Yichen Xu

Yanqiao Zhu, Yuanqi Du, Yinkai Wang et al. · uw

Graphs are ubiquitous in encoding relational information of real-world objects in many domains. Graph generation, whose purpose is to generate new graphs from a distribution similar to the observed graphs, has received increasing attention thanks to the recent advances of deep learning models. In this paper, we conduct a comprehensive review on the existing literature of deep graph generation from a variety of emerging methods to its wide application areas. Specifically, we first formulate the problem of deep graph generation and discuss its difference with several related graph learning tasks. Secondly, we divide the state-of-the-art methods into three categories based on model architectures and summarize their generation strategies. Thirdly, we introduce three key application areas of deep graph generation. Lastly, we highlight challenges and opportunities in the future study of deep graph generation. We hope that our survey will be useful for researchers and practitioners who are interested in this exciting and rapidly-developing field.

Yaoyu Zhao, Yichen Xu, Oliver Bračevac et al.

LLM agents increasingly act by writing code, yet a split persists between the runtime that drives the agent and the code the model writes. The runtime owns the loop, context, and control flow, and the model has little say over any of them. Letting model-written code shape the runtime itself would make agents more expressive, but it would also sharpen safety problems. A model can be diverted by a prompt injection, call the wrong tool, or fail partway and leave an inconsistent state, and each such failure reaches further when the code shapes the runtime than when it expresses a single action. We present LACUNA, a programming model for agents that closes this split while preserving safety. Each agent action is a typed call $\texttt{agent[T](task)}$ that the LLM fills with code when execution reaches it, and the code is type-checked against the surrounding program before it runs. Because each action is accepted or rejected as a whole, a rejected one leaves the environment untouched, and its compiler diagnostics drive a retry. The same check also bounds which tools and data an action may use and how they flow. Our primitive expresses ReAct loops, sub-agents, skills, parallel decomposition, and multi-model planning as ordinary control flow. We evaluate LACUNA on a collection of test cases, BrowseComp-Plus, and $τ^2$-bench. On BrowseComp-Plus, $8.6\%$ of generations are rejected before execution, with 0.7 retries per query on average, and the agent reaches $27.1\%$ accuracy. On $τ^2$-bench, LACUNA solves $76.0\%$ of $392$ tasks across four domains with a capable model, on par with the baseline agent.

Yichen Xu, Yanqiao Zhu

As the complexity of modern software continues to escalate, software engineering has become an increasingly daunting and error-prone endeavor. In recent years, the field of Neural Code Intelligence (NCI) has emerged as a promising solution, leveraging the power of deep learning techniques to tackle analytical tasks on source code with the goal of improving programming efficiency and minimizing human errors within the software industry. Pretrained language models have become a dominant force in NCI research, consistently delivering state-of-the-art results across a wide range of tasks, including code summarization, generation, and translation. In this paper, we present a comprehensive survey of the NCI domain, including a thorough review of pretraining techniques, tasks, datasets, and model architectures. We hope this paper will serve as a bridge between the natural language and programming language communities, offering insights for future research in this rapidly evolving field.

Yichen Xu, Yuanhang Liu, Chuhan Wang et al.

While Multimodal Large Language Models (MLLMs) excel at generic video understanding, their ability to support specialized, rule-grounded decision-making remains insufficiently explored. In this paper, we introduce RefereeBench, the first large-scale benchmark for evaluating MLLMs as automatic sports referees. Spanning 11 sports with 925 curated videos and 6,475 QA pairs, RefereeBench evaluates five core officiating abilities: foul existence, foul and penalty classification, foul and penalty reasoning, entity perception, and temporal grounding. The benchmark is fully human-annotated to ensure high-quality annotations grounded in authentic officiating logic and multimodal evidence. Extensive evaluations of state-of-the-art MLLMs show that even the strongest models, such as Doubao-Seed-1.8 and Gemini-3-Pro, achieve only around 60% accuracy, while the strongest open-source model, Qwen3-VL, reaches only 47%. These results indicate that current models remain far from being reliable sports referees. Further analysis shows that while models can often identify incidents and involved entities, they struggle with rule application and temporal grounding, and frequently over-call fouls on normal clips. Our benchmark highlights the need for future MLLMs that better integrate domain knowledge and multimodal understanding, advancing trustworthy AI-assisted officiating and broader multimodal decision-making.

