Graph neural networks (GNNs) constitute a class of deep learning methods for graph data. They have wide applications in chemistry and biology, such as molecular property prediction, reaction prediction, and drug–target interaction prediction. Despite the interest, GNN-based modeling is challenging as it requires graph data preprocessing and modeling in addition to programming and deep learning. Here, we present Deep Graph Library (DGL)-LifeSci, an open-source package for deep learning on graphs in life science. Deep Graph Library (DGL)-LifeSci is a python toolkit based on RDKit, PyTorch, and Deep Graph Library (DGL). DGL-LifeSci allows GNN-based modeling on custom datasets for molecular property prediction, reaction prediction, and molecule generation. With its command-line interfaces, users can perform modeling without any background in programming and deep learning. We test the command-line interfaces using standard benchmarks MoleculeNet, USPTO, and ZINC. Compared with previous implementations, DGL-LifeSci achieves a speed up by up to 6×. For modeling flexibility, DGL-LifeSci provides well-optimized modules for various stages of the modeling pipeline. In addition, DGL-LifeSci provides pretrained models for reproducing the test experiment results and applying models without training. The code is distributed under an Apache-2.0 License and is freely accessible at .

We study the kinematics of the M87 jet using the first year data of the KVN and VERA Array (KaVA) large program, which has densely monitored the jet at 22 and 43 GHz since 2016. We find that the apparent jet speeds generally increase from ≈ 0.3c at ≈ 0.5 mas from the jet base to ≈ 2.7c at ≈ 20 mas, indicating that the jet is accelerated from subluminal to superluminal speeds on these scales. We perform a complementary jet kinematic analysis by using archival Very Long Baseline Array monitoring data observed in 2005 − 2009 at 1.7 GHz and find that the jet is moving at relativistic speeds up to ≈ 5.8c at distances of 200 − 410 mas. We combine the two kinematic results and find that the jet is gradually accelerated over a broad distance range that coincides with the jet collimation zone, implying that conversion of Poynting flux to kinetic energy flux takes place. If the jet emission consists of a single streamline, the observed trend of jet acceleration (Γ ∝ z 0.16±0.01 ) is relatively slow compared to models of a highly magnetized jet. This indicates that Poynting flux conversion through the differential collimation of poloidal magnetic fields may be less efficient than expected. However, we find a non-negligible dispersion in the observed speeds for a given jet distance, making it difficult to describe the jet velocity field with a single power-law acceleration function. We discuss the possibility that the jet emission consists of multiple streamlines following different acceleration profiles, resulting in jet velocity stratification.

Blazars are a sub-class of quasars with Doppler boosted jets oriented close to the line of sight, and thus efficient probes of supermassive black hole growth and their environment, especially at high redshifts.Here we report on Very Long Baseline Interferometry observations of a blazar J0906+6930 at z = 5.47, which enabled the detection of polarised emission and measurement of jet proper motion at parsec scales. The observations suggest a less powerful jet compared with the general blazar population, including lower proper motion and bulk Lorentz factor. This coupled with a previously inferred high accretion rate indicate a transition from an accretion radiative power to a jet mechanical power based transfer of energy and momentum to the surrounding gas.While alternative scenarios could not be fully ruled out, our results indicate a possibly nascent jet embedded in and interacting with a dense medium resulting in a jet bending.Here, we report the measurement of proper motion and linear polarisation in the parsec-scale jet of this high redshift blazar. We use new 15-GHz data observed with the VLBA in 2017 and 2018, archival VLBA data obtained in 2004-2005 (see details in Supplementary Table 1) and the flux densities reported by the 40 m telescope at the Owens Valley Radio Observatory (OVRO) to explore the evolution of the source morphology and infer its physical characteristics. The jet parameters (lower proper motion and bulk Lorentz factor) are inclined to support a less powerful jet, compared with the general blazar population. The jet interacts with the surrounding interstellar medium resulting in a jet bending and polarised emission.

Jets of high-redshift active galactic nuclei (AGNs) can be used to directly probe the activity of the black holes in the early Universe. Radio sources with jets misaligned with respect to the line of sight are expected to dominate the high-redshift AGN population. In this paper, we present the high-resolution imaging results of a z = 4.57 AGN J2102+6015 by analyzing its multi-epoch dual-frequency very long baseline interferometry (VLBI) data. The 8.4-GHz VLBI images reveal two major features along the east–west direction separated by ∼10 milli-arcsec (mas). From the spectral index map, both features show flat/inverted spectra. The separation between the two features remains almost unchanged over an observation period of ∼13 years, placing an upper limit of the separation speed as about 0.04 mas year−1. Previous studies have classified the source as a GHz-peaked spectrum quasar. Our results indicate that J2102+6015 is most likely a young, compact symmetric object rather than a blazar-type core–jet source.

