arXiv subjects

Yizhou Sun

Publications and source records attributed to Yizhou Sun.

At least 127 records · Page 7Linked to original sources

arXiv2023

Amazon-M2: A Multilingual Multi-locale Shopping Session Dataset for Recommendation and Text Generation

Modeling customer shopping intentions is a crucial task for e-commerce, as it directly impacts user experience and engagement. Thus, accurately understanding customer preferences is essential for providing personalized recommendations. Session-based recommendation, which utilizes customer session data to predict their next interaction, has become increasingly popular. However, existing session datasets have limitations in terms of item attributes, user diversity, and dataset scale. As a result, they cannot comprehensively capture the spectrum of user behaviors and preferences. To bridge this gap, we present the Amazon Multilingual Multi-locale Shopping Session Dataset, namely Amazon-M2. It is the first multilingual dataset consisting of millions of user sessions from six different locales, where the major languages of products are English, German, Japanese, French, Italian, and Spanish. Remarkably, the dataset can help us enhance personalization and understanding of user preferences, which can benefit various existing tasks as well as enable new tasks. To test the potential of the dataset, we introduce three tasks in this work: (1) next-product recommendation, (2) next-product recommendation with domain shifts, and (3) next-product title generation. With the above tasks, we benchmark a range of algorithms on our proposed dataset, drawing new insights for further research and practice. In addition, based on the proposed dataset and tasks, we hosted a competition in the KDD CUP 2023 and have attracted thousands of users and submissions. The winning solutions and the associated workshop can be accessed at our website https://kddcup23.github.io/.

cs.IR↗

arXiv2023

TANGO: Time-Reversal Latent GraphODE for Multi-Agent Dynamical Systems

Learning complex multi-agent system dynamics from data is crucial across many domains, such as in physical simulations and material modeling. Extended from purely data-driven approaches, existing physics-informed approaches such as Hamiltonian Neural Network strictly follow energy conservation law to introduce inductive bias, making their learning more sample efficiently. However, many real-world systems do not strictly conserve energy, such as spring systems with frictions. Recognizing this, we turn our attention to a broader physical principle: Time-Reversal Symmetry, which depicts that the dynamics of a system shall remain invariant when traversed back over time. It still helps to preserve energies for conservative systems and in the meanwhile, serves as a strong inductive bias for non-conservative, reversible systems. To inject such inductive bias, in this paper, we propose a simple-yet-effective self-supervised regularization term as a soft constraint that aligns the forward and backward trajectories predicted by a continuous graph neural network-based ordinary differential equation (GraphODE). It effectively imposes time-reversal symmetry to enable more accurate model predictions across a wider range of dynamical systems under classical mechanics. In addition, we further provide theoretical analysis to show that our regularization essentially minimizes higher-order Taylor expansion terms during the ODE integration steps, which enables our model to be more noise-tolerant and even applicable to irreversible systems. Experimental results on a variety of physical systems demonstrate the effectiveness of our proposed method. Particularly, it achieves an MSE improvement of 11.5 % on a challenging chaotic triple-pendulum systems.

cs.LG↗

arXiv2023

Unveiling Invariances via Neural Network Pruning

Invariance describes transformations that do not alter data's underlying semantics. Neural networks that preserve natural invariance capture good inductive biases and achieve superior performance. Hence, modern networks are handcrafted to handle well-known invariances (ex. translations). We propose a framework to learn novel network architectures that capture data-dependent invariances via pruning. Our learned architectures consistently outperform dense neural networks on both vision and tabular datasets in both efficiency and effectiveness. We demonstrate our framework on multiple deep learning models across 3 vision and 40 tabular datasets.

