Ruizhong Qiu

Ruizhong Qiu, Zhiqing Sun, Yiming Yang · cmu

Recently, deep reinforcement learning (DRL) models have shown promising results in solving NP-hard Combinatorial Optimization (CO) problems. However, most DRL solvers can only scale to a few hundreds of nodes for combinatorial optimization problems on graphs, such as the Traveling Salesman Problem (TSP). This paper addresses the scalability challenge in large-scale combinatorial optimization by proposing a novel approach, namely, DIMES. Unlike previous DRL methods which suffer from costly autoregressive decoding or iterative refinements of discrete solutions, DIMES introduces a compact continuous space for parameterizing the underlying distribution of candidate solutions. Such a continuous space allows stable REINFORCE-based training and fine-tuning via massively parallel sampling. We further propose a meta-learning framework to enable the effective initialization of model parameters in the fine-tuning stage. Extensive experiments show that DIMES outperforms recent DRL-based methods on large benchmark datasets for Traveling Salesman Problems and Maximal Independent Set problems.

Zhining Liu, Ruizhong Qiu, Zhichen Zeng et al.

Class imbalance is prevalent in real-world node classification tasks and poses great challenges for graph learning models. Most existing studies are rooted in a class-rebalancing (CR) perspective and address class imbalance with class-wise reweighting or resampling. In this work, we approach the root cause of class-imbalance bias from an topological paradigm. Specifically, we theoretically reveal two fundamental phenomena in the graph topology that greatly exacerbate the predictive bias stemming from class imbalance. On this basis, we devise a lightweight topological augmentation framework BAT to mitigate the class-imbalance bias without class rebalancing. Being orthogonal to CR, BAT can function as an efficient plug-and-play module that can be seamlessly combined with and significantly boost existing CR techniques. Systematic experiments on real-world imbalanced graph learning tasks show that BAT can deliver up to 46.27% performance gain and up to 72.74% bias reduction over existing techniques. Code, examples, and documentations are available at https://github.com/ZhiningLiu1998/BAT.

Ruizhong Qiu, Dingsu Wang, Lei Ying et al.

Diffusion on graphs is ubiquitous with numerous high-impact applications. In these applications, complete diffusion histories play an essential role in terms of identifying dynamical patterns, reflecting on precaution actions, and forecasting intervention effects. Despite their importance, complete diffusion histories are rarely available and are highly challenging to reconstruct due to ill-posedness, explosive search space, and scarcity of training data. To date, few methods exist for diffusion history reconstruction. They are exclusively based on the maximum likelihood estimation (MLE) formulation and require to know true diffusion parameters. In this paper, we study an even harder problem, namely reconstructing Diffusion history from A single SnapsHot} (DASH), where we seek to reconstruct the history from only the final snapshot without knowing true diffusion parameters. We start with theoretical analyses that reveal a fundamental limitation of the MLE formulation. We prove: (a) estimation error of diffusion parameters is unavoidable due to NP-hardness of diffusion parameter estimation, and (b) the MLE formulation is sensitive to estimation error of diffusion parameters. To overcome the inherent limitation of the MLE formulation, we propose a novel barycenter formulation: finding the barycenter of the posterior distribution of histories, which is provably stable against the estimation error of diffusion parameters. We further develop an effective solver named DIffusion hiTting Times with Optimal proposal (DITTO) by reducing the problem to estimating posterior expected hitting times via the Metropolis--Hastings Markov chain Monte Carlo method (M--H MCMC) and employing an unsupervised graph neural network to learn an optimal proposal to accelerate the convergence of M--H MCMC. We conduct extensive experiments to demonstrate the efficacy of the proposed method.

Xuying Ning, Katherine Tieu, Dongqi Fu et al.

Recent large language models (LLMs) have demonstrated strong capabilities in understanding and generating code, from competitive programming to repository-level software engineering. In emerging agentic systems, code is no longer only a target output. It increasingly serves as an operational substrate for agent reasoning, acting, environment modeling, and execution-based verification. We frame this shift through the lens of agent harnesses and introduce code as agent harness: a unified view that centers code as the basis for agent infrastructure. To systematically study this perspective, we organize the survey around three connected layers. First, we study the harness interface, where code connects agents to reasoning, action, and environment modeling. Second, we examine harness mechanisms: planning, memory, and tool use for long-horizon execution, together with feedback-driven control and optimization that make harness reliable and adaptive. Third, we discuss scaling the harness from single-agent systems to multi-agent settings, where shared code artifacts support multi-agent coordination, review, and verification. Across these layers, we summarize representative methods and practical applications of code as agent harness, spanning coding assistants, GUI/OS automation, embodied agents, scientific discovery, personalization and recommendation, DevOps, and enterprise workflows. We further outline open challenges for harness engineering, including evaluation beyond final task success, verification under incomplete feedback, regression-free harness improvement, consistent shared state across multiple agents, human oversight for safety-critical actions, and extensions to multimodal environments. By centering code as the harness of agentic AI, this survey provides a unified roadmap toward executable, verifiable, and stateful AI agent systems.