Yichen Xu, Zihan Xu, Wenhao Chai et al.

In order to appropriately filter multi-modality data sets on a web-scale, it becomes crucial to employ suitable filtering methods to boost performance and reduce training costs. For instance, LAION papers employs the CLIP score filter to select data with CLIP scores surpassing a certain threshold. On the other hand, T-MARS achieves high-quality data filtering by detecting and masking text within images and then filtering by CLIP score. Through analyzing the dataset, we observe a significant proportion of redundant information, such as numbers, present in the textual content. Our experiments on a subset of the data unveil the profound impact of these redundant elements on the CLIP scores. A logical approach would involve reevaluating the CLIP scores after eliminating these influences. Experimentally, our text-based CLIP filter outperforms the top-ranked method on the ``small scale" of DataComp (a data filtering benchmark) on ImageNet distribution shifts, achieving a 3.6% performance improvement. The results also demonstrate that our proposed text-masked filter outperforms the original CLIP score filter when selecting the top 40% of the data. The impact of numbers on CLIP and their handling provide valuable insights for improving the effectiveness of CLIP training, including language rewrite techniques.

Dana Kim, Yichen Xu, Tiffany Lin

Large Language Models (LLMs) offer a flexible means to generate synthetic tabular data, yet existing approaches often fail to preserve key causal parameters such as the average treatment effect (ATE). In this technical exploration, we first demonstrate that state-of-the-art synthetic data generators, both GAN- and LLM-based, can achieve high predictive fidelity while substantially misestimating causal effects. To address this gap, we propose a hybrid generation framework that combines model-based covariate synthesis (monitored via distance-to-closest-record filtering) with separately learned propensity and outcome models, thereby ensuring that (W, A, Y) triplets retain their underlying causal structure. We further introduce a synthetic pairing strategy to mitigate positivity violations and a realistic evaluation protocol that leverages unlimited synthetic samples to benchmark traditional estimators (IPTW, AIPW, substitution) under complex covariate distributions. This work lays the groundwork for LLM-powered data pipelines that support robust causal analysis. Our code is available at https://github.com/Xyc-arch/llm-synthetic-for-causal-inference.git.

Liang Zhang, Anwen Hu, Haiyang Xu et al.

Charts are important for presenting and explaining complex data relationships. Recently, multimodal large language models (MLLMs) have shown remarkable capabilities in various chart understanding tasks. However, the sheer size of these models in terms of parameters and computational requirements limits their use in resource-constrained environments. In this paper, we present TinyChart, an efficient MLLM for chart understanding with only 3B parameters. TinyChart overcomes two key challenges in efficient chart understanding: (1) reduce the burden of learning numerical computations through a Program-of-Thoughts (PoT) learning strategy, which trains the model to generate Python programs for numerical calculations, and (2) reduce lengthy vision feature sequences produced by the vision transformer for high-resolution images through a Vision Token Merging module, which gradually merges most similar vision tokens. Extensive experiments demonstrate that our 3B TinyChart achieves SOTA performance on a variety of chart understanding benchmarks including ChartQA, Chart-to-Text, Chart-to-Table, OpenCQA, and ChartX. It outperforms several chart understanding MLLM with up to 13B parameters such as ChartLlama and ChartAst, and close-sourced general-purpose MLLM GPT-4V on ChartQA. It also demonstrates its superior efficiency with higher throughput during inference due to a smaller model scale and more efficient vision encoding. Our code and model are available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/TinyChart.

Jianzhe Ma, Zhonghao Cao, Shangkui Chen et al.