cs.LG↗

arXiv2023

Generalizing Graph ODE for Learning Complex System Dynamics across Environments

Learning multi-agent system dynamics has been extensively studied for various real-world applications, such as molecular dynamics in biology. Most of the existing models are built to learn single system dynamics from observed historical data and predict the future trajectory. In practice, however, we might observe multiple systems that are generated across different environments, which differ in latent exogenous factors such as temperature and gravity. One simple solution is to learn multiple environment-specific models, but it fails to exploit the potential commonalities among the dynamics across environments and offers poor prediction results where per-environment data is sparse or limited. Here, we present GG-ODE (Generalized Graph Ordinary Differential Equations), a machine learning framework for learning continuous multi-agent system dynamics across environments. Our model learns system dynamics using neural ordinary differential equations (ODE) parameterized by Graph Neural Networks (GNNs) to capture the continuous interaction among agents. We achieve the model generalization by assuming the dynamics across different environments are governed by common physics laws that can be captured via learning a shared ODE function. The distinct latent exogenous factors learned for each environment are incorporated into the ODE function to account for their differences. To improve model performance, we additionally design two regularization losses to (1) enforce the orthogonality between the learned initial states and exogenous factors via mutual information minimization; and (2) reduce the temporal variance of learned exogenous factors within the same system via contrastive learning. Experiments over various physical simulations show that our model can accurately predict system dynamics, especially in the long range, and can generalize well to new systems with few observations.

cs.LG↗

arXiv2023

Concept2Box: Joint Geometric Embeddings for Learning Two-View Knowledge Graphs

Knowledge graph embeddings (KGE) have been extensively studied to embed large-scale relational data for many real-world applications. Existing methods have long ignored the fact many KGs contain two fundamentally different views: high-level ontology-view concepts and fine-grained instance-view entities. They usually embed all nodes as vectors in one latent space. However, a single geometric representation fails to capture the structural differences between two views and lacks probabilistic semantics towards concepts' granularity. We propose Concept2Box, a novel approach that jointly embeds the two views of a KG using dual geometric representations. We model concepts with box embeddings, which learn the hierarchy structure and complex relations such as overlap and disjoint among them. Box volumes can be interpreted as concepts' granularity. Different from concepts, we model entities as vectors. To bridge the gap between concept box embeddings and entity vector embeddings, we propose a novel vector-to-box distance metric and learn both embeddings jointly. Experiments on both the public DBpedia KG and a newly-created industrial KG showed the effectiveness of Concept2Box.

cs.AI↗

arXiv2023

Meta-Path-based Probabilistic Soft Logic for Drug-Target Interaction Prediction

Drug-target interaction (DTI) prediction, which aims at predicting whether a drug will be bounded to a target, have received wide attention recently, with the goal to automate and accelerate the costly process of drug design. Most of the recently proposed methods use single drug-drug similarity and target-target similarity information for DTI prediction, which are unable to take advantage of the abundant information regarding various types of similarities between them. Very recently, some methods are proposed to leverage multi-similarity information, however, they still lack the ability to take into consideration the rich topological information of all sorts of knowledge bases where the drugs and targets reside in. More importantly, the time consumption of these approaches is very high, which prevents the usage of large-scale network information. We thus propose a network-based drug-target interaction prediction approach, which applies probabilistic soft logic (PSL) to meta-paths on a heterogeneous network that contains multiple sources of information, including drug-drug similarities, target-target similarities, drug-target interactions, and other potential information. Our approach is based on the PSL graphical model and uses meta-path counts instead of path instances to reduce the number of rule instances of PSL. We compare our model against five methods, on three open-source datasets. The experimental results show that our approach outperforms all the five baselines in terms of AUPR score and AUC score.

q-bio.BM↗

arXiv2023

CF-GODE: Continuous-Time Causal Inference for Multi-Agent Dynamical Systems

Multi-agent dynamical systems refer to scenarios where multiple units interact with each other and evolve collectively over time. To make informed decisions in multi-agent dynamical systems, such as determining the optimal vaccine distribution plan, it is essential for decision-makers to estimate the continuous-time counterfactual outcomes. However, existing studies of causal inference over time rely on the assumption that units are mutually independent, which is not valid for multi-agent dynamical systems. In this paper, we aim to bridge this gap and study how to estimate counterfactual outcomes in multi-agent dynamical systems. Causal inference in a multi-agent dynamical system has unique challenges: 1) Confounders are time-varying and are present in both individual unit covariates and those of other units; 2) Units are affected by not only their own but also others' treatments; 3) The treatments are naturally dynamic, such as receiving vaccines and boosters in a seasonal manner. We model a multi-agent dynamical system as a graph and propose CounterFactual GraphODE (CF-GODE), a causal model that estimates continuous-time counterfactual outcomes in the presence of inter-dependencies between units. To facilitate continuous-time estimation, we propose Treatment-Induced GraphODE, a novel ordinary differential equation based on GNN, which incorporates dynamical treatments as additional inputs to predict potential outcomes over time. To remove confounding bias, we propose two domain adversarial learning based objectives that learn balanced continuous representation trajectories, which are not predictive of treatments and interference. We further provide theoretical justification to prove their effectiveness. Experiments on two semi-synthetic datasets confirm that CF-GODE outperforms baselines on counterfactual estimation. We also provide extensive analyses to understand how our model works.

