and Joachim Stadel (University of Zurich)\
 n---------------------\nP10 - Controlling Parallel CFD Simulations in Juli
 a from C/C++/Fortran Programs with libtrixi\n\nWith libtrixi we present a 
 software library to control complex Julia code from a main program written
  in a different language. Specifically, libtrixi provides an API to Trixi.
 jl, a Julia package for adaptive numerical simulations of conservation law
 s, used to accurately predict naturally occurring p...\n\n\nBenedict Geihe
  (University of Cologne); Michael Schlottke-Lamkemper (RWTH Aachen Univers
 ity, High-Performance Computing Center Stuttgart); and Gregor Gassner (Uni
 versity of Cologne)
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