While video large language models (Video-LLMs) excel in understanding slow-paced, real-world egocentric videos, their capabilities in high-velocity, information-dense virtual environments remain under-explored. Existing benchmarks focus on daily activities, yet lack a rigorous testbed for evaluating fast, rule-bound reasoning in virtual scenarios. To fill this gap, we introduce EgoEsportsQA, a pioneering video question-answering (QA) benchmark for grounding perception and reasoning in expert esports knowledge. We curate 1,745 high-quality QA pairs from professional matches across 3 first-person shooter games via a scalable six-stage pipeline. These questions are structured into a two-dimensional decoupled taxonomy: 11 sub-tasks in the cognitive capability dimension (covering perception and reasoning levels) and 6 sub-tasks in the esports knowledge dimension. Comprehensive evaluations of state-of-the-art Video-LLMs reveal that current models still fail to achieve satisfactory performance, with the best model only 71.58%. The results expose notable gaps across both axes: models exhibit stronger capabilities in basic visual perception than in deep tactical reasoning, and they grasp overall macro-progression better than fine-grained micro-operations. Extensive ablation experiments demonstrate the intrinsic weaknesses of current Video-LLM architectures. Further analysis suggests that our dataset not only reveals the connections between real-world and virtual egocentric domains, but also offers guidance for optimizing downstream esports applications, thereby fostering the future advancement of Video-LLMs in various egocentric environments.

Donglu Yang, Liang Zhang, Zihao Yue et al.

Charts are a fundamental visualization format widely used in data analysis across research and industry. While enabling users to edit charts based on high-level intentions is of great practical value, existing methods primarily rely on natural language instructions, which are often too ambiguous to support fine-grained editing. In this work, we introduce a novel paradigm for multimodal chart editing, where user intent is expressed through a combination of natural language and visual indicators that explicitly highlight the elements to be modified. To support this paradigm, we present Chart$\text{M}^3$, a new benchmark for Multimodal chart editing with Multi-level complexity and Multi-perspective evaluation. Chart$\text{M}^3$ contains 1,000 samples spanning four levels of editing difficulty. Each sample includes triplets in the form of (chart, code, multimodal instructions). To comprehensively evaluate chart editing models, Chart$\text{M}^3$ provides metrics that assess both visual appearance and code correctness. Our benchmark reveals significant limitations in current multimodal large language models (MLLMs), including GPT-4o, particularly in their ability to interpret and act on visual indicators. To address this, we construct Chart$\text{M}^3$-Train, a large-scale training set with 24,000 multimodal chart editing samples. Fine-tuning MLLMs on this dataset leads to substantial improvements, demonstrating the importance of multimodal supervision in building practical chart editing systems. Our datasets, codes, and evaluation tools are available at https://github.com/MLrollIT/ChartM3. %https://github.com/MLrollIT/ChartM3Our datasets, codes, and evaluation tools are available at https://github.com/yaolinli/VCE.

Hui Wang, Jieren Cheng, Yichen Xu et al.

Robotic arms are widely used in automatic industries. However, with wide applications of deep learning in robotic arms, there are new challenges such as the allocation of grasping computing power and the growing demand for security. In this work, we propose a robotic arm grasping approach based on deep learning and edge-cloud collaboration. This approach realizes the arbitrary grasp planning of the robot arm and considers the grasp efficiency and information security. In addition, the encoder and decoder trained by GAN enable the images to be encrypted while compressing, which ensures the security of privacy. The model achieves 92% accuracy on the OCID dataset, the image compression ratio reaches 0.03%, and the structural difference value is higher than 0.91.

Martin Odersky, Yaoyu Zhao, Yichen Xu et al.

AI agents that interact with the real world through tool calls pose fundamental safety challenges: agents might leak private information, cause unintended side effects, or be manipulated through prompt injection. To address these challenges, we propose to put the agent in a programming-language-based "safety harness": instead of calling tools directly, agents express their intentions as code in a capability-safe language: Scala 3 with capture checking. Capabilities are program variables that regulate access to effects and resources of interest. Scala's type system tracks capabilities statically, providing fine-grained control over what an agent can do. In particular, it enables local purity, the ability to enforce that sub-computations are side-effect-free, preventing information leakage when agents process classified data. We demonstrate that extensible agent safety harnesses can be built by leveraging a strong type system with tracked capabilities. Our experiments show that agents can generate capability-safe code with no significant loss in task performance, while the type system reliably prevents unsafe behaviors such as information leakage and malicious side effects.