Xiao Lin, Zhicheng Tang, Weilin Cong et al.

Sequential recommendation has rapidly advanced in click-through rate prediction due to its ability to model dynamic user interests. A key challenge, however, lies in modeling long sequences: users often exhibit significant interest shifts, introducing substantial irrelevant or misleading information. Our empirical analysis corroborates this challenge and uncovers a recurring behavioral pattern in long sequences (\textit{session hopping}): user interests remain stable within short temporal spans (\textit{sessions}) but shift drastically across sessions and may reappear after multiple sessions. To address this challenge, we propose the Mixture of Sequence (MoS) framework, a model-agnostic MoE approach that achieves accurate predictions by extracting theme-specific and multi-scale subsequences from noisy raw user sequences. First, MoS employs a theme-aware routing mechanism to adaptively learn the latent themes of user sequences and organizes these sequences into multiple coherent subsequences. Each subsequence contains only sessions aligned with a specific theme, thereby effectively filtering out irrelevant or even misleading information introduced by user interest shifts in session hopping. In addition, to alleviate potential information loss, we introduce a multi-scale fusion mechanism, which leverages three types of experts to capture global sequence characteristics, short-term user behaviors, and theme-specific semantic patterns. Together, these two mechanisms endow MoS with the ability to deliver accurate recommendations from multi-faceted and multi-scale perspectives. Experimental results demonstrate that MoS consistently achieves the SOTA performance while introducing fewer FLOPs compared with other MoE counterparts, providing strong evidence of its excellent balance between utility and efficiency. The code is available at https://github.com/xiaolin-cs/MoS.

Ziwei Wu, Lecheng Zheng, Yuancheng Yu et al.

Anomaly detection (AD) has been widely studied for decades in many real-world applications, including fraud detection in finance, and intrusion detection for cybersecurity, etc. Due to the imbalanced nature between protected and unprotected groups and the imbalanced distributions of normal examples and anomalies, the learning objectives of most existing anomaly detection methods tend to solely concentrate on the dominating unprotected group. Thus, it has been recognized by many researchers about the significance of ensuring model fairness in anomaly detection. However, the existing fair anomaly detection methods tend to erroneously label most normal examples from the protected group as anomalies in the imbalanced scenario where the unprotected group is more abundant than the protected group. This phenomenon is caused by the improper design of learning objectives, which statistically focus on learning the frequent patterns (i.e., the unprotected group) while overlooking the under-represented patterns (i.e., the protected group). To address these issues, we propose FairAD, a fairness-aware anomaly detection method targeting the imbalanced scenario. It consists of a fairness-aware contrastive learning module and a rebalancing autoencoder module to ensure fairness and handle the imbalanced data issue, respectively. Moreover, we provide the theoretical analysis that shows our proposed contrastive learning regularization guarantees group fairness. Empirical studies demonstrate the effectiveness and efficiency of FairAD across multiple real-world datasets.

Xiao Lin, Zhining Liu, Ze Yang et al.

Warning: This paper contains examples of harmful language and images. Reader discretion is advised. Recently, vision-language models have demonstrated increasing influence in morally sensitive domains such as autonomous driving and medical analysis, owing to their powerful multimodal reasoning capabilities. As these models are deployed in high-stakes real-world applications, it is of paramount importance to ensure that their outputs align with human moral values and remain within moral boundaries. However, existing work on moral alignment either focuses solely on textual modalities or relies heavily on AI-generated images, leading to distributional biases and reduced realism. To overcome these limitations, we introduce MORALISE, a comprehensive benchmark for evaluating the moral alignment of vision-language models (VLMs) using diverse, expert-verified real-world data. We begin by proposing a comprehensive taxonomy of 13 moral topics grounded in Turiel's Domain Theory, spanning the personal, interpersonal, and societal moral domains encountered in everyday life. Built on this framework, we manually curate 2,481 high-quality image-text pairs, each annotated with two fine-grained labels: (1) topic annotation, identifying the violated moral topic(s), and (2) modality annotation, indicating whether the violation arises from the image or the text. For evaluation, we encompass two tasks, \textit{moral judgment} and \textit{moral norm attribution}, to assess models' awareness of moral violations and their reasoning ability on morally salient content. Extensive experiments on 19 popular open- and closed-source VLMs show that MORALISE poses a significant challenge, revealing persistent moral limitations in current state-of-the-art models. The full benchmark is publicly available at https://huggingface.co/datasets/Ze1025/MORALISE.

