arXiv subjects

Yong Yu

Publications and source records attributed to Yong Yu.

At least 199 records · Page 11Linked to original sources

arXiv2021

Why Propagate Alone? Parallel Use of Labels and Features on Graphs

Graph neural networks (GNNs) and label propagation represent two interrelated modeling strategies designed to exploit graph structure in tasks such as node property prediction. The former is typically based on stacked message-passing layers that share neighborhood information to transform node features into predictive embeddings. In contrast, the latter involves spreading label information to unlabeled nodes via a parameter-free diffusion process, but operates independently of the node features. Given then that the material difference is merely whether features or labels are smoothed across the graph, it is natural to consider combinations of the two for improving performance. In this regard, it has recently been proposed to use a randomly-selected portion of the training labels as GNN inputs, concatenated with the original node features for making predictions on the remaining labels. This so-called label trick accommodates the parallel use of features and labels, and is foundational to many of the top-ranking submissions on the Open Graph Benchmark (OGB) leaderboard. And yet despite its wide-spread adoption, thus far there has been little attempt to carefully unpack exactly what statistical properties the label trick introduces into the training pipeline, intended or otherwise. To this end, we prove that under certain simplifying assumptions, the stochastic label trick can be reduced to an interpretable, deterministic training objective composed of two factors. The first is a data-fitting term that naturally resolves potential label leakage issues, while the second serves as a regularization factor conditioned on graph structure that adapts to graph size and connectivity. Later, we leverage this perspective to motivate a broader range of label trick use cases, and provide experiments to verify the efficacy of these extensions.

cs.LG↗

arXiv2021

Existence of solutions to the Poisson--Nernst--Planck system with singular permanent charges in $\mathbb{R}^2$

In this paper, we study the well-posedness of Poisson-Nernst-Planck system with no-flux boundary condition and singular permanent charges in two dimension. The main difficulty comes from the lack of integrability of singular permanent charges. In order to overcome the difficulty, the main idea is to transform the system into another weighted parabolic system. By choosing suitable weighted spaces, local existence of solutions can be obtained based on a fixed-point argument. Moreover, we also proved global existence by energy estimates under the smallness assumption on initial data.

math.AP↗

arXiv2021

Learning to Select Cuts for Efficient Mixed-Integer Programming

Cutting plane methods play a significant role in modern solvers for tackling mixed-integer programming (MIP) problems. Proper selection of cuts would remove infeasible solutions in the early stage, thus largely reducing the computational burden without hurting the solution accuracy. However, the major cut selection approaches heavily rely on heuristics, which strongly depend on the specific problem at hand and thus limit their generalization capability. In this paper, we propose a data-driven and generalizable cut selection approach, named Cut Ranking, in the settings of multiple instance learning. To measure the quality of the candidate cuts, a scoring function, which takes the instance-specific cut features as inputs, is trained and applied in cut ranking and selection. In order to evaluate our method, we conduct extensive experiments on both synthetic datasets and real-world datasets. Compared with commonly used heuristics for cut selection, the learning-based policy has shown to be more effective, and is capable of generalizing over multiple problems with different properties. Cut Ranking has been deployed in an industrial solver for large-scale MIPs. In the online A/B testing of the product planning problems with more than $10^7$ variables and constraints daily, Cut Ranking has achieved the average speedup ratio of 12.42% over the production solver without any accuracy loss of solution.

math.OC↗

arXiv2021

Task-wise Split Gradient Boosting Trees for Multi-center Diabetes Prediction

Diabetes prediction is an important data science application in the social healthcare domain. There exist two main challenges in the diabetes prediction task: data heterogeneity since demographic and metabolic data are of different types, data insufficiency since the number of diabetes cases in a single medical center is usually limited. To tackle the above challenges, we employ gradient boosting decision trees (GBDT) to handle data heterogeneity and introduce multi-task learning (MTL) to solve data insufficiency. To this end, Task-wise Split Gradient Boosting Trees (TSGB) is proposed for the multi-center diabetes prediction task. Specifically, we firstly introduce task gain to evaluate each task separately during tree construction, with a theoretical analysis of GBDT's learning objective. Secondly, we reveal a problem when directly applying GBDT in MTL, i.e., the negative task gain problem. Finally, we propose a novel split method for GBDT in MTL based on the task gain statistics, named task-wise split, as an alternative to standard feature-wise split to overcome the mentioned negative task gain problem. Extensive experiments on a large-scale real-world diabetes dataset and a commonly used benchmark dataset demonstrate TSGB achieves superior performance against several state-of-the-art methods. Detailed case studies further support our analysis of negative task gain problems and provide insightful findings. The proposed TSGB method has been deployed as an online diabetes risk assessment software for early diagnosis.