Jianshu Guo, Wenhao Chai, Jie Deng et al.

Recent text-to-image (T2I) models have benefited from large-scale and high-quality data, demonstrating impressive performance. However, these T2I models still struggle to produce images that are aesthetically pleasing, geometrically accurate, faithful to text, and of good low-level quality. We present VersaT2I, a versatile training framework that can boost the performance with multiple rewards of any T2I model. We decompose the quality of the image into several aspects such as aesthetics, text-image alignment, geometry, low-level quality, etc. Then, for every quality aspect, we select high-quality images in this aspect generated by the model as the training set to finetune the T2I model using the Low-Rank Adaptation (LoRA). Furthermore, we introduce a gating function to combine multiple quality aspects, which can avoid conflicts between different quality aspects. Our method is easy to extend and does not require any manual annotation, reinforcement learning, or model architecture changes. Extensive experiments demonstrate that VersaT2I outperforms the baseline methods across various quality criteria.

Zhaoxi Chen, Gyeongsik Moon, Kaiwen Guo et al.

Existing photorealistic relightable hand models require extensive identity-specific observations in different views, poses, and illuminations, and face challenges in generalizing to natural illuminations and novel identities. To bridge this gap, we present URHand, the first universal relightable hand model that generalizes across viewpoints, poses, illuminations, and identities. Our model allows few-shot personalization using images captured with a mobile phone, and is ready to be photorealistically rendered under novel illuminations. To simplify the personalization process while retaining photorealism, we build a powerful universal relightable prior based on neural relighting from multi-view images of hands captured in a light stage with hundreds of identities. The key challenge is scaling the cross-identity training while maintaining personalized fidelity and sharp details without compromising generalization under natural illuminations. To this end, we propose a spatially varying linear lighting model as the neural renderer that takes physics-inspired shading as input feature. By removing non-linear activations and bias, our specifically designed lighting model explicitly keeps the linearity of light transport. This enables single-stage training from light-stage data while generalizing to real-time rendering under arbitrary continuous illuminations across diverse identities. In addition, we introduce the joint learning of a physically based model and our neural relighting model, which further improves fidelity and generalization. Extensive experiments show that our approach achieves superior performance over existing methods in terms of both quality and generalizability. We also demonstrate quick personalization of URHand from a short phone scan of an unseen identity.

Yichen Xu

Synthetic data offers a promising tool for privacy-preserving data release, augmentation, and simulation, but its use in causal inference requires preserving more than predictive fidelity. We show that fully generative tabular synthesizers, including GAN- and LLM-based models, can achieve strong train-on-synthetic-test-on-real performance while substantially distorting causal estimands such as the average treatment effect (ATE). We formalize this failure through sensitivity and tradeoff results showing that ATE preservation requires control of both the generated covariate law and the treatment-effect contrast in the outcome regression. Motivated by this observation, we propose a hybrid synthetic-data framework that generates covariates separately from the treatment and outcome mechanisms, using distance-to-closest-record diagnostics to monitor covariate synthesis and separately learned nuisance models to construct (W, A, Y) triplets. We further study targeted synthetic augmentation for practical positivity problems and characterize when added overlap support helps by improving conditional-effect estimation more than it shifts the covariate distribution. Finally, we develop a synthetic simulation engine for pre-analysis estimator evaluation, enabling finite-sample comparison of OR, IPW, AIPW, and TMLE under realistic covariate structure. Across experiments, hybrid synthetic data substantially improve ATE preservation relative to fully generative baselines and provide a practical diagnostic tool for robust causal analysis.

Junxuan Li, Rawal Khirodkar, Chengan He et al.

