arXiv subjects

Yiming Zhang

Publications and source records attributed to Yiming Zhang.

At least 199 records · Page 11Linked to original sources

arXiv2021

Synthesis and thermal expansion of chalcogenide MAX phase Hf2SeC

Thermal expansion of MAX phases along different directions tended to be different because of the anisotropy of hexagonal crystals. Herein, a new Hf2SeC phase was synthesized and confirmed to be relatively isotropic, whose coefficients of thermal expansion (CTEs) were determined to be 9.73 μK-1 and 10.18 μK-1 along a and c directions. The strong M-S bond endowed Hf2SC and Zr2SC lower CTEs than Hf2SeC and Zr2SeC. A good relationship between the thermal expansion anisotropy and the ratio of elastic stiffness constant c11 and c33 was established. This straightforward approximation could be used to roughly predict the thermal expansion anisotropy of MAX phases.

cond-mat.mtrl-sci↗

arXiv2021

Graph Learning Augmented Heterogeneous Graph Neural Network for Social Recommendation

Social recommendation based on social network has achieved great success in improving the performance of recommendation system. Since social network (user-user relations) and user-item interactions are both naturally represented as graph-structured data, Graph Neural Networks (GNNs) have thus been widely applied for social recommendation. In this work, we propose an end-to-end heterogeneous global graph learning framework, namely Graph Learning Augmented Heterogeneous Graph Neural Network (GL-HGNN) for social recommendation. GL-HGNN aims to learn a heterogeneous global graph that makes full use of user-user relations, user-item interactions and item-item similarities in a unified perspective. To this end, we design a Graph Learner (GL) method to learn and optimize user-user and item-item connections separately. Moreover, we employ a Heterogeneous Graph Neural Network (HGNN) to capture the high-order complex semantic relations from our learned heterogeneous global graph. To scale up the computation of graph learning, we further present the Anchor-based Graph Learner (AGL) to reduce computational complexity. Extensive experiments on four real-world datasets demonstrate the effectiveness of our model.

cs.IR↗

arXiv2021

Multi-behavior Graph Contextual Aware Network for Session-based Recommendation

Predicting the next interaction of a short-term sequence is a challenging task in session-based recommendation (SBR).Multi-behavior session recommendation considers session sequence with multiple interaction types, such as click and purchase, to capture more effective user intention representation sufficiently.Despite the superior performance of existing multi-behavior based methods for SBR, there are still several severe limitations:(i) Almost all existing works concentrate on single target type of next behavior and fail to model multiplex behavior sessions uniformly.(ii) Previous methods also ignore the semantic relations between various next behavior and historical behavior sequence, which are significant signals to obtain current latent intention for SBR.(iii) The global cross-session item-item graph established by some existing models may incorporate semantics and context level noise for multi-behavior session-based recommendation. To overcome the limitations (i) and (ii), we propose two novel tasks for SBR, which require the incorporation of both historical behaviors and next behaviors into unified multi-behavior recommendation modeling. To this end, we design a Multi-behavior Graph Contextual Aware Network (MGCNet) for multi-behavior session-based recommendation for the two proposed tasks. Specifically, we build a multi-behavior global item transition graph based on all sessions involving all interaction types. Based on the global graph, MGCNet attaches the global interest representation to final item representation based on local contextual intention to address the limitation (iii). In the end, we utilize the next behavior information explicitly to guide the learning of general interest and current intention for SBR. Experiments on three public benchmark datasets show that MGCNet can outperform state-of-the-art models for multi-behavior session-based recommendation.

cs.IR↗

arXiv2021

Quantum Computational Advantage via 60-Qubit 24-Cycle Random Circuit Sampling

To ensure a long-term quantum computational advantage, the quantum hardware should be upgraded to withstand the competition of continuously improved classical algorithms and hardwares. Here, we demonstrate a superconducting quantum computing systems \textit{Zuchongzhi} 2.1, which has 66 qubits in a two-dimensional array in a tunable coupler architecture. The readout fidelity of \textit{Zuchongzhi} 2.1 is considerably improved to an average of 97.74\%. The more powerful quantum processor enables us to achieve larger-scale random quantum circuit sampling, with a system scale of up to 60 qubits and 24 cycles. The achieved sampling task is about 6 orders of magnitude more difficult than that of Sycamore [Nature \textbf{574}, 505 (2019)] in the classic simulation, and 3 orders of magnitude more difficult than the sampling task on \textit{Zuchongzhi} 2.0 [arXiv:2106.14734 (2021)]. The time consumption of classically simulating random circuit sampling experiment using state-of-the-art classical algorithm and supercomputer is extended to tens of thousands of years (about $4.8\times 10^4$ years), while \textit{Zuchongzhi} 2.1 only takes about 4.2 hours, thereby significantly enhancing the quantum computational advantage.