cs.LG↗

arXiv2023

ProgSG: Cross-Modality Representation Learning for Programs in Electronic Design Automation

Recent years have witnessed the growing popularity of domain-specific accelerators (DSAs), such as Google's TPUs, for accelerating various applications such as deep learning, search, autonomous driving, etc. To facilitate DSA designs, high-level synthesis (HLS) is used, which allows a developer to compile a high-level description in the form of software code in C and C++ into a design in low-level hardware description languages (such as VHDL or Verilog) and eventually synthesized into a DSA on an ASIC (application-specific integrated circuit) or FPGA (field-programmable gate arrays). However, existing HLS tools still require microarchitecture decisions, expressed in terms of pragmas (such as directives for parallelization and pipelining). To enable more people to design DSAs, it is desirable to automate such decisions with the help of deep learning for predicting the quality of HLS designs. This requires us a deeper understanding of the program, which is a combination of original code and pragmas. Naturally, these programs can be considered as sequence data, for which large language models (LLM) can help. In addition, these programs can be compiled and converted into a control data flow graph (CDFG), and the compiler also provides fine-grained alignment between the code tokens and the CDFG nodes. However, existing works either fail to leverage both modalities or combine the two in shallow or coarse ways. We propose ProgSG allowing the source code sequence modality and the graph modalities to interact with each other in a deep and fine-grained way. To alleviate the scarcity of labeled designs, a pre-training method is proposed based on a suite of compiler's data flow analysis tasks. Experimental results on two benchmark datasets show the superiority of ProgSG over baseline methods that either only consider one modality or combine the two without utilizing the alignment information.

cs.LG↗

arXiv2023

Reply to: Deep reinforced learning heuristic tested on spin-glass ground states: The larger picture

We wish to thank Stefan Boettcher for prompting us to further check and highlight the accuracy and scaling of our results. Here we provide a comprehensive response to the Comment written by him. We argue that the Comment did not account for the fairness of the comparison between different methods in searching for the spin-glass ground states. We demonstrate that, with a reasonably larger number of initial spin configurations, our results agree with the asymptotic scaling form assumed by finite-size corrections.

cond-mat.dis-nn↗

arXiv2023

PaGE-Link: Path-based Graph Neural Network Explanation for Heterogeneous Link Prediction

Transparency and accountability have become major concerns for black-box machine learning (ML) models. Proper explanations for the model behavior increase model transparency and help researchers develop more accountable models. Graph neural networks (GNN) have recently shown superior performance in many graph ML problems than traditional methods, and explaining them has attracted increased interest. However, GNN explanation for link prediction (LP) is lacking in the literature. LP is an essential GNN task and corresponds to web applications like recommendation and sponsored search on web. Given existing GNN explanation methods only address node/graph-level tasks, we propose Path-based GNN Explanation for heterogeneous Link prediction (PaGE-Link) that generates explanations with connection interpretability, enjoys model scalability, and handles graph heterogeneity. Qualitatively, PaGE-Link can generate explanations as paths connecting a node pair, which naturally captures connections between the two nodes and easily transfer to human-interpretable explanations. Quantitatively, explanations generated by PaGE-Link improve AUC for recommendation on citation and user-item graphs by 9 - 35% and are chosen as better by 78.79% of responses in human evaluation.