High-quality 3D avatar modeling faces a critical trade-off between fidelity and generalization. On the one hand, multi-view studio data enables high-fidelity modeling of humans with precise control over expressions and poses, but it struggles to generalize to real-world data due to limited scale and the domain gap between the studio environment and the real world. On the other hand, recent large-scale avatar models trained on millions of in-the-wild samples show promise for generalization across a wide range of identities, yet the resulting avatars are often of low-quality due to inherent 3D ambiguities. To address this, we present Large-Scale Codec Avatars (LCA), a high-fidelity, full-body 3D avatar model that generalizes to world-scale populations in a feedforward manner, enabling efficient inference. Inspired by the success of large language models and vision foundation models, we present, for the first time, a pre/post-training paradigm for 3D avatar modeling at scale: we pretrain on 1M in-the-wild videos to learn broad priors over appearance and geometry, then post-train on high-quality curated data to enhance expressivity and fidelity. LCA generalizes across hair styles, clothing, and demographics while providing precise, fine-grained facial expressions and finger-level articulation control, with strong identity preservation. Notably, we observe emergent generalization to relightability and loose garment support to unconstrained inputs, and zero-shot robustness to stylized imagery, despite the absence of direct supervision.

Jinhyung Park, Javier Romero, Shunsuke Saito et al.

Parametric body models offer expressive 3D representation of humans across a wide range of poses, shapes, and facial expressions, typically derived by learning a basis over registered 3D meshes. However, existing human mesh modeling approaches struggle to capture detailed variations across diverse body poses and shapes, largely due to limited training data diversity and restrictive modeling assumptions. Moreover, the common paradigm first optimizes the external body surface using a linear basis, then regresses internal skeletal joints from surface vertices. This approach introduces problematic dependencies between internal skeleton and outer soft tissue, limiting direct control over body height and bone lengths. To address these issues, we present ATLAS, a high-fidelity body model learned from 600k high-resolution scans captured using 240 synchronized cameras. Unlike previous methods, we explicitly decouple the shape and skeleton bases by grounding our mesh representation in the human skeleton. This decoupling enables enhanced shape expressivity, fine-grained customization of body attributes, and keypoint fitting independent of external soft-tissue characteristics. ATLAS outperforms existing methods by fitting unseen subjects in diverse poses more accurately, and quantitative evaluations show that our non-linear pose correctives more effectively capture complex poses compared to linear models.

Takehiko Ohkawa, Jihyun Lee, Shunsuke Saito et al.

One can hardly model self-contact of human poses without considering underlying body shapes. For example, the pose of rubbing a belly for a person with a low BMI leads to penetration of the hand into the belly for a person with a high BMI. Despite its relevance, existing self-contact datasets lack the variety of self-contact poses and precise body shapes, limiting conclusive analysis between self-contact poses and shapes. To address this, we begin by introducing the first extensive self-contact dataset with precise body shape registration, Goliath-SC, consisting of 383K self-contact poses across 130 subjects. Using this dataset, we propose generative modeling of self-contact prior conditioned by body shape parameters, based on a body-part-wise latent diffusion with self-attention. We further incorporate this prior into single-view human pose estimation while refining estimated poses to be in contact. Our experiments suggest that shape conditioning is vital to the successful modeling of self-contact pose distribution, hence improving single-view pose estimation in self-contact.

Yichen Xu, Liangyu Chen, Liang Zhang et al.

Charts are a universally adopted medium for interpreting and communicating data. However, existing chart understanding benchmarks are predominantly English-centric, limiting their accessibility and applicability to global audiences. In this paper, we present PolyChartQA, the first large-scale multilingual chart question answering benchmark covering 22,606 charts and 26,151 question-answering pairs across 10 diverse languages. PolyChartQA is built using a decoupled pipeline that separates chart data from rendering code, allowing multilingual charts to be flexibly generated by simply translating the data and reusing the code. We leverage state-of-the-art LLM-based translation and enforce rigorous quality control in the pipeline to ensure the linguistic and semantic consistency of the generated multilingual charts. PolyChartQA facilitates systematic evaluation of multilingual chart understanding. Experiments on both open- and closed-source large vision-language models reveal a significant performance gap between English and other languages, especially low-resource ones with non-Latin scripts. This benchmark lays a foundation for advancing globally inclusive vision-language models.