quant-ph↗

arXiv2021

Strong quantum computational advantage using a superconducting quantum processor

Scaling up to a large number of qubits with high-precision control is essential in the demonstrations of quantum computational advantage to exponentially outpace the classical hardware and algorithmic improvements. Here, we develop a two-dimensional programmable superconducting quantum processor, \textit{Zuchongzhi}, which is composed of 66 functional qubits in a tunable coupling architecture. To characterize the performance of the whole system, we perform random quantum circuits sampling for benchmarking, up to a system size of 56 qubits and 20 cycles. The computational cost of the classical simulation of this task is estimated to be 2-3 orders of magnitude higher than the previous work on 53-qubit Sycamore processor [Nature \textbf{574}, 505 (2019)]. We estimate that the sampling task finished by \textit{Zuchongzhi} in about 1.2 hours will take the most powerful supercomputer at least 8 years. Our work establishes an unambiguous quantum computational advantage that is infeasible for classical computation in a reasonable amount of time. The high-precision and programmable quantum computing platform opens a new door to explore novel many-body phenomena and implement complex quantum algorithms.

quant-ph↗

arXiv2021

On-Policy Deep Reinforcement Learning for the Average-Reward Criterion

We develop theory and algorithms for average-reward on-policy Reinforcement Learning (RL). We first consider bounding the difference of the long-term average reward for two policies. We show that previous work based on the discounted return (Schulman et al., 2015; Achiam et al., 2017) results in a non-meaningful bound in the average-reward setting. By addressing the average-reward criterion directly, we then derive a novel bound which depends on the average divergence between the two policies and Kemeny's constant. Based on this bound, we develop an iterative procedure which produces a sequence of monotonically improved policies for the average reward criterion. This iterative procedure can then be combined with classic DRL (Deep Reinforcement Learning) methods, resulting in practical DRL algorithms that target the long-run average reward criterion. In particular, we demonstrate that Average-Reward TRPO (ATRPO), which adapts the on-policy TRPO algorithm to the average-reward criterion, significantly outperforms TRPO in the most challenging MuJuCo environments.

cs.LG↗

arXiv2021

Hierarchical Adaptive Pooling by Capturing High-order Dependency for Graph Representation Learning

Graph neural networks (GNN) have been proven to be mature enough for handling graph-structured data on node-level graph representation learning tasks. However, the graph pooling technique for learning expressive graph-level representation is critical yet still challenging. Existing pooling methods either struggle to capture the local substructure or fail to effectively utilize high-order dependency, thus diminishing the expression capability. In this paper we propose HAP, a hierarchical graph-level representation learning framework, which is adaptively sensitive to graph structures, i.e., HAP clusters local substructures incorporating with high-order dependencies. HAP utilizes a novel cross-level attention mechanism MOA to naturally focus more on close neighborhood while effectively capture higher-order dependency that may contain crucial information. It also learns a global graph content GCont that extracts the graph pattern properties to make the pre- and post-coarsening graph content maintain stable, thus providing global guidance in graph coarsening. This novel innovation also facilitates generalization across graphs with the same form of features. Extensive experiments on fourteen datasets show that HAP significantly outperforms twelve popular graph pooling methods on graph classification task with an maximum accuracy improvement of 22.79%, and exceeds the performance of state-of-the-art graph matching and graph similarity learning algorithms by over 3.5% and 16.7%.

cs.LG↗

arXiv2021

Discovery of Physics and Characterization of Microstructure from Data with Bayesian Hidden Physics Models

There has been a surge in the interest of using machine learning techniques to assist in the scientific process of formulating knowledge to explain observational data. We demonstrate the use of Bayesian Hidden Physics Models to first uncover the physics governing the propagation of acoustic impulses in metallic specimens using data obtained from a pristine sample. We then use the learned physics to characterize the microstructure of a separate specimen with a surface-breaking crack flaw. Remarkably, we find that the physics learned from the first specimen allows us to understand the backscattering observed in the latter sample, a qualitative feature that is wholly absent from the specimen from which the physics were inferred. The backscattering is explained through inhomogeneities of a latent spatial field that can be recognized as the speed of sound in the media.

cs.LG↗

arXiv2021

Conversations Gone Alright: Quantifying and Predicting Prosocial Outcomes in Online Conversations

Online conversations can go in many directions: some turn out poorly due to antisocial behavior, while others turn out positively to the benefit of all. Research on improving online spaces has focused primarily on detecting and reducing antisocial behavior. Yet we know little about positive outcomes in online conversations and how to increase them-is a prosocial outcome simply the lack of antisocial behavior or something more? Here, we examine how conversational features lead to prosocial outcomes within online discussions. We introduce a series of new theory-inspired metrics to define prosocial outcomes such as mentoring and esteem enhancement. Using a corpus of 26M Reddit conversations, we show that these outcomes can be forecasted from the initial comment of an online conversation, with the best model providing a relative 24% improvement over human forecasting performance at ranking conversations for predicted outcome. Our results indicate that platforms can use these early cues in their algorithmic ranking of early conversations to prioritize better outcomes.

