226 research outputs found
Factorizing LambdaMART for cold start recommendations
Recommendation systems often rely on point-wise loss metrics such as the mean
squared error. However, in real recommendation settings only few items are
presented to a user. This observation has recently encouraged the use of
rank-based metrics. LambdaMART is the state-of-the-art algorithm in learning to
rank which relies on such a metric. Despite its success it does not have a
principled regularization mechanism relying in empirical approaches to control
model complexity leaving it thus prone to overfitting.
Motivated by the fact that very often the users' and items' descriptions as
well as the preference behavior can be well summarized by a small number of
hidden factors, we propose a novel algorithm, LambdaMART Matrix Factorization
(LambdaMART-MF), that learns a low rank latent representation of users and
items using gradient boosted trees. The algorithm factorizes lambdaMART by
defining relevance scores as the inner product of the learned representations
of the users and items. The low rank is essentially a model complexity
controller; on top of it we propose additional regularizers to constraint the
learned latent representations that reflect the user and item manifolds as
these are defined by their original feature based descriptors and the
preference behavior. Finally we also propose to use a weighted variant of NDCG
to reduce the penalty for similar items with large rating discrepancy.
We experiment on two very different recommendation datasets, meta-mining and
movies-users, and evaluate the performance of LambdaMART-MF, with and without
regularization, in the cold start setting as well as in the simpler matrix
completion setting. In both cases it outperforms in a significant manner
current state of the art algorithms
Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes.
Electronic circular dichroism and circularly polarized luminescence acid/base switching activity has been demonstrated in helicene-bipyridine proligand 1 a and in its “rollover” cycloplatinated derivative 2 a. Whereas proligand 1 a displays a strong bathochromic shift (>160 nm) of the nonpolarized and circularly polarized luminescence upon protonation, complex 2 a displays slightly stronger emission. This strikingly different behavior between singlet emission in the organic helicene and triplet emission in the organometallic derivative has been rationalized by using quantum-chemical calculations. The very large bathochromic shift of the emission observed upon protonation of azahelicene-bipyridine 1 a has been attributed to the decrease in aromaticity (promoting a charge-transfer-type transition rather than a π–π* transition) as well as an increase in the HOMO–LUMO character of the transition and stabilization of the LUMO level upon protonation
Supplementary data for the article: Jevtić, I. I.; Savić Vujović, K.; Srebro, D.; Vučković, S.; Ivanović, M. D.; Kostić-Rajačić, S. V. Synthesis and Pharmacological Evaluation of Novel Cis and Trans 3-Substituted Anilidopiperidines. Pharmacol. Rep 2020, 72 (4), 1069–1075. https://doi.org/10.1007/s43440-020-00121-2
Supplementary material for: [ https://doi.org/10.1007/s43440-020-00121-2]Related to published version: [https://cherry.chem.bg.ac.rs/handle/123456789/4211
Fast Differentially Private Matrix Factorization
Differentially private collaborative filtering is a challenging task, both in
terms of accuracy and speed. We present a simple algorithm that is provably
differentially private, while offering good performance, using a novel
connection of differential privacy to Bayesian posterior sampling via
Stochastic Gradient Langevin Dynamics. Due to its simplicity the algorithm
lends itself to efficient implementation. By careful systems design and by
exploiting the power law behavior of the data to maximize CPU cache bandwidth
we are able to generate 1024 dimensional models at a rate of 8.5 million
recommendations per second on a single PC
μ-opioid/D2 dopamine receptor pharmacophore containing ligands: Synthesis and pharmacological evaluation
Herein, the synthesis and pharmacological evaluation of 13 novel compounds, designed as potential heterobivalent ligands for μ-opioid receptor (MOR) and dopamine D2 receptors (D2DAR), are reported. The compounds consisted of anilido piperidine and N-aryl piperazine moieties, joined by a variable-length methylene linker. The two moieties represent MOR and D2DAR pharmacophores, respectively. The synthesis encompassed four steps, securing the final products in 28–42 % overall yields. The approach has a considerable synthetic potential, providing access to various related structures. Pharmacological tests involved in vitro competitive assay for D2DAR using [3H] spiperon, as a standard radioligand, and in vivo antinociceptive tests for MOR. The measured dopamine affinities were modest to low, while antinociceptive activity was completely absent. Therefore, the compounds of the general structure prepared in this research are unlikely to be useful as opioid–dopamine receptor heterobivalent ligands
Scalable Tensor Factorizations for Incomplete Data
The problem of incomplete data - i.e., data with missing or unknown values -
in multi-way arrays is ubiquitous in biomedical signal processing, network
traffic analysis, bibliometrics, social network analysis, chemometrics,
computer vision, communication networks, etc. We consider the problem of how to
factorize data sets with missing values with the goal of capturing the
underlying latent structure of the data and possibly reconstructing missing
values (i.e., tensor completion). We focus on one of the most well-known tensor
factorizations that captures multi-linear structure, CANDECOMP/PARAFAC (CP). In
the presence of missing data, CP can be formulated as a weighted least squares
problem that models only the known entries. We develop an algorithm called
CP-WOPT (CP Weighted OPTimization) that uses a first-order optimization
approach to solve the weighted least squares problem. Based on extensive
numerical experiments, our algorithm is shown to successfully factorize tensors
with noise and up to 99% missing data. A unique aspect of our approach is that
it scales to sparse large-scale data, e.g., 1000 x 1000 x 1000 with five
million known entries (0.5% dense). We further demonstrate the usefulness of
CP-WOPT on two real-world applications: a novel EEG (electroencephalogram)
application where missing data is frequently encountered due to disconnections
of electrodes and the problem of modeling computer network traffic where data
may be absent due to the expense of the data collection process
Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes
Electronic circular dichroism and circularly polarized luminescence acid/base switching activity has been demonstrated in helicene-bipyridine proligand 1 a and in its “rollover” cycloplatinated derivative 2 a. Whereas proligand 1 a displays a strong bathochromic shift (>160 nm) of the nonpolarized and circularly polarized luminescence upon protonation, complex 2 a displays slightly stronger emission. This strikingly different behavior between singlet emission in the organic helicene and triplet emission in the organometallic derivative has been rationalized by using quantum-chemical calculations. The very large bathochromic shift of the emission observed upon protonation of azahelicene-bipyridine 1 a has been attributed to the decrease in aromaticity (promoting a charge-transfer-type transition rather than a π–π* transition) as well as an increase in the HOMO–LUMO character of the transition and stabilization of the LUMO level upon protonation
Thermal Resonance in Signal Transmission
We use temperature tuning to control signal propagation in simple
one-dimensional arrays of masses connected by hard anharmonic springs and with
no local potentials. In our numerical model a sustained signal is applied at
one site of a chain immersed in a thermal environment and the signal-to-noise
ratio is measured at each oscillator. We show that raising the temperature can
lead to enhanced signal propagation along the chain, resulting in thermal
resonance effects akin to the resonance observed in arrays of bistable systems.Comment: To appear in Phys. Rev.
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