Yichen Xu, Yuyang Liang, Shan Dai et al.

As large language models (LLMs) continue to grow, the cost of full-parameter fine-tuning has made parameter-efficient fine-tuning (PEFT) the default strategy for downstream adaptation. Constraints from inference latency in scalable serving and fine-tuning cost in edge or rapid-deployment settings make the choice of which layers to fine-tune unavoidable. Yet current practice typically applies PEFT uniformly across all layers, with limited understanding or leverage of layer selection. This paper develops a unified projected residual view of PEFT on top of a frozen base model. Under a local quadratic approximation, layerwise adaptation is governed by three quantities: (i) the projected residual norm (resnorm), which measures how much correctable bias a layer can capture; (ii) the activation energy, which determines feature conditioning; and (iii) layer coupling, which quantifies how strongly residuals interact across layers. We show that, for squared loss and linear adapters, the resnorm equals a normalized gradient norm, activation energy controls ill-conditioning and noise amplification, and weak coupling yields approximately additive layerwise contributions. Building on these insights, we introduce the Layer Card, a reusable diagnostic that summarizes residual signal strength, compute cost, and performance for each layer of a given model. With an identical model and LoRA configuration, Layer Card-guided placement refines the choice of adapted layers to flexibly prioritize different objectives, such as maximizing performance or reducing fine-tuning cost. Moreover, on Qwen3-8B, we show that selectively adapting a subset of layers can achieve performance close to full-layer LoRA while substantially reducing fine-tuning cost and the number of adapter-augmented layers during inference, offering a more cost-performance-aware alternative to full-layer insertion.

Aaron Ferguson, Ahmed A. A. Osman, Berta Bescos et al.

We present MHR, a parametric human body model that combines the decoupled skeleton/shape paradigm of ATLAS with a flexible, modern rig and pose corrective system inspired by the Momentum library. Our model enables expressive, anatomically plausible human animation, supporting non-linear pose correctives, and is designed for robust integration in AR/VR and graphics pipelines.

Liangyu Chen, Yichen Xu, Jianzhe Ma et al.

Chart editing reduces manual effort in visualization design. Typical benchmarks limited in data diversity and assume access to complete chart code, which is seldom in real-world scenarios. To address this gap, we present ChartEditVista, a comprehensive benchmark consisting of 7,964 samples spanning 31 chart categories. It encompasses diverse editing instructions and covers nearly all editable chart elements. The inputs in ChartEditVista include only the original chart image and natural language editing instructions, without the original chart codes. ChartEditVista is generated through a fully automated pipeline that produces, edits, and verifies charts, ensuring high-quality chart editing data. Besides, we introduce two novel fine-grained, rule-based evaluation metrics: the layout metric, which evaluates the position, size and color of graphical components; and the text metric, which jointly assesses textual content and font styling. Building on top of ChartEditVista, we present ChartEditor, a model trained using a reinforcement learning framework that incorporates a novel rendering reward to simultaneously enforce code executability and visual fidelity. Through extensive experiments and human evaluations, we demonstrate that ChartEditVista provides a robust evaluation, while ChartEditor consistently outperforms models with similar-scale and larger-scale on chart editing tasks.

Jiyan Qiu, Lyulin Kuang, Guan Wang et al.