cs.LG↗

arXiv2021

Retrieval & Interaction Machine for Tabular Data Prediction

Prediction over tabular data is an essential task in many data science applications such as recommender systems, online advertising, medical treatment, etc. Tabular data is structured into rows and columns, with each row as a data sample and each column as a feature attribute. Both the columns and rows of the tabular data carry useful patterns that could improve the model prediction performance. However, most existing models focus on the cross-column patterns yet overlook the cross-row patterns as they deal with single samples independently. In this work, we propose a general learning framework named Retrieval & Interaction Machine (RIM) that fully exploits both cross-row and cross-column patterns among tabular data. Specifically, RIM first leverages search engine techniques to efficiently retrieve useful rows of the table to assist the label prediction of the target row, then uses feature interaction networks to capture the cross-column patterns among the target row and the retrieved rows so as to make the final label prediction. We conduct extensive experiments on 11 datasets of three important tasks, i.e., CTR prediction (classification), top-n recommendation (ranking) and rating prediction (regression). Experimental results show that RIM achieves significant improvements over the state-of-the-art and various baselines, demonstrating the superiority and efficacy of RIM.

cs.IR↗

arXiv2021

Deterministic Time-Bin Entanglement between a Single Photon and an Atomic Ensemble

Hybrid matter-photon entanglement is the building block for quantum networks. It is very favorable if the entanglement can be prepared with a high probability. In this paper, we report the deterministic creation of entanglement between an atomic ensemble and a single photon by harnessing Rydberg blockade. We design a scheme that creates entanglement between a single photon's temporal modes and the Rydberg levels that host a collective excitation, using a process of cyclical retrieving and patching. The hybrid entanglement is tested via retrieving the atomic excitation as a second photon and performing correlation measurements, which suggest an entanglement fidelity of 87.8%. Our source of matter-photon entanglement will enable the entangling of remote quantum memories with much higher efficiency.

quant-ph↗

arXiv2021

Pattern Formation in Landau-de Gennes Theory

We study the spherical droplet problem in 3D-Landau de Gennes theory with finite temperature. By rigorously constructing the biaxial-ring solutions and split-core-segment solutions, we theoretically confirm the numerical results of Gartland-Mkaddem in [14]. The structures of disclinations are also addressed.

math.AP↗

arXiv2021

GraphHINGE: Learning Interaction Models of Structured Neighborhood on Heterogeneous Information Network

Heterogeneous information network (HIN) has been widely used to characterize entities of various types and their complex relations. Recent attempts either rely on explicit path reachability to leverage path-based semantic relatedness or graph neighborhood to learn heterogeneous network representations before predictions. These weakly coupled manners overlook the rich interactions among neighbor nodes, which introduces an early summarization issue. In this paper, we propose GraphHINGE (Heterogeneous INteract and aggreGatE), which captures and aggregates the interactive patterns between each pair of nodes through their structured neighborhoods. Specifically, we first introduce Neighborhood-based Interaction (NI) module to model the interactive patterns under the same metapaths, and then extend it to Cross Neighborhood-based Interaction (CNI) module to deal with different metapaths. Next, in order to address the complexity issue on large-scale networks, we formulate the interaction modules via a convolutional framework and learn the parameters efficiently with fast Fourier transform. Furthermore, we design a novel neighborhood-based selection (NS) mechanism, a sampling strategy, to filter high-order neighborhood information based on their low-order performance. The extensive experiments on six different types of heterogeneous graphs demonstrate the performance gains by comparing with state-of-the-arts in both click-through rate prediction and top-N recommendation tasks.

cs.IR↗

arXiv2021

Glancing Transformer for Non-Autoregressive Neural Machine Translation

Recent work on non-autoregressive neural machine translation (NAT) aims at improving the efficiency by parallel decoding without sacrificing the quality. However, existing NAT methods are either inferior to Transformer or require multiple decoding passes, leading to reduced speedup. We propose the Glancing Language Model (GLM), a method to learn word interdependency for single-pass parallel generation models. With GLM, we develop Glancing Transformer (GLAT) for machine translation. With only single-pass parallel decoding, GLAT is able to generate high-quality translation with 8-15 times speedup. Experiments on multiple WMT language directions show that GLAT outperforms all previous single pass non-autoregressive methods, and is nearly comparable to Transformer, reducing the gap to 0.25-0.9 BLEU points.

