ナノ構造情報のフロンティア開拓 - 材料科学の新展開

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主要発表論文
A02 公募研究

A02 公募研究1期

  • R. Tomioka, T. Suzuki, K. Hayashi, and H. Kashima, Low-rank tensor denoising and recovery via convex optimization. In J. Suykens, M. Signoretto, & A. Argyriou (editors), Regularization, Optimization, Kernels, and Support Vector Machines. Chapman and Hall/CRC, 313-336 (2014).
  • J. Komiyama, J. Honda, H. Kashima, and H. Nakagawa, Regret lower bound and optimal algorithm in dueling bandit problem. In Proceedings of the 28nd Annual Conference on Learning Theory (COLT), (2015). to appear.
  • J. Honda and A. Takemura, Optimality of Thompson Sampling for Gaussian Bandits Depends on Priors. AISTATS2014, JMLR Workshop and Conference Proceedings 33, 375-383 (2014).
  • J. Honda and A. Takemura, "Non-Asymptotic Analysis of a New Bandit Algorithm for Semi-Bounded Rewards," accepted to Journal of Machine Learning Research (2015).
  • J. Honda, Exact Asymptotics for Random Coding Error Probability. to appear in ISIT2015 (2015).
  • J. Komiyama, J. Honda and H. Nakagawa, Optimal Regret Analysis of Thompson Sampling in Stochastic Multi-armed Bandit Problem with Multiple Plays. to appear in ICML2015, (2015).
  • J. Komiyama, J. Honda, H. Kashima and H. Nakagawa, Regret Lower Bound and Optimal Algorithm in Dueling Bandit Problem. accepted to COLT2015, (2015).
  • M. Shiga, V. Tangkaratt, M. Sugiyama, Direct Conditional Probability Density Estimation with Sparse Feature Selection. Machine Learning, 2015.（採択、オンライン版 doi:10.1007/s10994-014-5472-x）
  • M. Shiga, H. Mamitsuka, Non-negative Matrix Factorization with Auxiliary Information on Overlapping Groups. IEEE Transactions on Knowledge and Data Engineering, 27(6), 1615-1628 (2015).
  • T. Ogawa, S. Kitaoka, A. Kuwabara, C. A. J. Fisher, H. Moriwake, An alternative description of mass transfer through thick oxide films. Scr. Mater., 100, 66-69 (2015).
  • T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, "An alternative description of mass transfer through thick oxide films," J. Phys. Chem. C, 118 (41), 23675-23681, 2014.
  • K. Yuge, Y. Koyama, A. Kuwabara, I. Tanaka, "Surface design of alloy protection against CO-poisoning from first principles," J. Phys. Condens. Mat., 26 (35), 355006 (2014).
  • H. Moriwake, A. Konishi, T. Ogawa, K. Fujimura, C. A. J. Fisher, A. Kuwabara, T. Shimizu, S. Yasui, M. Itoh, Ferroelectricity in wurtzite structure simple chalcogenide. Appl. Phys. Lett., 104 (24), 242909 (2014).
  • C. A. J. Fisher, A. Kuwabara, H. Moriwake, H. Oki, K. Kohama, Y. Ikuhara, Systematic calculations of On (n=1 to 6) polytypes of LiCoO2. Phys. Status Solidi R, 8 (6), 545-548 (2014).
  • T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, K. Matsunaga, K. Tsuruta, S. Kitaoka, A density functional study of vacancy formation in grain boundaries of undoped alpha-alumina. Acta Mater. 69, 365-371 (2014).
  • H. Taniguchi, H. Moriwake, A. Kuwabara, T. Okamura, T. Yamamoto, R. Okazaki, M. Itoh, I. Terasaki, Photo-induced change of dielectric response in BaCoSiO4 stuffed tridymite. J. Appl. Phys. 115 (16), 164103 (2014).
  • Y. Murakami-Tonami, S. Kishida, I. Takeuchi, Y. Katou, J. M. Maris, H. Ichikawa, Y. Kondo, Y. Sekido, K. Shirahige, H. Murakami, K. Kadomatsu, Inactivation of SMC2 shows a synergistic lethal response in MYCN-amplified neuroblastoma cells. Cell Cycle, 13 1 -17 (2014).
  • H. Sasaki, I. Takeuchi, M. Okada, R. Sawada, K. Kanie, Y. Kiyota, H. Honda, R. Kato, Label-Free Morphology-Based Prediction of Multiple Differentiation Potentials of Human Mesenchymal Stem Cells for Early Evaluation of Intact Cells. PLoS ONE, 9 e93952 (2014).
  • N. Isu, T. Hasegawa, I. Takeuchi, A. Morimoto, Quantitative analysis of time-course development of motion sickness by in-vehicle video watching. Display 35, 90-97 (2014).
  • Y. Guo, I. Takeuchi, S. Karnan, T. Miyata, K. Ohshima, M. Seto, Array CGH profiling of immunohistochemical subgroups of diffuse large B-cell lymphoma shows distinct genomic alterations. Cancer Science 105, 481-489 (2014).
  • F. Matsuoka, I. Takeuchi, H. Agata, H. Kagami, H. Shiono, Y. Kiyota, H. Honda, R. Kato, Characterization of time-course morphological features for e cient prediction of osteogenic potential in human mesenchymal stem cells. Biotechnology and Bioengineering 111, 1430- 1439 (2014).
  • S. Suzumura, K. Ogawa, M. Sugiyama, I. Takeuchi, Outlier Path: A Homotopy Algorithm for Robust SVM. Proceedings of International Conference on Machine Learning, (2014).
  • 池野 豪一，溝口 照康，第一原理計算の基礎とEELS計算への応用. 顕微鏡51号，in print (2015).
  • H. Ikeno, Ab-initio Multiplet Calculations of Fe-L2,3 X-ray Absorption Spectra in LiFePO4 and FePO4. Mater. Trans., accepted (4 pages) (2015).