Zhining Liu, Ze Yang, Xiao Lin et al.

Time-series forecasting plays a critical role in many real-world applications. Although increasingly powerful models have been developed and achieved superior results on benchmark datasets, through a fine-grained sample-level inspection, we find that (i) no single model consistently outperforms others across different test samples, but instead (ii) each model excels in specific cases. These findings prompt us to explore how to adaptively leverage the distinct strengths of various forecasting models for different samples. We introduce TimeFuse, a framework for collective time-series forecasting with sample-level adaptive fusion of heterogeneous models. TimeFuse utilizes meta-features to characterize input time series and trains a learnable fusor to predict optimal model fusion weights for any given input. The fusor can leverage samples from diverse datasets for joint training, allowing it to adapt to a wide variety of temporal patterns and thus generalize to new inputs, even from unseen datasets. Extensive experiments demonstrate the effectiveness of TimeFuse in various long-/short-term forecasting tasks, achieving near-universal improvement over the state-of-the-art individual models. Code is available at https://github.com/ZhiningLiu1998/TimeFuse.

Qi Yu, Zhichen Zeng, Yuchen Yan et al.

Network alignment (NA) aims to identify node correspondence across different networks and serves as a critical cornerstone behind various downstream multi-network learning tasks. Despite growing research in NA, there lacks a comprehensive library that facilitates the systematic development and benchmarking of NA methods. In this work, we introduce PLANETALIGN, a comprehensive Python library for network alignment that features a rich collection of built-in datasets, methods, and evaluation pipelines with easy-to-use APIs. Specifically, PLANETALIGN integrates 18 datasets and 14 NA methods with extensible APIs for easy use and development of NA methods. Our standardized evaluation pipeline encompasses a wide range of metrics, enabling a systematic assessment of the effectiveness, scalability, and robustness of NA methods. Through extensive comparative studies, we reveal practical insights into the strengths and limitations of existing NA methods. We hope that PLANETALIGN can foster a deeper understanding of the NA problem and facilitate the development and benchmarking of more effective, scalable, and robust methods in the future. The source code of PLANETALIGN is available at https://github.com/yq-leo/PlanetAlign.

Gaotang Li, Ruizhong Qiu, Xiusi Chen et al.

Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. To this end, we study a general family of probability-based objectives and characterize their effectiveness under different conditions. Through comprehensive experiments and extensive ablation studies across 7 model backbones, 14 benchmarks, and 3 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., $-p$, $-p^{10}$, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. Our code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.

Zhining Liu, Ruizhong Qiu, Zhichen Zeng et al.

Data collected in the real world often encapsulates historical discrimination against disadvantaged groups and individuals. Existing fair machine learning (FairML) research has predominantly focused on mitigating discriminative bias in the model prediction, with far less effort dedicated towards exploring how to trace biases present in the data, despite its importance for the transparency and interpretability of FairML. To fill this gap, we investigate a novel research problem: discovering samples that reflect biases/prejudices from the training data. Grounding on the existing fairness notions, we lay out a sample bias criterion and propose practical algorithms for measuring and countering sample bias. The derived bias score provides intuitive sample-level attribution and explanation of historical bias in data. On this basis, we further design two FairML strategies via sample-bias-informed minimal data editing. They can mitigate both group and individual unfairness at the cost of minimal or zero predictive utility loss. Extensive experiments and analyses on multiple real-world datasets demonstrate the effectiveness of our methods in explaining and mitigating unfairness. Code is available at https://github.com/ZhiningLiu1998/AIM.

Ruizhong Qiu, Weiliang Will Zeng, James Ezick et al.

The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .

Zhe Xu, Ruizhong Qiu, Yuzhong Chen et al.

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks. Overall, according to the space of states and time steps, diffusion generative models can be categorized into discrete-/continuous-state discrete-/continuous-time fashions. In this paper, we formulate the graph diffusion generation in a discrete-state continuous-time setting, which has never been studied in previous graph diffusion models. The rationale of such a formulation is to preserve the discrete nature of graph-structured data and meanwhile provide flexible sampling trade-offs between sample quality and efficiency. Analysis shows that our training objective is closely related to generation quality, and our proposed generation framework enjoys ideal invariant/equivariant properties concerning the permutation of node ordering. Our proposed model shows competitive empirical performance against state-of-the-art graph generation solutions on various benchmarks and, at the same time, can flexibly trade off the generation quality and efficiency in the sampling phase.

