Online multiple kernel learning (OMKL) has provided an attractive performance in nonlinear function learning tasks. Leveraging a random feature approximation, the major drawback of OMKL, known as the curse of dimensionality, has been recently alleviated. In this paper, we introduce a new research problem, termed (stream-based) active multiple kernel learning (AMKL), in which a learner is allowed to label selected data from an oracle according to a selection criterion. This is necessary in many real-world applications as acquiring true labels is costly or time-consuming. We prove that AMKL achieves an optimal sublinear regret O( √ T ), implying that the proposed selection criterion indeed avoids unuseful labelrequests. Furthermore, we propose AMKL with an adaptive kernel selection (AMKL-AKS) in which irrelevant kernels can be excluded from a kernel dictionary 'on the fly'. This approach can improve the efficiency of active learning as well as the accuracy of a function approximation. Via numerical tests with various real datasets, it is demonstrated that AMKL-AKS yields a similar or better performance than the best-known OMKL, with a smaller number of labeled data.

This work examines the viability of matrix completion methods as cost-effective alternatives to full nuclear Hessians for calculating quantum and variational effects in chemical reactions. The harmonic variety-based matrix completion (HVMC) algorithm, developed in a previous study (https://doi.org/10.1063/5.0018326), exploits the low-rank character of the polynomial expansion of potential energy to recover, using a small sample, vibrational frequencies (square roots of nuclear Hessian eigenvalues) constituting the reaction path. These frequencies are essential for calculating rate coefficients using variational transition state theory with multidimensional tunneling (VTST-MT). HVMC performance is examined for four SN2 reactions and five hydrogen transfer reactions, with each H-transfer reaction consisting of at least one vibrational mode strongly coupled to the reaction coordinate. HVMC is robust and captures zero-point energies, vibrational free energies, zero-curvature tunneling, and adiabatic ground state and free energy barriers as well as their positions on the reaction coordinate. For medium to large reactions involving H-transfer, with the exception of the most complex Ir catalysis system, less than 35% of total eigenvalue information is necessary for accurate recovery of key VTST-MT observables.

Online federated learning (OFL) is a promising framework to learn a sequence of global functions using distributed sequential data at local devices. In this framework, we first introduce a single kernel-based OFL (termed S-KOFL) by incorporating the random-feature (RF) approximation, online gradient descent (OGD), and federated averaging (FedAvg) properly. However, it is nontrivial to develop a communication-efficient method with multiple kernels. One can construct a multi-kernel method (termed vM-KOFL) by following the extension principle in the centralized counterpart. This vanilla method is not practical as the communication overhead grows linearly with the size of a kernel dictionary. Moreover, this problem is not addressed via the existing communication-efficient techniques in federated learning such as quantization or sparsification. Our major contribution is to propose a novel randomized algorithm (named eM-KOFL), which can enjoy the advantage of multiple kernels while having a similar communication overhead with S-KOFL. It is theoretically proved that eM-KOFL yields the same asymptotic performance as vM-KOFL, i.e., both methods achieve an optimal sublinear regret bound. Mimicking the key principle of eM-KOFL efficiently, pM-KOFL is presented. Via numerical tests with real datasets, we demonstrate that pM-KOFL can yield the same performances as vM-KOFL and eM-KOFL on various online learning tasks while having the same communication overhead as S-KOFL. These suggest the practicality of the proposed pM-KOFL.

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Named entities in the biomedical domain are often written using a Noun Phrase (NP) along with a coordinating conjunction such as 'and' and 'or'. In addition, repeated words among named entity mentions are frequently omitted. It is often difficult to identify named entities. Although various Named Entity Recognition (NER) methods have tried to solve this problem, these methods can only deal with relatively simple elliptical patterns in coordinated NPs. We propose a new NER method for identifying non-elliptical entity mentions with simple or complex ellipses using linguistic rules and an entity mention dictionary. The GENIA and CRAFT corpora were used to evaluate the performance of the proposed system. The GENIA corpus was used to evaluate the performance of the system according to the quality of the dictionary. The GENIA corpus comprises 3434 non-elliptical entity mentions in 1585 coordinated NPs with ellipses. The system achieves 92.11% precision, 95.20% recall, and 93.63% F-score in identification of non-elliptical entity mentions in coordinated NPs. The accuracy of the system in resolving simple and complex ellipses is 94.54% and 91.95%, respectively. The CRAFT corpus was used to evaluate the performance of the system under realistic conditions. The system achieved 78.47% precision, 67.10% recall, and 72.34% F-score in coordinated NPs. The performance evaluations of the system show that it efficiently solves the problem caused by ellipses, and improves NER performance. The algorithm is implemented in PHP and the code can be downloaded from https://code.google.com/p/medtextmining/.