multi-topic, publish from gh-pages branch

site/data/cloud-edge/papers/SC-2024-digest.yaml

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+venue: SC
+year: 2024
+papers:
+- title: "Pushing the Limit of Quantum Mechanical Simulation to the Raman Spectra of\
+    \ a Biological System with 100 Million Atoms"
+  authors:
+  - Honghui Shang
+  - Ying Liu 0055
+  - Zhikun Wu
+  - Zhenchuan Chen
+  - Jinfeng Liu 0004
+  - Meiyue Shao
+  - Yingzhou Li
+  - Bowen Kan
+  - Huimin Cui
+  - Xiaobing Feng 0002
+  - Yunquan Zhang
+  - Donald G. Truhlar
+  - Hong An
+  - Xiao He 0004
+  - Jinlong Yang 0003
+  reason: "Gordon Bell-class result scaling ab initio Raman spectroscopy to 100 million atoms, pushing quantum-chemical simulation well beyond prior limits."
+
+- title: "Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System"
+  authors:
+  - Kylee Santos
+  - Stan G. Moore
+  - Tomas Oppelstrup
+  - Amirali Sharifian
+  - Ilya Sharapov
+  - Aidan P. Thompson
+  - Delyan Z. Kalchev
+  - Danny Perez
+  - Robert Schreiber
+  - Scott Pakin
+  - Edgar A. Leon
+  - James H. Laros III
+  - Michael James 0002
+  - Sivasankaran Rajamanickam
+  reason: "Demonstrates how a Cerebras wafer-scale engine shatters the classical MD timescale barrier, enabling microsecond-regime atomistic simulation at unprecedented speed."
+
+- title: "Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per\
+    \ Day"
+  authors:
+  - Jianxiong Li
+  - Boyang Li
+  - Zhuoqiang Guo
+  - Mingzhen Li 0001
+  - Enji Li
+  - Lijun Liu
+  - Guojun Yuan
+  - Zhan Wang 0003
+  - Guangming Tan
+  - Weile Jia
+  reason: "Achieves 149 ns/day for large-scale deep-potential MD, combining neural-network potentials and HPC engineering to approach DFT accuracy at AIMD-like scale."
+
+- title: "Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale\
+    \ Ab Initio Molecular Dynamics Using MP2 Potentials"
+  authors:
+  - Ryan Stocks
+  - Jorge L. Galvez Vallejo
+  - Fiona C. Y. Yu
+  - Calum Snowdon
+  - Elise Palethorpe
+  - Jakub Kurzak
+  - Dmytro Bykov
+  - Giuseppe M. J. Barca
+  reason: "First demonstration of MP2-level AIMD at the million-electron and exaFLOP/s scale, a landmark in quantum chemistry on supercomputers."
+
+- title: "Fire-Flyer AI-HPC: A Cost-Effective Software-Hardware Co-Design for Deep\
+    \ Learning"
+  authors:
+  - Wei An
+  - Xiao Bi
+  - Guanting Chen 0002
+  - Shanhuang Chen
+  - Chengqi Deng
+  - Honghui Ding
+  - Kai Dong 0003
+  - Qiushi Du
+  - Wenjun Gao
+  - Kang Guan
+  - Jianzhong Guo
+  - Yongqiang Guo
+  - Zhe Fu 0009
+  - Ying He 0018
+  - Panpan Huang
+  - Jiashi Li
+  - Wenfeng Liang
+  - Xiaodong Liu 0021
+  - Xin Liu 0126
+  - Yiyuan Liu
+  - Yuxuan Liu 0019
+  - Shanghao Lu
+  - Xuan Lu
+  - Xiaotao Nie
+  - Tian Pei
+  - Junjie Qiu
+  - Hui Qu
+  - Zehui Ren
+  - Zhangli Sha
+  - Xuecheng Su
+  - Xiaowen Sun
+  - Yixuan Tan
+  - Minghui Tang
+  - Shiyu Wang
+  - Yaohui Wang
+  - Yongji Wang
+  - Ziwei Xie
+  - Yiliang Xiong
+  - Yanhong Xu
+  - Shengfeng Ye
+  - Shuiping Yu
+  - Yukun Zha
+  - Liyue Zhang
+  - Haowei Zhang
+  - Mingchuan Zhang
+  - Wentao Zhang
+  - Yichao Zhang 0004
+  - Chenggang Zhao
+  - Yao Zhao 0005
+  - Shangyan Zhou
+  - Shunfeng Zhou
+  - Yuheng Zou
+  reason: "Full system co-design report from DeepSeek's AI-HPC cluster showing 40% cost reduction vs. NVIDIA DGX through network/software optimizations, with production evidence at scale."
+
+- title: "MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows\
+    \ with Direct Preference Optimization"
+  authors:
+  - Gautham Dharuman
+  - Kyle Hippe
+  - Alexander Brace
+  - Sam Foreman
+  - Väinö Hatanpää
+  - Varuni Katti Sastry
+  - Huihuo Zheng
+  - Logan T. Ward
+  - Servesh Muralidharan
+  - Archit Vasan
+  - Bharat Kale
+  - Carla M. Mann
+  - Heng Ma
+  - Yun-Hsuan Cheng
+  - Yuliana Zamora
+  - Shengchao Liu
+  - Chaowei Xiao
+  - Murali Emani
+  - Tom Gibbs
+  - Mahidhar Tatineni
+  - Deepak Canchi
+  - Jerome Mitchell
+  - Koichi Yamada
+  - Maria Garzaran 0001
+  - Michael E. Papka
+  - Ian T. Foster
+  - Rick Stevens
+  - Anima Anandkumar
+  - Venkatram Vishwanath
+  - Arvind Ramanathan
+  reason: "First exaFLOP/s AI science workflow, integrating multimodal protein design with DPO alignment at supercomputing scale across Frontier and Aurora."