cs.CY↗

arXiv2021

MAX Phase Zr2SeC and Its Thermal Conduction Behavior

The elemental diversity is crucial to screen out ternary MAX phases with outstanding properties via tuning of bonding types and strength between constitutive atoms. As a matter of fact, the interactions between M and A atoms largely determine the physical and chemical properties of MAX phases. Herein, Se element was experimentally realized to occupy the A site of a MAX phase, Zr2SeC, becoming a new member within this nanolaminated ternary carbide family. Comprehensive characterizations including Rietveld refinement of X-ray Diffraction and atom-resolved transmission electron microscopy techniques were employed to validate this novel MAX phase. The distinct thermal conduction behaviors emerged are attributed to the characteristic interactions between Zr and Se atoms.

cond-mat.mtrl-sci↗

arXiv2020

First Order Constrained Optimization in Policy Space

In reinforcement learning, an agent attempts to learn high-performing behaviors through interacting with the environment, such behaviors are often quantified in the form of a reward function. However some aspects of behavior-such as ones which are deemed unsafe and to be avoided-are best captured through constraints. We propose a novel approach called First Order Constrained Optimization in Policy Space (FOCOPS) which maximizes an agent's overall reward while ensuring the agent satisfies a set of cost constraints. Using data generated from the current policy, FOCOPS first finds the optimal update policy by solving a constrained optimization problem in the nonparameterized policy space. FOCOPS then projects the update policy back into the parametric policy space. Our approach has an approximate upper bound for worst-case constraint violation throughout training and is first-order in nature therefore simple to implement. We provide empirical evidence that our simple approach achieves better performance on a set of constrained robotics locomotive tasks.

cs.LG↗

arXiv2020

Molten salt synthesis of a nanolaminated Sc2SnC MAX Phase

The MAX phases are a family of of ternary layered material with both metal and ceramic properties, and it is also precursor ma-terials for synthesis of two-dimensional MXenes. The theory predicted that there are more than 600 stable ternary layered MAX phases. At present, there are more than 80 kinds of ternary MAX phases synthesized through experiments, and few reports on MAX phases where M is a rare earth element. In this study, a new MAX phase Sc2SnC with rare earth element Sc at the M sites was synthesized through the reaction sintering of Sc, Sn, and C mixtures. Phase composition and microstructure of Sc2SnC were confirmed by X-ray diffraction, scanning electron microscopy and X-ray energy spectrum analysis. And structural stability, mechanical and electronic properties of Sc2SnC was investigated via density functional theory. This study open a door for ex-plore more unknown ternary layered rare earth compounds Ren+1SnCn (Re=Sc, Y, La-Nd, n=1) and corresponding rare earth MXenes.

cond-mat.mtrl-sci↗

arXiv2020

Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials

The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical quantities related to phonons in semiconductors. However, for two-dimensional (2D) materials, the widely-used models for carrier transport only consider the interactions between electrons and some specific phonon modes, which usually leads to inaccruate predictions of electrons/phonons transport properties. In this work, comprehensive investigations on full electron-phonon couplings and their influences on carrier mobility and thermoelectric performances of 2D group-IV and V elemental monolayers were performed, and we also analyzed in details the selection rules on electron-phonon couplings using group-theory arguments. Our calculations revealed that, for the cases of shallow dopings where only intravalley scatterings are allowed, the contributions from optical phonon modes are significantly larger than those from acoustic phonon modes in group-IV elemental monolayers, and LA and some specific optical phonon modes contribute significantly to the total intravalley scatterings. When the doping increases and intervalley scatterings are allowed, the intervalley scatterings are much stronger than intravalley scatterings, and ZA/TA/LO phonon modes dominate the intervalley scatterings in monolayer Si, Ge and Sn. The dominant contributions to the total intervalley scatterings are ZA/TO in monolayer P, ZA/TO in monolayer As and TO/LO in monolayer Sb. Based on the thorough investigations on the full electron-phonon couplings, we predict accurately the carrier mobilities and thermoelectric figure of merits in these two elemental crystals, and reveal significant reductions when compared with the calculations based on the widely-used simplified model.

cond-mat.mtrl-sci↗

arXiv2020

A micropolar peridynamics model with non-unified horizon for damage of solids with different non-local effects

