Akihiro Kishimoto

Senior Solution Architect, NVIDIA

Joined

March 2018

Names

Akihiro Kishimoto

Emails

****@ie.ibm.com (Confirmed)

****@gmail.com (Confirmed)

****@ibm.com (Confirmed)

****@nvidia.com (Confirmed)

Personal Links

DBLP

Career & Education History

Senior Solution Architect

NVIDIA (nvidia.com)

2024 – Present

Researcher

International Business Machines (ibm.com)

2013 – 2024

Advisors, Relations & Conflicts

PhD Advisor

Martin Müller

2002 – 2005

Expertise

AI for chemistry/material discovery

2018 – Present

1998 – Present

Publications

Principles-Driven Machine Learning for UV Spectral Prediction
Hajime Shinohara, Akihiro Kishimoto, Hiroshi Kajino
- Submitted to ICLR 2026
- Readers: Everyone
Enabling Accurate and Interpretable Property Prediction with TDiMS in Large Molecules
Lisa Hamada, Akihiro Kishimoto, Junta Fuchiwaki, Kohei Miyaguchi, Hirose Masataka, Indra Priyadarsini, Seiji Takeda, Sina Klampt, Takao Moriyama
- AI4Mat-NeurIPS-2025 Poster
- Readers: Everyone
Enhancing UV Spectral Prediction through Auxiliary Task, Curriculum Learning, and Curvature Limitation
Hajime Shinohara, Akihiro Kishimoto, Hiroshi Kajino
- AI4Mat-NeurIPS-2025 Poster
- Readers: Everyone
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
Indra Priyadarsini, Vidushi Sharma, Seiji Takeda, Akihiro Kishimoto, Lisa Hamada, Hajime Shinohara
- ML4LMS Poster
- Readers: Everyone
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
Victor Yukio Shirasuna, Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Seiji Takeda, Akihiro Kishimoto
- ICML2024-AI4Science Poster
- Readers: Everyone
Multi-modal Foundation Model for Material Design
Seiji Takeda, Indra Priyadarsini, Akihiro Kishimoto, Hajime Shinohara, Lisa Hamada, Hirose Masataka, Junta Fuchiwaki, Daiju Nakano
- AI4Mat-2023 Poster
- Readers: Everyone
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
Akihiro Kishimoto, Hiroshi Kajino, Hirose Masataka, Junta Fuchiwaki, Indra Priyadarsini, Lisa Hamada, Hajime Shinohara, Daiju Nakano, Seiji Takeda
- AI4Mat-2023 Poster
- Readers: Everyone
Finding Sub-task Structure with Natural Language Instruction
Ryokan Ri, Yufang Hou, Radu Marinescu, Akihiro Kishimoto
- 13 Mar 2022 (modified: 05 May 2023)
- LNLS
- Readers: Everyone
Bandit Limited Discrepancy Search and Application to Machine Learning Pipeline Optimization
Akihiro Kishimoto, Djallel Bouneffouf, Radu Marinescu, Parikshit Ram, Ambrish Rawat, Martin Wistuba, Paulito Pedregosa Palmes, Adi Botea
- Published: 14 Jul 2021, Last Modified: 05 May 2023
- AutoML@ICML2021 Poster
- Readers: Everyone
Anytime Recursive Best-First Search for Bounding Marginal MAP.
Radu Marinescu, Akihiro Kishimoto, Adi Botea, Rina Dechter, Alexander T. Ihler
- 2019 (modified: 10 Nov 2022)
- AAAI2019
- Readers: Everyone

View all 25 publications

Co-Authors

View all 51 co-authors