cs.CL↗

arXiv2021

MapGo: Model-Assisted Policy Optimization for Goal-Oriented Tasks

In Goal-oriented Reinforcement learning, relabeling the raw goals in past experience to provide agents with hindsight ability is a major solution to the reward sparsity problem. In this paper, to enhance the diversity of relabeled goals, we develop FGI (Foresight Goal Inference), a new relabeling strategy that relabels the goals by looking into the future with a learned dynamics model. Besides, to improve sample efficiency, we propose to use the dynamics model to generate simulated trajectories for policy training. By integrating these two improvements, we introduce the MapGo framework (Model-Assisted Policy Optimization for Goal-oriented tasks). In our experiments, we first show the effectiveness of the FGI strategy compared with the hindsight one, and then show that the MapGo framework achieves higher sample efficiency when compared to model-free baselines on a set of complicated tasks.

cs.AI↗

arXiv2021

Measurement-Device-Independent Verification of a Quantum Memory

In this paper we report an experiment that verifies an atomic-ensemble quantum memory via a measurement-device-independent scheme. A single photon generated via Rydberg blockade in one atomic ensemble is stored in another atomic ensemble via electromagnetically induced transparency. After storage for a long duration, this photon is retrieved and interfered with a second photon to perform joint Bell-state measurement (BSM). Quantum state for each photon is chosen based on a quantum random number generator respectively in each run. By evaluating correlations between the random states and BSM results, we certify that our memory is genuinely entanglement-preserving.

quant-ph↗

arXiv2021

An Adversarial Imitation Click Model for Information Retrieval

Modern information retrieval systems, including web search, ads placement, and recommender systems, typically rely on learning from user feedback. Click models, which study how users interact with a ranked list of items, provide a useful understanding of user feedback for learning ranking models. Constructing "right" dependencies is the key of any successful click model. However, probabilistic graphical models (PGMs) have to rely on manually assigned dependencies, and oversimplify user behaviors. Existing neural network based methods promote PGMs by enhancing the expressive ability and allowing flexible dependencies, but still suffer from exposure bias and inferior estimation. In this paper, we propose a novel framework, Adversarial Imitation Click Model (AICM), based on imitation learning. Firstly, we explicitly learn the reward function that recovers users' intrinsic utility and underlying intentions. Secondly, we model user interactions with a ranked list as a dynamic system instead of one-step click prediction, alleviating the exposure bias problem. Finally, we minimize the JS divergence through adversarial training and learn a stable distribution of click sequences, which makes AICM generalize well across different distributions of ranked lists. A theoretical analysis has indicated that AICM reduces the exposure bias from $O(T^2)$ to $O(T)$. Our studies on a public web search dataset show that AICM not only outperforms state-of-the-art models in traditional click metrics but also achieves superior performance in addressing the exposure bias and recovering the underlying patterns of click sequences.

cs.IR↗

arXiv2021

MARS: Markov Molecular Sampling for Multi-objective Drug Discovery

Searching for novel molecules with desired chemical properties is crucial in drug discovery. Existing work focuses on developing neural models to generate either molecular sequences or chemical graphs. However, it remains a big challenge to find novel and diverse compounds satisfying several properties. In this paper, we propose MARS, a method for multi-objective drug molecule discovery. MARS is based on the idea of generating the chemical candidates by iteratively editing fragments of molecular graphs. To search for high-quality candidates, it employs Markov chain Monte Carlo sampling (MCMC) on molecules with an annealing scheme and an adaptive proposal. To further improve sample efficiency, MARS uses a graph neural network (GNN) to represent and select candidate edits, where the GNN is trained on-the-fly with samples from MCMC. Experiments show that MARS achieves state-of-the-art performance in various multi-objective settings where molecular bio-activity, drug-likeness, and synthesizability are considered. Remarkably, in the most challenging setting where all four objectives are simultaneously optimized, our approach outperforms previous methods significantly in comprehensive evaluations. The code is available at https://github.com/yutxie/mars.