The γ-ray bright blazar CTA 102 is studied using imaging (new 15 GHz and archival 43 GHz Very Long Baseline Array, VLBA data) and time variable optical flux density, polarization degree and electric vector position angle (EVPA) spanning between 2015 June 1 and 2016 October 1, covering a prominent γ-ray flare during 2016 January. The pc-scale jet indicates expansion with oscillatory features upto 17 mas. Component proper motions are in the range 0.04 − 0.33 mas yr −1 with acceleration upto 1.2 mas followed by a slowing down beyond 1.5 mas. A jet bulk Lorentz factor ≥ 17.5, position angle of 128. • 3, inclination angle ≤ 6. • 6 and intrinsic half opening angle ≤ 1. • 8 are derived from the VLBA data. These inferences are employed in a helical jet model to infer long term variability in flux density, polarization degree, EVPA and a rotation of the Stokes Q and U parameters. A core distance of r core, 43 GHz = 22.9 pc, and a magnetic field strength at 1 pc and the core location of 1.57 G and 0.07 G respectively are inferred using the core shift method. The study is useful in the context of estimating jet parameters and in offering clues to distinguish mechanisms responsible for variability over different timescales.

High-resolution observations of high-redshift (z > 4) radio quasars offer a unique insight into jet kinematics at early cosmological epochs, as well as constraints on cosmological model parameters. Due to the general weakness of extremely distant objects and the apparently slow structural changes caused by cosmological time dilation, only a couple of high-redshift quasars have been studied with parsec-scale resolutions, and with limited number of observing epochs. Here we report on very long baseline interferometry (VLBI) observations of a high-redshift blazar J1430+4204 (z = 4.72) in the 8 GHz frequency band at five different epochs spanning 22 years. The source shows a compact core-jet structure with two jet components being identified within 3 milli-arcsecond (mas) scale. The long time span and multiple-epoch data allow for the kinematic studies of the jet components. That results in a jet proper motion of µ(J1) = 0.017±0.002 mas yr −1 and µ(J2)=0.156±0.015 mas yr −1 , respectively. For the fastestmoving outer jet component J2, the corresponding apparent transverse speed is 19.5 ± 1.9 c. The inferred bulk jet Lorentz factor Γ = 14.6 ± 3.8 and viewing angle θ = 2.2 • ± 1.6 • indicate highly relativistic beaming. The Lorentz factor and apparent proper motion are the highest measured to date among the z > 4 jetted radio sources, while the jet kinematics is still consistent with the cosmological interpretation of quasar redshifts.

Sagittarius A* (Sgr A*), the Galactic Center supermassive black hole (SMBH), is one of the best targets in which to resolve the innermost region of an SMBH with very long baseline interferometry (VLBI). In this study, we have carried out observations toward Sgr A* at 1.349 cm (22.223 GHz) and 6.950 mm (43.135 GHz) with the East Asian VLBI Network, as a part of the multiwavelength campaign of the Event Horizon Telescope (EHT) in 2017 April. To mitigate scattering effects, the physically motivated scattering kernel model from Psaltis et al. (2018) and the scattering parameters from Johnson et al. (2018) have been applied. As a result, a single, symmetric Gaussian model well describes the intrinsic structure of Sgr A* at both wavelengths. From closure amplitudes, the major-axis sizes are ∼704 ± 102 μas (axial ratio ∼ 1.19 − 0.19 + 0.24 ) and ∼300 ± 25 μas (axial ratio ∼1.28 ± 0.2) at 1.349 cm and 6.95 mm, respectively. Together with a quasi-simultaneous observation at 3.5 mm (86 GHz) by Issaoun et al. (2019), we show that the intrinsic size scales with observing wavelength as a power law, with an index ∼1.2 ± 0.2. Our results also provide estimates of the size and compact flux density at 1.3 mm, which can be incorporated into the analysis of the EHT observations. In terms of the origin of radio emission, we have compared the intrinsic structures with the accretion flow scenario, especially the radiatively inefficient accretion flow based on the Keplerian shell model. With this, we show that a nonthermal electron population is necessary to reproduce the source sizes.

To date, PMN J2134-0419 (at a redshift z = 4.33) is the second most distant quasar known with a milliarcsecond-scale morphology permitting direct estimates of the jet proper motion. Based on two-epoch observations, we constrained its radio jet proper motion using the very long baseline interferometry (VLBI) technique. The observations were conducted with the European VLBI Network (EVN) at 5 GHz on 1999 November 26 and 2015 October 6. We imaged the central 10-pc scale radio jet emission and modeled its brightness distribution. By identifying a jet component at both epochs separated by 15.86 yr, a proper motion of µ = 0.035 ± 0.023 mas yr −1 is found. It corresponds to an apparent superluminal speed of β a = 4.1±2.7 c. Relativistic beaming at both epochs suggests that the jet viewing angle with respect to the line of sight is smaller than 20 • , with a minimum bulk Lorentz factor Γ = 4.3. The small value of the proper motion is in good agreement with the expectations from the cosmological interpretation of the redshift and the current cosmological model. Additionally we analyzed archival Very Large Array observations of J2143−0419 and found indication of a bent jet extending to ∼30 kpc.