A02 公募研究2期

  • X. Li and D. M. Packwood. Substrate-molecule decoupling induced by self-assembly – implications for graphene nanoribbon fabrication. AIP Adv. 8, 045117 (2018)
  • D. M. Packwood and T. Hitosugi. Rapid prediction of molecule arrangements on metal surfaces via Bayesian optimization. Appl. Phys. Express. 10, 065502 (2017)
  • D. M. Packwood, P. Han, and T. Hitosugi. Chemical and entropic control on the molecular self-assembly process. Nat. Commun. 8, 14463 (2017)
  • D. M. Packwood, P. Han, and T. Hitosugi. State-space reduction and equivalence class sampling for a molecular self-assembly model. Roy. Soc. Open. Sci. 3, 150681 (2016)
  • J. Honda, A. Takemura, Non-Asymptotic Analysis of a New Bandit Algorithm for Semi-Bounded Rewards. Journal of Machine Learning Research 16, 3721-3756 (2015).
  • W. Cowan, J. Honda, M. N. Katehakis, Normal Bandits of Unknown Means and Variances. Journal of Machine Learning Research, accepted.
  • J. Komiyama, J. Honda, H. Nakagawa, Regret Lower Bound and Optimal Algorithm in Finite Stochastic Partial Monitoring. Advances in Neural Information Processing Systems 28, 1792-1800 (2015).
  • J. Komiyama, J. Honda, H. Nakagawa, Optimal Regret Analysis of Thompson Sampling in Stochastic Multi-armed Bandit Problem with Multiple Plays. In Proceedings of The 32nd International Conference on Machine Learning (ICML'15), 1152-1161 (2015).
  • J. Komiyama, J. Honda, H. Kashima, H. Nakagawa, Regret Lower Bound and Optimal Algorithm in Dueling Bandit Problem. In Proceedings of The 28th Annual Conference on Learning Theory (COLT'15), 1141-1154 (2015).
  • J. Komiyama, J. Honda, H. Nakagawa, Copeland Dueling Bandit Problem: Regret Lower Bound, Optimal Algorithm, and Computationally Efficient Algorithm. In Proceedings of the 33rd International Conference on Machine Learning (ICML'16), 1235-1244 (2016).
  • J. Komiyama, J. Honda, and A. Takeda, Position-based Multiple-play Multi-armed Bandit Problem with Unknown Position Bias. Advances in Neural Information Processing Systems 30, 4998-5008 (2017).
  • K. Kanamori, K. Toyoura, J. Honda, K. Hattori, A. Seko, M. Karasuyama, K. Shitara, M. Shiga, A. Kuwabara, I. Takeuchi, Exploring a potential energy surface by machine learning for characterizing atomic transport. Physical Review B 97, 125124 (2018).
  • L. Xu, J. Honda, M. Sugiyama, A fully adaptive algorithm for pure exploration in linear bandits. In Proceedings of The 21st International Conference on Artificial Intelligence and Statistics (AISTATS'18), 843-851 (2018).
  • P. Xiong, F. D. Romero, Y, Hosaka, H. Guo, T. Saito, W. -T. Chen, Y. -C. Chuang, H. -S. Sheu, G. McNally, J. P. Attfield, and Y. Shimakawa, Charge Disproportionation in Sr0.5Bi0.5FeO3 Containing Unusually High Valence Fe3.5+, Inorg. Chem. 57, 843-848 (2018).
