Predicting anticancer hyperfoods with graph convolutional networks

Background: Recent efforts in the field of nutritional science have allowed the discovery of disease-beating molecules within foods based on the commonality of bioactive food molecules to FDA-approved drugs. The pioneering work in this field used an unsupervised network propagation algorithm to learn the systemic-wide effect on the human interactome of 1962 FDA-approved drugs and a supervised algorithm to predict anticancer therapeutics using the learned representations. Then, a set of bioactive molecules within foods was fed into the model, which predicted molecules with cancer-beating potential.The employed methodology consisted of disjoint unsupervised feature generation and classification tasks, which can result in sub-optimal learned drug representations with respect to the classification task. Additionally, due to the disjoint nature of the tasks, the employed approach proved cumbersome to optimize, requiring testing of thousands of hyperparameter combinations and significant computational resources.To overcome the technical limitations highlighted above, we represent each drug as a graph (human interactome) with its targets as binary node features on the graph and formulate the problem as a graph classification task. To solve this task, inspired by the success of graph neural networks in graph classification problems, we use an end-to-end graph neural network model operating directly on the graphs, which learns drug representations to optimize model performance in the prediction of anticancer therapeutics. Results: The proposed model outperforms the baseline approach in the anticancer therapeutic prediction task, achieving an F1 score of 67.99%±2.52% and an AUPR of 73.91%±3.49%. It is also shown that the model is able to capture knowledge of biological pathways to predict anticancer molecules based on the molecules’ effects on cancer-related pathways. Conclusions: We introduce an end-to-end graph convolutional model to predict cancer-beating molecules within food. The introduced model outperforms the existing baseline approach, and shows interpretability, paving the way to the future of a personalized nutritional science approach allowing the development of nutrition strategies for cancer prevention and/or therapeutics

Weakly-supervised mesh-convolutional hand reconstruction in the wild

We introduce a simple and effective network architecture for monocular 3D hand pose estimation consisting of an image encoder followed by a mesh convolutional decoder that is trained through a direct 3D hand mesh reconstruction loss. We train our network by gathering a large-scale dataset of hand action in YouTube videos and use it as a source of weak supervision. Our weakly-supervised mesh convolutions-based system largely outperforms state-of-the-art methods, even halving the errors on the in the wild benchmark. The dataset and additional resources are available at https://arielai.com/mesh_hands

Polar magneto-optical Kerr effect for low-symmetric ferromagnets

The polar magneto-optical Kerr effect (MOKE) for low-symmetric ferromagnetic crystals is investigated theoretically based on first-principle calculations of optical conductivities and a transfer matrix approach for the electrodynamics part of the problem. Exact average magneto-optical properties of polycrystals are described, taking into account realistic models for the distribution of domain orientations. It is shown that for low-symmetric ferromagnetic single crystals the MOKE is determined by an interplay of crystallographic birefringence and magnetic effects. Calculations for single and bi-crystal of hcp 11-20 Co and for a polycrystal of CrO_2 are performed, with results being in good agreement with experimental data.Comment: 14 pages, 7 figures, accepted for publication in Phys. Rev.

Evolution of cosmological constant in effective gravity

In contrast to the phenomenon of nullification of the cosmological constant in the equilibrium vacuum, which is the general property of any quantum vacuum, there are many options in modifying the Einstein equation to allow the cosmological constant to evolve in a non-equilibrium vacuum. An attempt is made to extend the Einstein equation in the direction suggested by the condensed-matter analogy of the quantum vacuum. Different scenarios are found depending on the behavior of and the relation between the relaxation parameters involved, some of these scenarios having been discussed in the literature. One of them reproduces the scenario in which the effective cosmological constant emerges as a constant of integration. The second one describes the situation, when after the cosmological phase transition the cosmological constant drops from zero to the negative value; this scenario describes the relaxation from this big negative value back to zero and then to a small positive value. In the third example the relaxation time is not a constant but depends on matter; this scenario demonstrates that the vacuum energy (or its fraction) can play the role of the cold dark matter.Comment: LaTeX file, 5 pages, no figures, version submitted to JETP Letter