cs.LG↗

arXiv2023

Code Recommendation for Open Source Software Developers

Open Source Software (OSS) is forming the spines of technology infrastructures, attracting millions of talents to contribute. Notably, it is challenging and critical to consider both the developers' interests and the semantic features of the project code to recommend appropriate development tasks to OSS developers. In this paper, we formulate the novel problem of code recommendation, whose purpose is to predict the future contribution behaviors of developers given their interaction history, the semantic features of source code, and the hierarchical file structures of projects. Considering the complex interactions among multiple parties within the system, we propose CODER, a novel graph-based code recommendation framework for open source software developers. CODER jointly models microscopic user-code interactions and macroscopic user-project interactions via a heterogeneous graph and further bridges the two levels of information through aggregation on file-structure graphs that reflect the project hierarchy. Moreover, due to the lack of reliable benchmarks, we construct three large-scale datasets to facilitate future research in this direction. Extensive experiments show that our CODER framework achieves superior performance under various experimental settings, including intra-project, cross-project, and cold-start recommendation. We will release all the datasets, code, and utilities for data retrieval upon the acceptance of this work.

cs.SE↗

arXiv2023

Bi-Level Attention Graph Neural Networks

Recent graph neural networks (GNNs) with the attention mechanism have historically been limited to small-scale homogeneous graphs (HoGs). However, GNNs handling heterogeneous graphs (HeGs), which contain several entity and relation types, all have shortcomings in handling attention. Most GNNs that learn graph attention for HeGs learn either node-level or relation-level attention, but not both, limiting their ability to predict both important entities and relations in the HeG. Even the best existing method that learns both levels of attention has the limitation of assuming graph relations are independent and that its learned attention disregards this dependency association. To effectively model both multi-relational and multi-entity large-scale HeGs, we present Bi-Level Attention Graph Neural Networks (BA-GNN), scalable neural networks (NNs) that use a novel bi-level graph attention mechanism. BA-GNN models both node-node and relation-relation interactions in a personalized way, by hierarchically attending to both types of information from local neighborhood contexts instead of the global graph context. Rigorous experiments on seven real-world HeGs show BA-GNN consistently outperforms all baselines, and demonstrate quality and transferability of its learned relation-level attention to improve performance of other GNNs.

cs.LG↗

arXiv2023

Question-Answer Sentence Graph for Joint Modeling Answer Selection

This research studies graph-based approaches for Answer Sentence Selection (AS2), an essential component for retrieval-based Question Answering (QA) systems. During offline learning, our model constructs a small-scale relevant training graph per question in an unsupervised manner, and integrates with Graph Neural Networks. Graph nodes are question sentence to answer sentence pairs. We train and integrate state-of-the-art (SOTA) models for computing scores between question-question, question-answer, and answer-answer pairs, and use thresholding on relevance scores for creating graph edges. Online inference is then performed to solve the AS2 task on unseen queries. Experiments on two well-known academic benchmarks and a real-world dataset show that our approach consistently outperforms SOTA QA baseline models.

cs.CL↗

arXiv2023

REVEAL: Retrieval-Augmented Visual-Language Pre-Training with Multi-Source Multimodal Knowledge Memory

In this paper, we propose an end-to-end Retrieval-Augmented Visual Language Model (REVEAL) that learns to encode world knowledge into a large-scale memory, and to retrieve from it to answer knowledge-intensive queries. REVEAL consists of four key components: the memory, the encoder, the retriever and the generator. The large-scale memory encodes various sources of multimodal world knowledge (e.g. image-text pairs, question answering pairs, knowledge graph triplets, etc) via a unified encoder. The retriever finds the most relevant knowledge entries in the memory, and the generator fuses the retrieved knowledge with the input query to produce the output. A key novelty in our approach is that the memory, encoder, retriever and generator are all pre-trained end-to-end on a massive amount of data. Furthermore, our approach can use a diverse set of multimodal knowledge sources, which is shown to result in significant gains. We show that REVEAL achieves state-of-the-art results on visual question answering and image captioning.