Vehicle aerodynamics optimization has become critical for automotive electrification, where drag reduction directly determines electric vehicle range and energy efficiency. Traditional approaches face an intractable trade-off: computationally expensive Computational Fluid Dynamics (CFD) simulations requiring weeks per design iteration, or simplified models that sacrifice production-grade accuracy. While machine learning offers transformative potential, existing datasets exhibit fundamental limitations -- inadequate mesh resolution, missing vehicle components, and validation errors exceeding 5% -- preventing deployment in industrial workflows. We present DrivAerStar, comprising 12,000 industrial-grade automotive CFD simulations generated using STAR-CCM+${}^\unicode{xAE}$ software. The dataset systematically explores three vehicle configurations through 20 Computer Aided Design (CAD) parameters via Free Form Deformation (FFD) algorithms, including complete engine compartments and cooling systems with realistic internal airflow. DrivAerStar achieves wind tunnel validation accuracy below 1.04% -- a five-fold improvement over existing datasets -- through refined mesh strategies with strict wall $y^+$ control. Benchmarks demonstrate that models trained on this data achieve production-ready accuracy while reducing computational costs from weeks to minutes. This represents the first dataset bridging academic machine learning research and industrial CFD practice, establishing a new standard for data-driven aerodynamic optimization in automotive development. Beyond automotive applications, DrivAerStar demonstrates a paradigm for integrating high-fidelity physics simulations with Artificial Intelligence (AI) across engineering disciplines where computational constraints currently limit innovation.

Yichen Xu, Ryumei Nakada, Linjun Zhang et al.

Transfer learning typically leverages representations learned from a source domain to improve performance on a target task. A common approach is to extract features from a pre-trained model and directly apply them for target prediction. However, this strategy is prone to negative transfer where the source representation fails to align with the target distribution. In this article, we propose Residual Feature Integration (REFINE), a simple yet effective method designed to mitigate negative transfer. Our approach combines a fixed source-side representation with a trainable target-side encoder and fits a shallow neural network on the resulting joint representation, which adapts to the target domain while preserving transferable knowledge from the source domain. Theoretically, we prove that REFINE is sufficient to prevent negative transfer under mild conditions, and derive the generalization bound demonstrating its theoretical benefit. Empirically, we show that REFINE consistently enhances performance across diverse application and data modalities including vision, text, and tabular data, and outperforms numerous alternative solutions. Our method is lightweight, architecture-agnostic, and robust, making it a valuable addition to the existing transfer learning toolbox.

Ryumei Nakada, Yichen Xu, Lexin Li et al.

Imbalanced classification and spurious correlation are common challenges in data science and machine learning. Both issues are linked to data imbalance, with certain groups of data samples significantly underrepresented, which in turn would compromise the accuracy, robustness and generalizability of the learned models. Recent advances have proposed leveraging the flexibility and generative capabilities of large language models (LLMs), typically built on transformer architectures, to generate synthetic samples and to augment the observed data. In the context of imbalanced data, LLMs are used to oversample underrepresented groups and have shown promising improvements. However, there is a clear lack of theoretical understanding of such synthetic data approaches. In this article, we develop novel theoretical foundations to systematically study the roles of synthetic samples in addressing imbalanced classification and spurious correlation. Specifically, we first explicitly quantify the benefits of synthetic oversampling. Next, we analyze the scaling dynamics in synthetic data augmentation, and derive the corresponding scaling law. Finally, we demonstrate the capacity of transformer models to generate high-quality synthetic samples. We further conduct extensive numerical experiments to validate the efficacy of the LLM-based synthetic oversampling and augmentation.

Yanqiao Zhu, Yichen Xu, Qiang Liu et al.

Graph Contrastive Learning (GCL) establishes a new paradigm for learning graph representations without human annotations. Although remarkable progress has been witnessed recently, the success behind GCL is still left somewhat mysterious. In this work, we first identify several critical design considerations within a general GCL paradigm, including augmentation functions, contrasting modes, contrastive objectives, and negative mining techniques. Then, to understand the interplay of different GCL components, we conduct extensive, controlled experiments over a set of benchmark tasks on datasets across various domains. Our empirical studies suggest a set of general receipts for effective GCL, e.g., simple topology augmentations that produce sparse graph views bring promising performance improvements; contrasting modes should be aligned with the granularities of end tasks. In addition, to foster future research and ease the implementation of GCL algorithms, we develop an easy-to-use library PyGCL, featuring modularized CL components, standardized evaluation, and experiment management. We envision this work to provide useful empirical evidence of effective GCL algorithms and offer several insights for future research.