  • F. D. Romero, Y. Hosaka, N. Ichikawa, T. Saito, G. McNally, J. P. Attfield, and Y. Shimakawa, Charge and spin order in Ca0.5Bi0.5FeO3: Idle spins in the charge disproportionated state, Phys. Rev. B, 96, 064434 (2017).
  • Y. Hosaka, F. D. Romero, N. Ichikawa, T. Saito, and Y. Shimakawa, Successive Charge Transitions of Unusually High-Valence Fe3.5+: Charge Disproportionation and Intermetallic Charge Transfer, Angew. Chem. Int. Ed. 56, 4243-4246 (2017).
  • H. Guo, Y. Hosaka, F. D. Romero, T. Saito, N. Ichikawa, and Y. Shimakawa, Two Charge Ordering Patterns in the Topochemically Synthesized Layer-Structured Perovskite LaCa2Fe3O9 with Unusually High Valence Fe3.67+, Inorg. Chem. 56, 3695-3701 (2017).
  • T. Saito, S. Zhang, D. Khalyavin, P. Manuel, J. P. Attfield, and Y. Shimakawa, G-type antiferromagnetic order in the metallic oxide LaCu3Cr4O12, Phys. Rev. B (Rapid) 95, 041109 (2017).
  • S. Garcia-Martin, K. Manabe, E. Urones-Garrote, D. Avila-Brande, N. Ichikawa, and Y. Shimakawa, Crystal structures at atomic resolution of the perovskite-related GdBaMnFeO5 and its oxidized GdBaMnFeO6, Inorg. Chem. 56, 1412-1217 (2017).
  • H. Guo, Y. Hosaka, H. Seki, T. Saito, N. Ichikawa, and Y. Shimakawa, 2:1 Charge disproportionation in perovskite-structure oxide La1/3Ca2/3FeO3 with unusually-high-valence Fe3.67+, J. Solid State Chem. 246, 199-202 (2017).
  • H. Hosaka, N. Ichikawa, T. Saito, J. P. Attfield, and Y. Shimakawa, Charge and spin order in the perovskite CaFe0.5Mn0.5O3: Charge disproportionation behavior of randomly arranged Fe4+. Phys. Rev. B 94, 104429 (2016).
  • P. Xiong, H. Seki, H. Guo, Y. Hosaka, T. Saito, M. Mizumaki, and Y. Shimakawa, Geometrical Spin Frustration of Unusually High Valence Fe5+ in the Double Perovskite La2LiFeO6. Inorg. Chem. 55, 6218-6222 (2016).
  • 東郷 政一, 中平 敦, 水熱合成したオリビン材料の微構造におけるアルコール添加の影響. 粉体および粉末冶金 64 (8), 423-427（2017）.
  • 飯田 桃子,吉川 晃平,東郷 政一,中平 敦, 再構築プロセスを利用したNi置換層状複水酸化物の合成と評価. 粉体および粉末冶金. 64(11), 595-600(2017).
  • Synthesis and Evaluation of Olivine Material Coated with Carbon, Masakazu Togo, Atsushi Nakahira, The International Conference on Composite Material, Polymer Science and Engineering（CMPSE2017）. MATEC Web of Conferences 130, 01001 (2017) 、doi:10.1051/matecconf/201713001001
  • Synthesis and Evaluation of Olivine Nanosheets from Layered Ammonium Iron Phosphate Monohydrate, Masakazu Togo, Atsushi Nakahira, Journal of Material Sciences & Engineering, 6(6), (2018) doi:10.4172/2169-0022.1000403
  • Hidekazu Ikeno, Spherical Bessel transform via exponential sum approximation of spherical Bessel function. J. Comput. Phys. 355, 426-435 (2018).
  • Hidekazu Ikeno and Teruyasu Mizoguchi, Basics and applications of ELNES calculations. Microscopy 2017, 1-23 (2017).