q-bio.BM↗

arXiv2021

Universal Trading for Order Execution with Oracle Policy Distillation

As a fundamental problem in algorithmic trading, order execution aims at fulfilling a specific trading order, either liquidation or acquirement, for a given instrument. Towards effective execution strategy, recent years have witnessed the shift from the analytical view with model-based market assumptions to model-free perspective, i.e., reinforcement learning, due to its nature of sequential decision optimization. However, the noisy and yet imperfect market information that can be leveraged by the policy has made it quite challenging to build up sample efficient reinforcement learning methods to achieve effective order execution. In this paper, we propose a novel universal trading policy optimization framework to bridge the gap between the noisy yet imperfect market states and the optimal action sequences for order execution. Particularly, this framework leverages a policy distillation method that can better guide the learning of the common policy towards practically optimal execution by an oracle teacher with perfect information to approximate the optimal trading strategy. The extensive experiments have shown significant improvements of our method over various strong baselines, with reasonable trading actions.

q-fin.TR↗

arXiv2021

Towards Generalized Implementation of Wasserstein Distance in GANs

Wasserstein GANs (WGANs), built upon the Kantorovich-Rubinstein (KR) duality of Wasserstein distance, is one of the most theoretically sound GAN models. However, in practice it does not always outperform other variants of GANs. This is mostly due to the imperfect implementation of the Lipschitz condition required by the KR duality. Extensive work has been done in the community with different implementations of the Lipschitz constraint, which, however, is still hard to satisfy the restriction perfectly in practice. In this paper, we argue that the strong Lipschitz constraint might be unnecessary for optimization. Instead, we take a step back and try to relax the Lipschitz constraint. Theoretically, we first demonstrate a more general dual form of the Wasserstein distance called the Sobolev duality, which relaxes the Lipschitz constraint but still maintains the favorable gradient property of the Wasserstein distance. Moreover, we show that the KR duality is actually a special case of the Sobolev duality. Based on the relaxed duality, we further propose a generalized WGAN training scheme named Sobolev Wasserstein GAN (SWGAN), and empirically demonstrate the improvement of SWGAN over existing methods with extensive experiments.

cs.LG↗

arXiv2021

Entanglement of two quantum memories via fibers over dozens of kilometres

Quantum internet will enable a number of revolutionary applications. It relies on entanglement of remote quantum memories over long distances. Despite enormous progresses so far, the maximal physical separation achieved between two nodes is 1.3 km, and challenges for long distance remain. Here we make a significant step forward by entangling two atomic ensembles in one lab via photon transmission through metropolitan-scale fibers. We use cavity enhancement to create bright atom-photon entanglement, and harness quantum frequency conversion to shift the atomic wavelength to telecom. We realize entanglement over 22 km field-deployed fibers via two-photon interference, and entanglement over 50 km coiled fibers via single-photon interference. Our experiment can be extended to physically separated nodes with similar distance as a functional segment for atomic quantum networks, thus paving the way towards establishing atomic entanglement over many nodes and over much longer distance.

quant-ph↗

arXiv2020

Improving Knowledge Tracing via Pre-training Question Embeddings

Knowledge tracing (KT) defines the task of predicting whether students can correctly answer questions based on their historical response. Although much research has been devoted to exploiting the question information, plentiful advanced information among questions and skills hasn't been well extracted, making it challenging for previous work to perform adequately. In this paper, we demonstrate that large gains on KT can be realized by pre-training embeddings for each question on abundant side information, followed by training deep KT models on the obtained embeddings. To be specific, the side information includes question difficulty and three kinds of relations contained in a bipartite graph between questions and skills. To pre-train the question embeddings, we propose to use product-based neural networks to recover the side information. As a result, adopting the pre-trained embeddings in existing deep KT models significantly outperforms state-of-the-art baselines on three common KT datasets.

cs.IR↗

arXiv2020

U-rank: Utility-oriented Learning to Rank with Implicit Feedback

Learning to rank with implicit feedback is one of the most important tasks in many real-world information systems where the objective is some specific utility, e.g., clicks and revenue. However, we point out that existing methods based on probabilistic ranking principle do not necessarily achieve the highest utility. To this end, we propose a novel ranking framework called U-rank that directly optimizes the expected utility of the ranking list. With a position-aware deep click-through rate prediction model, we address the attention bias considering both query-level and item-level features. Due to the item-specific attention bias modeling, the optimization for expected utility corresponds to a maximum weight matching on the item-position bipartite graph. We base the optimization of this objective in an efficient Lambdaloss framework, which is supported by both theoretical and empirical analysis. We conduct extensive experiments for both web search and recommender systems over three benchmark datasets and two proprietary datasets, where the performance gain of U-rank over state-of-the-arts is demonstrated. Moreover, our proposed U-rank has been deployed on a large-scale commercial recommender and a large improvement over the production baseline has been observed in an online A/B testing.

cs.IR↗