cs.CV↗

arXiv2023

Detecting Political Biases of Named Entities and Hashtags on Twitter

Ideological divisions in the United States have become increasingly prominent in daily communication. Accordingly, there has been much research on political polarization, including many recent efforts that take a computational perspective. By detecting political biases in a corpus of text, one can attempt to describe and discern the polarity of that text. Intuitively, the named entities (i.e., the nouns and the phrases that act as nouns) and hashtags in text often carry information about political views. For example, people who use the term "pro-choice" are likely to be liberal, whereas people who use the term "pro-life" are likely to be conservative. In this paper, we seek to reveal political polarities in social-media text data and to quantify these polarities by explicitly assigning a polarity score to entities and hashtags. Although this idea is straightforward, it is difficult to perform such inference in a trustworthy quantitative way. Key challenges include the small number of known labels, the continuous spectrum of political views, and the preservation of both a polarity score and a polarity-neutral semantic meaning in an embedding vector of words. To attempt to overcome these challenges, we propose the Polarity-aware Embedding Multi-task learning (PEM) model. This model consists of (1) a self-supervised context-preservation task, (2) an attention-based tweet-level polarity-inference task, and (3) an adversarial learning task that promotes independence between an embedding's polarity dimension and its semantic dimensions. Our experimental results demonstrate that our PEM model can successfully learn polarity-aware embeddings that perform well classification tasks. We examine a variety of applications and we thereby demonstrate the effectiveness of our PEM model. We also discuss important limitations of our work and encourage caution when applying the it to real-world scenarios.

cs.SI↗

arXiv2023

Neural Compositional Rule Learning for Knowledge Graph Reasoning

Learning logical rules is critical to improving reasoning in KGs. This is due to their ability to provide logical and interpretable explanations when used for predictions, as well as their ability to generalize to other tasks, domains, and data. While recent methods have been proposed to learn logical rules, the majority of these methods are either restricted by their computational complexity and can not handle the large search space of large-scale KGs, or show poor generalization when exposed to data outside the training set. In this paper, we propose an end-to-end neural model for learning compositional logical rules called NCRL. NCRL detects the best compositional structure of a rule body, and breaks it into small compositions in order to infer the rule head. By recurrently merging compositions in the rule body with a recurrent attention unit, NCRL finally predicts a single rule head. Experimental results show that NCRL learns high-quality rules, as well as being generalizable. Specifically, we show that NCRL is scalable, efficient, and yields state-of-the-art results for knowledge graph completion on large-scale KGs. Moreover, we test NCRL for systematic generalization by learning to reason on small-scale observed graphs and evaluating on larger unseen ones.

cs.AI↗

arXiv2022

GStarX: Explaining Graph Neural Networks with Structure-Aware Cooperative Games

Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition not structure-aware. We propose a Graph Structure-aware eXplanation (GStarX) method to leverage the critical graph structure information to improve the explanation. Specifically, we define a scoring function based on a new structure-aware value from the cooperative game theory proposed by Hamiache and Navarro (HN). When used to score node importance, the HN value utilizes graph structures to attribute cooperation surplus between neighbor nodes, resembling message passing in GNNs, so that node importance scores reflect not only the node feature importance, but also the node structural roles. We demonstrate that GStarX produces qualitatively more intuitive explanations, and quantitatively improves explanation fidelity over strong baselines on chemical graph property prediction and text graph sentiment classification.

cs.LG↗

arXiv2022

Dissimilar Nodes Improve Graph Active Learning

Training labels for graph embedding algorithms could be costly to obtain in many practical scenarios. Active learning (AL) algorithms are very helpful to obtain the most useful labels for training while keeping the total number of label queries under a certain budget. The existing Active Graph Embedding framework proposes to use centrality score, density score, and entropy score to evaluate the value of unlabeled nodes, and it has been shown to be capable of bringing some improvement to the node classification tasks of Graph Convolutional Networks. However, when evaluating the importance of unlabeled nodes, it fails to consider the influence of existing labeled nodes on the value of unlabeled nodes. In other words, given the same unlabeled node, the computed informative score is always the same and is agnostic to the labeled node set. With the aim to address this limitation, in this work, we introduce 3 dissimilarity-based information scores for active learning: feature dissimilarity score (FDS), structure dissimilarity score (SDS), and embedding dissimilarity score (EDS). We find out that those three scores are able to take the influence of the labeled set on the value of unlabeled candidates into consideration, boosting our AL performance. According to experiments, our newly proposed scores boost the classification accuracy by 2.1% on average and are capable of generalizing to different Graph Neural Network architectures.

cs.LG↗