+
+- title: "ORBIT: Oak Ridge Base Foundation Model for Earth System Predictability"
+  authors:
+  - Xiao Wang 0004
+  - Siyan Liu
+  - Aristeidis Tsaris
+  - Jong-Youl Choi
+  - Ashwin M. Aji
+  - Ming Fan
+  - Wei Zhang 0261
+  - Junqi Yin
+  - Moetasim Ashfaq
+  - Dan Lu 0001
+  - Prasanna Balaprakash
+  reason: "Introduces a large foundation model for Earth system prediction trained on Frontier, demonstrating how exascale AI infrastructure enables climate-scale spatiotemporal modeling."
+
+- title: "Democratizing AI: Open-source Scalable LLM Training on GPU-based Supercomputers"
+  authors:
+  - Siddharth Singh
+  - Prajwal Singhania
+  - Aditya K. Ranjan
+  - John Kirchenbauer
+  - Jonas Geiping
+  - Yuxin Wen
+  - Neel Jain
+  - Abhimanyu Hans
+  - Manli Shu
+  - Aditya Tomar
+  - Tom Goldstein
+  - Abhinav Bhatele
+  reason: "Presents an open-source framework for LLM training at thousands-of-GPU scale, systematically analyzing throughput, memory, and communication trade-offs on leadership supercomputers."
+
+- title: "Exploring GPU-to-GPU Communication: Insights into Supercomputer Interconnects"
+  authors:
+  - Daniele De Sensi
+  - Lorenzo Pichetti
+  - Flavio Vella
+  - Tiziano De Matteis
+  - Zebin Ren
+  - Luigi Fusco
+  - Matteo Turisini
+  - Daniele Cesarini
+  - Kurt Lust
+  - Animesh Trivedi
+  - Duncan Roweth
+  - Filippo Spiga
+  - Salvatore Di Girolamo
+  - Torsten Hoefler
+  reason: "Comprehensive empirical study of GPU-to-GPU communication across six major supercomputers, revealing bottlenecks and bandwidth characteristics relevant to all distributed AI/HPC workloads."
+
+- title: "Network-Offloaded Bandwidth-Optimal Broadcast and Allgather for Distributed\
+    \ AI"
+  authors:
+  - Mikhail Khalilov
+  - Salvatore Di Girolamo
+  - Marcin Chrapek
+  - Rami Nudelman
+  - Gil Bloch
+  - Torsten Hoefler
+  reason: "Achieves bandwidth-optimal collective communication by offloading broadcast and allgather to SmartNICs, directly benefiting large-scale distributed deep learning."
+
+- title: "A Workflow Roofline Model for End-to-End Workflow Performance Analysis"
+  authors:
+  - Nan Ding 0006
+  - Brian Austin
+  - Yang Liu 0179
+  - Neil Mehta
+  - Steven Farrell
+  - Johannes P. Blaschke
+  - Leonid Oliker
+  - Hai Ah Nam
+  - Nicholas J. Wright
+  - Samuel Williams 0001
+  reason: "Extends the Roofline model to full end-to-end HPC workflows, enabling systematic performance diagnosis across compute, I/O, and data movement stages."
+
+- title: "GVARP: Detecting Performance Variance on Large-Scale Heterogeneous Systems"
+  authors:
+  - Xin You 0001
+  - Zhibo Xuan
+  - Hailong Yang 0002
+  - Zhongzhi Luan
+  - Yi Liu 0013
+  - Depei Qian 0002
+  reason: "Identifies and diagnoses GPU performance variance at scale on heterogeneous supercomputers, an increasingly critical issue for reproducibility and efficiency."
+
+- title: "A Digital Twin Framework for Liquid-cooled Supercomputers as Demonstrated\
+    \ at Exascale"
+  authors:
+  - Wesley Brewer
+  - Matthias Maiterth
+  - Vineet Kumar
+  - Rafal P. Wojda
+  - Sedrick Bouknight
+  - Jesse Hines
+  - Woong Shin
+  - Scott Greenwood
+  - David Grant
+  - Wesley Williams
+  - Feiyi Wang
+  reason: "First deployment of a digital twin for a liquid-cooled exascale system (Frontier), enabling real-time thermal and power management with validated empirical results."
+
+- title: "Doubling Graph Traversal Efficiency to 198 TeraTEPS on the Supercomputer\
+    \ Fugaku"
+  authors:
+  - Junya Arai
+  - Masahiro Nakao
+  - Yuto Inoue
+  - Kanto Teranishi
+  - Koji Ueno
+  - Keiichiro Yamamura
+  - Mitsuhisa Sato
+  - Katsuki Fujisawa
+  reason: "Sets a new world record for graph traversal at 198 TTEPS on Fugaku through novel communication and load-balancing techniques, a landmark Graph500 result."
+
+- title: "MegaMmap: Blurring the Boundary Between Memory and Storage for Data-Intensive\
+    \ Workloads"
+  authors:
+  - Luke Logan
+  - Anthony Kougkas
+  - Xian-He Sun
+  reason: "Novel storage abstraction that transparently tiered memory and storage hierarchies, delivering near-DRAM performance for data-intensive HPC and AI workloads."