Maho Nakata

29 papers A 2C 1Misc 3Journal 18Unranked 3
YearRankTypeTitle / Venue / Authors
2026 J jnl
Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials.
Trans. Mach. Learn. Res.
Cong Fu, Yuchao Lin, Zachary Krueger, Haiyang Yu, Maho Nakata, Jianwen Xie, Emine Küçükbenli, Xiaofeng Qian, Shuiwang Ji
2025 J jnl
Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials.
CoRR
Cong Fu, Yuchao Lin, Zachary Krueger, Haiyang Yu, Maho Nakata, Jianwen Xie, Emine Küçükbenli, Xiaofeng Qian, Shuiwang Ji
2025 J jnl
Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations.
CoRR
Yuchao Lin, Cong Fu, Zachary Krueger, Haiyang Yu, Maho Nakata, Jianwen Xie, Emine Küçükbenli, Xiaofeng Qian, Shuiwang Ji
2024 A conf
3D Molecular Geometry Analysis with 2D Graphs.
SDM
Zhao Xu, Yaochen Xie, Youzhi Luo, Xuan Zhang, Xinyi Xu, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji
2024 C conf
Evaluation of POSIT Arithmetic with Accelerators.
HPC Asia
Naohito Nakasato, Yuki Murakami, Fumiya Kono, Maho Nakata
2024 J jnl
Evaluation of POSIT Arithmetic with Accelerators.
CoRR
Naohito Nakasato, Yuki Murakami, Fumiya Kono, Maho Nakata
2023 J jnl
3D Molecular Geometry Analysis with 2D Graphs.
CoRR
Zhao Xu, Yaochen Xie, Youzhi Luo, Xuan Zhang, Xinyi Xu, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji
2023 Misc conf
Accelerating 128-bit Floating-Point Matrix Multiplication on FPGAs.
FCCM
Fumiya Kono, Naohito Nakasato, Maho Nakata
2023 J jnl
Accelerating 128-bit Floating-Point Matrix Multiplication on FPGAs.
CoRR
Fumiya Kono, Naohito Nakasato, Maho Nakata
2023 J jnl
PubChemQC B3LYP/6-31G*//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G* Calculations.
J. Chem. Inf. Model.
Maho Nakata, Toshiyuki Maeda
2023 J jnl
PubChemQC B3LYP/6-31G*//PM6 dataset: the Electronic Structures of 86 Million Molecules using B3LYP/6-31G* calculations.
CoRR
Maho Nakata, Toshiyuki Maeda
2021 J jnl
MPLAPACK version 1.0.0 user manual.
CoRR
Maho Nakata
2021 J jnl
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs.
CoRR
Zhao Xu, Youzhi Luo, Xuan Zhang, Xinyi Xu, Yaochen Xie, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji
2021 — conf
OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs.
NeurIPS Datasets and Benchmarks
Weihua Hu, Matthias Fey, Hongyu Ren, Maho Nakata, Yuxiao Dong, Jure Leskovec
2021 J jnl
OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs.
CoRR
Weihua Hu, Matthias Fey, Hongyu Ren, Maho Nakata, Yuxiao Dong, Jure Leskovec
2020 J jnl
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties.
J. Chem. Inf. Model.
Maho Nakata, Tomomi Shimazaki, Masatomo Hashimoto, Toshiyuki Maeda
2020 J jnl
White Paper from Workshop on Large-scale Parallel Numerical Computing Technology (LSPANC 2020): HPC and Computer Arithmetic toward Minimal-Precision Computing.
CoRR
Roman Iakymchuk, Daichi Mukunoki, Artur Podobas, Fabienne Jézéquel, Toshiyuki Imamura, Norihisa Fujita, Jens Huthmann, Shuhei Kudo, Yiyu Tan, Jens Domke, Kai Torben Ohlhus, Takeshi Fukaya, Takeo Hoshi, Yuki Murakami, Maho Nakata, Takeshi Ogita, Kentaro Sano, Taisuke Boku
2019 — ch.
Basics and Practice of Linear Algebra Calculation Library BLAS and LAPACK.
The Art of High Performance Computing for Computational Science, Vol. 1
Maho Nakata
2019 — ch.
Techniques Concerning Computation Accuracy.
The Art of High Performance Computing for Computational Science, Vol. 1
Shin'ichi Oishi, Yusuke Morikura, Kouta Sekine, Hisayasu Kuroda, Maho Nakata
2017 J jnl
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.
J. Chem. Inf. Model.
Maho Nakata, Tomomi Shimazaki
2012 Misc conf
A Fast Implementation of Matrix-matrix Product in Double-double Precision on NVIDIA C2050 and Application to Semidefinite Programming.
ICNC
Maho Nakata, Yasuyoshi Takao, Shigeho Noda, Ryutaro Himeno
2012 J jnl
Algorithm 925: Parallel Solver for Semidefinite Programming Problem having Sparse Schur Complement Matrix.
ACM Trans. Math. Softw.
Makoto Yamashita, Katsuki Fujisawa, Mituhiro Fukuda, Kazuhide Nakata, Maho Nakata
2012 J jnl
All about RIKEN Integrated Cluster of Clusters (RICC).
Int. J. Netw. Comput.
Maho Nakata
2012 A conf
High-performance general solver for extremely large-scale semidefinite programming problems.
SC
Katsuki Fujisawa, Hitoshi Sato, Satoshi Matsuoka, Toshio Endo, Makoto Yamashita, Maho Nakata
2012 — conf
Poster: MPACK 0.7.0: Multiple Precision Version of BLAS and LAPACK.
SC Companion
Maho Nakata
2012 J jnl
Strange behaviors of interior-point methods for solving semidefinite programming problems in polynomial optimization.
Comput. Optim. Appl.
Hayato Waki, Maho Nakata, Masakazu Muramatsu
2011 Misc conf
All about RICC: RIKEN Integrated Cluster of Clusters.
ICNC
Maho Nakata
2010 — conf
A numerical evaluation of highly accurate multiple-precision arithmetic version of semidefinite programming solver: SDPA-GMP, -QD and -DD.
CACSD
Maho Nakata
2007 J jnl
Large-scale semidefinite programs in electronic structure calculation.
Math. Program.
Mituhiro Fukuda, Bastiaan J. Braams, Maho Nakata, Michael L. Overton, Jerome K. Percus, Makoto Yamashita, Zhengji Zhao