Renormalization of heavy-light currents in moving NRQCD

Heavy-light decays such as $B \to \pi \ell \nu$, $B \to K^{*} \gamma$ and $B \to K^{(*)} \ell \ell$ can be used to constrain the parameters of the Standard Model and in indirect searches for new physics. While the precision of experimental results has improved over the last years this has still to be matched by equally precise theoretical predictions. The calculation of heavy-light form factors is currently carried out in lattice QCD. Due to its small Compton wavelength we discretize the heavy quark in an effective non-relativistic theory. By formulating the theory in a moving frame of reference discretization errors in the final state are reduced at large recoil. Over the last years the formalism has been improved and tested extensively. Systematic uncertainties are reduced by renormalizing the m(oving)NRQCD action and heavy-light decay operators. The theory differs from QCD only for large loop momenta at the order of the lattice cutoff and the calculation can be carried out in perturbation theory as an expansion in the strong coupling constant. In this paper we calculate the one loop corrections to the heavy-light vector and tensor operator. Due to the complexity of the action the generation of lattice Feynman rules is automated and loop integrals are solved by the adaptive Monte Carlo integrator VEGAS. We discuss the infrared and ultraviolet divergences in the loop integrals both in the continuum and on the lattice. The light quarks are discretized in the ASQTad and highly improved staggered quark (HISQ) action; the formalism is easily extended to other quark actions.Comment: 24 pages, 11 figures. Published in Phys. Rev. D. Corrected a typo in eqn. (51

The Revival of the Unified Dark Energy-Dark Matter Model ?

We consider the generalized Chaplygin gas (GCG) proposal for unification of dark energy and dark matter and show that it admits an unique decomposition into dark energy and dark matter components once phantom-like dark energy is excluded. Within this framework, we study structure formation and show that difficulties associated to unphysical oscillations or blow-up in the matter power spectrum can be circumvented. Furthermore, we show that the dominance of dark energy is related to the time when energy density fluctuations start deviating from the linear $\delta \sim a$ behaviour.Comment: 6 pages, 4 eps figures, Revtex4 style. New References are added. Some typos are corrected. Conclusions remain the sam

Wigner Function Evolution of Quantum States in Presence of Self-Kerr Interaction

A Fokker-Planck equation for the Wigner function evolution in a noisy Kerr medium ($\chi^{(3)}$ non-linearity) is presented. We numerically solved this equation taking a coherent state as an initial condition. The dissipation effects are discussed. We provide examples of quantum interference, sub-Planck phase space structures, and Gaussian versus non-Gaussian dynamical evolution of the state. The results also apply to the description of a nanomechanical resonator with an intrinsic Duffing nonlinearity.Comment: 10 pages, 11 figure

Effects of Chronic Morphine Treatment on Β-Endorphin-Related Peptides in the Caudal Medulla and Spinal Cord

The effects of chronic morphine treatment on Β-endorphin (ΒE)-immunoreactive (ΒE-ir) peptide levels were determined in the rat caudal medulla and different areas of the spinal cord. Seven days of morphine pelleting had no effect on total ΒE-ir peptides in the caudal medulla. In contrast, it significantly increased ΒE-ir peptide concentrations in the cervical and thoracic regions of the spinal cord compared with placebo-pelleted controls, whereas in the lumbosacral region this trend did not reach statistical significance. Injections of the opiate receptor antagonist naloxone 1 h before the rats were killed had no effect on the morphine-induced increases in the cord. Chromatographic analyses revealed that enzymatic processing of ΒE-related peptides in the spinal cord seemed unaffected by the morphine and/or naloxone treatments. In light of previous data showing that morphine down-regulates ΒE biosynthesis in the hypothalamus, the present results suggest that the regulation of ΒE-ir peptides in the spinal cord is distinct from that found in other CNS areas. These data provide support for previous results suggesting that ΒE-expressing neurons may be intrinsic to the spinal cord.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/65660/1/j.1471-4159.1993.tb03518.x.pd

Synthesis and Exciton Dynamics of Triplet Sensitized Conjugated Polymers

We report the synthesis of a novel polythiophene-based host-guest copolymer incorporating a Pt-porphyrin complex (TTP-Pt) into the backbone for efficient singlet to triplet polymer exciton sensitization. We elucidated the exciton dynamics in thin films of the material by means of Transient Absorption Spectrosopcy (TAS) on multiple time scales and investigated the mechanism of triplet exciton formation. During sensitization, singlet exciton diffusion is followed by exciton transfer from the polymer backbone to the complex where it undergoes intersystem crossing to the triplet state of the complex. We directly monitored the triplet exciton back transfer from the Pt-porphyrin to the polymer and found that 60% of the complex triplet excitons were transferred with a time constant of 1087 ps. We propose an equilibrium between polymer and porphyrin triplet states as a result of the low triplet diffusion length in the polymer backbone and hence an increased local triplet population resulting in increased triplet-triplet annihilation. This novel system has significant implications for the design of novel materials for triplet sensitized solar cells and upconversion layers