Yanqiao Zhu, Yichen Xu, Hejie Cui et al.

Recently, heterogeneous Graph Neural Networks (GNNs) have become a de facto model for analyzing HGs, while most of them rely on a relative large number of labeled data. In this work, we investigate Contrastive Learning (CL), a key component in self-supervised approaches, on HGs to alleviate the label scarcity problem. We first generate multiple semantic views according to metapaths and network schemas. Then, by pushing node embeddings corresponding to different semantic views close to each other (positives) and pulling other embeddings apart (negatives), one can obtain informative representations without human annotations. However, this CL approach ignores the relative hardness of negative samples, which may lead to suboptimal performance. Considering the complex graph structure and the smoothing nature of GNNs, we propose a structure-aware hard negative mining scheme that measures hardness by structural characteristics for HGs. By synthesizing more negative nodes, we give larger weights to harder negatives with limited computational overhead to further boost the performance. Empirical studies on three real-world datasets show the effectiveness of our proposed method. The proposed method consistently outperforms existing state-of-the-art methods and notably, even surpasses several supervised counterparts.

Yichen Xu, Yanqiao Zhu, Feng Yu et al.

Click-Through Rate (CTR) prediction, whose aim is to predict the probability of whether a user will click on an item, is an essential task for many online applications. Due to the nature of data sparsity and high dimensionality of CTR prediction, a key to making effective prediction is to model high-order feature interaction. An efficient way to do this is to perform inner product of feature embeddings with self-attentive neural networks. To better model complex feature interaction, in this paper we propose a novel DisentanglEd Self-atTentIve NEtwork (DESTINE) framework for CTR prediction that explicitly decouples the computation of unary feature importance from pairwise interaction. Specifically, the unary term models the general importance of one feature on all other features, whereas the pairwise interaction term contributes to learning the pure impact for each feature pair. We conduct extensive experiments using two real-world benchmark datasets. The results show that DESTINE not only maintains computational efficiency but achieves consistent improvements over state-of-the-art baselines.

Yanqiao Zhu, Yichen Xu, Feng Yu et al.

Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.

Yanqiao Zhu, Yichen Xu, Feng Yu et al.

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large number of labeled nodes, which may not be accessible in real-world graph data. In this paper, we present a novel cluster-aware graph neural network (CAGNN) model for unsupervised graph representation learning using self-supervised techniques. In CAGNN, we perform clustering on the node embeddings and update the model parameters by predicting the cluster assignments. Moreover, we observe that graphs often contain inter-class edges, which mislead the GNN model to aggregate noisy information from neighborhood nodes. We further refine the graph topology by strengthening intra-class edges and reducing node connections between different classes based on cluster labels, which better preserves cluster structures in the embedding space. We conduct comprehensive experiments on two benchmark tasks using real-world datasets. The results demonstrate the superior performance of the proposed model over existing baseline methods. Notably, our model gains over 7% improvements in terms of accuracy on node clustering over state-of-the-arts.

Yanqiao Zhu, Yichen Xu, Feng Yu et al.

Graph representation learning nowadays becomes fundamental in analyzing graph-structured data. Inspired by recent success of contrastive methods, in this paper, we propose a novel framework for unsupervised graph representation learning by leveraging a contrastive objective at the node level. Specifically, we generate two graph views by corruption and learn node representations by maximizing the agreement of node representations in these two views. To provide diverse node contexts for the contrastive objective, we propose a hybrid scheme for generating graph views on both structure and attribute levels. Besides, we provide theoretical justification behind our motivation from two perspectives, mutual information and the classical triplet loss. We perform empirical experiments on both transductive and inductive learning tasks using a variety of real-world datasets. Experimental experiments demonstrate that despite its simplicity, our proposed method consistently outperforms existing state-of-the-art methods by large margins. Moreover, our unsupervised method even surpasses its supervised counterparts on transductive tasks, demonstrating its great potential in real-world applications.