Most peridynamics models adopt regular point distribution and unified horizon, limiting their flexibility and engineering applications. In this work, a micropolar peridynamics approach with non-unified horizon (NHPD) is proposed. This approach is implemented in a conventional finite element framework, using element-based discretization. By modifying the dual horizon approach into the pre-processing part, point dependent horizon and non-unified beam-like bonds are built. By implementing a domain correction strategy, the equivalence of strain energy density is assured. Then, a novel energy density-based failure criterion is presented which directly bridges the critical stretch to the mechanical strength. The numerical results indicate the weak mesh dependency of NHPD and the effectiveness of the new failure criterion. Moreover, it is proven that damage of solid with different non-local effects can lead to similar results by only adjusting the mechanical strength.

cs.CE↗

arXiv2020

Data-Informed Decomposition for Localized Uncertainty Quantification of Dynamical Systems

Industrial dynamical systems often exhibit multi-scale response due to material heterogeneities, operation conditions and complex environmental loadings. In such problems, it is the case that the smallest length-scale of the systems dynamics controls the numerical resolution required to effectively resolve the embedded physics. In practice however, high numerical resolutions is only required in a confined region of the system where fast dynamics or localized material variability are exhibited, whereas a coarser discretization can be sufficient in the rest majority of the system. To this end, a unified computational scheme with uniform spatio-temporal resolutions for uncertainty quantification can be very computationally demanding. Partitioning the complex dynamical system into smaller easier-to-solve problems based of the localized dynamics and material variability can reduce the overall computational cost. However, identifying the region of interest for high-resolution and intensive uncertainty quantification can be a problem dependent. The region of interest can be specified based on the localization features of the solution, user interest, and correlation length of the random material properties. For problems where a region of interest is not evident, Bayesian inference can provide a feasible solution. In this work, we employ a Bayesian framework to update our prior knowledge on the localized region of interest using measurements and system response. To address the computational cost of the Bayesian inference, we construct a Gaussian process surrogate for the forward model. Once, the localized region of interest is identified, we use polynomial chaos expansion to propagate the localization uncertainty. We demonstrate our framework through numerical experiments on a three-dimensional elastodynamic problem.

physics.comp-ph↗

arXiv2020

AinnoSeg: Panoramic Segmentation with High Perfomance

Panoramic segmentation is a scene where image segmentation tasks is more difficult. With the development of CNN networks, panoramic segmentation tasks have been sufficiently developed.However, the current panoramic segmentation algorithms are more concerned with context semantics, but the details of image are not processed enough. Moreover, they cannot solve the problems which contains the accuracy of occluded object segmentation,little object segmentation,boundary pixel in object segmentation etc. Aiming to address these issues, this paper presents some useful tricks. (a) By changing the basic segmentation model, the model can take into account the large objects and the boundary pixel classification of image details. (b) Modify the loss function so that it can take into account the boundary pixels of multiple objects in the image. (c) Use a semi-supervised approach to regain control of the training process. (d) Using multi-scale training and reasoning. All these operations named AinnoSeg, AinnoSeg can achieve state-of-art performance on the well-known dataset ADE20K.

cs.CV↗

arXiv2020

Direct dissipation-based arc-length approach for the cracking elements method

Dissipated energy, representing a monotonically increasing state variable in nonlinear fracture mechanics, can be used as a restraint for tracing the dissipation instead of the elastic unloading path of the structure response. In this work, in contrast to other energy-based approaches that use internal energy and the work done by the external loads, a novel arc-length approach is proposed. It directly extracts the dissipated energy based on crack openings and tractions (displacement jumps and cohesive forces between two surfaces of one crack), taking advantage of the global/extended method of cracking elements. Its linearized form is developed, and the stiffness factor of the arc-length restraint is naturally obtained by means of the Sherman-Morrison formula. Once cohesive cracks appear, the proposed approach can be applied until most of the fracture energy is dissipated. Results from several numerical tests, in which arc-length control and self-propagating cracks are jointly used, are presented. They demonstrate the robustness of the proposed method, which captures both global and local peak loads and all snap-back parts of the force-displacement responses of loaded structures with multiple cracks.

cs.CE↗

arXiv2020

The role of Hume-Rothery's rules play in the MAX phases formability

MAX phases are a family of layered, hexagonal-structure ternary carbides or nitrides of a transitional metal and an A-group element. What makes this type of material fascinating and potentially useful is their remarkable combinations of metallic and ceramic characteristics; as well as the indispensable role in 'top-down' synthesis of their 2D counterparts, MXenes. To enhance the efficiency in the successful search for potential novel MAX phases, the main efforts could go toward creating an informationprediction system incorporating all MAX phases' databases, as well as generally valid principles and the high-quality regularities. In this work, we employ structure mapping methodology, which has shown its merit of being useful guides in materials design, with Hume-Rothery parameters to provide guiding principles in the search of novel MAX phases. The formable/non-formable data on MAX phases can be ordered within a twodimensional plot by using proposed expression of geometrical and electron concentration factors.

cond-mat.mtrl-sci↗