Lihui Liu, Zihao Wang, Ruizhong Qiu et al.

Despite the superb performance in many tasks, large language models (LLMs) bear the risk of generating hallucination or even wrong answers when confronted with tasks that demand the accuracy of knowledge. The issue becomes even more noticeable when addressing logic queries that require multiple logic reasoning steps. On the other hand, knowledge graph (KG) based question answering methods are capable of accurately identifying the correct answers with the help of knowledge graph, yet its accuracy could quickly deteriorate when the knowledge graph itself is sparse and incomplete. It remains a critical challenge on how to integrate knowledge graph reasoning with LLMs in a mutually beneficial way so as to mitigate both the hallucination problem of LLMs as well as the incompleteness issue of knowledge graphs. In this paper, we propose 'Logic-Query-of-Thoughts' (LGOT) which is the first of its kind to combine LLMs with knowledge graph based logic query reasoning. LGOT seamlessly combines knowledge graph reasoning and LLMs, effectively breaking down complex logic queries into easy to answer subquestions. Through the utilization of both knowledge graph reasoning and LLMs, it successfully derives answers for each subquestion. By aggregating these results and selecting the highest quality candidate answers for each step, LGOT achieves accurate results to complex questions. Our experimental findings demonstrate substantial performance enhancements, with up to 20% improvement over ChatGPT.

Zhichen Zeng, Ruizhong Qiu, Wenxuan Bao et al.

Graph neural networks, despite their impressive performance, are highly vulnerable to distribution shifts on graphs. Existing graph domain adaptation (graph DA) methods often implicitly assume a \textit{mild} shift between source and target graphs, limiting their applicability to real-world scenarios with \textit{large} shifts. Gradual domain adaptation (GDA) has emerged as a promising approach for addressing large shifts by gradually adapting the source model to the target domain via a path of unlabeled intermediate domains. Existing GDA methods exclusively focus on independent and identically distributed (IID) data with a predefined path, leaving their extension to \textit{non-IID graphs without a given path} an open challenge. To bridge this gap, we present Gadget, the first GDA framework for non-IID graph data. First (\textit{theoretical foundation}), the Fused Gromov-Wasserstein (FGW) distance is adopted as the domain discrepancy for non-IID graphs, based on which, we derive an error bound revealing that the target domain error is proportional to the length of the path. Second (\textit{optimal path}), guided by the error bound, we identify the FGW geodesic as the optimal path, which can be efficiently generated by our proposed algorithm. The generated path can be seamlessly integrated with existing graph DA methods to handle large shifts on graphs, improving state-of-the-art graph DA methods by up to 6.8\% in node classification accuracy on real-world datasets.

Ting-Wei Li, Ruizhong Qiu, Hanghang Tong

Graph domain adaptation (GDA) is a fundamental task in graph machine learning, with techniques like shift-robust graph neural networks (GNNs) and specialized training procedures to tackle the distribution shift problem. Although these model-centric approaches show promising results, they often struggle with severe shifts and constrained computational resources. To address these challenges, we propose a novel model-free framework, GRADATE (GRAph DATa sElector), that selects the best training data from the source domain for the classification task on the target domain. GRADATE picks training samples without relying on any GNN model's predictions or training recipes, leveraging optimal transport theory to capture and adapt to distribution changes. GRADATE is data-efficient, scalable and meanwhile complements existing model-centric GDA approaches. Through comprehensive empirical studies on several real-world graph-level datasets and multiple covariate shift types, we demonstrate that GRADATE outperforms existing selection methods and enhances off-the-shelf GDA methods with much fewer training data.

Ruizhong Qiu, Ting-Wei Li, Gaotang Li et al.

Graph neural networks (GNNs) have emerged as a powerful tool for modeling graph-structured data. However, existing GNNs often struggle with heterophilic graphs, where connected nodes tend to have dissimilar features or labels. While numerous methods have been proposed to address this challenge, they primarily focus on architectural designs without directly targeting the root cause of the heterophily problem. These approaches still perform even worse than the simplest MLPs on challenging heterophilic datasets. For instance, our experiments show that 21 latest GNNs still fall behind the MLP on the Actor dataset. This critical challenge calls for an innovative approach to addressing graph heterophily beyond architectural designs. To bridge this gap, we propose and study a new and unexplored paradigm: directly increasing the graph homophily via a carefully designed graph transformation. In this work, we present a simple yet effective framework called GRAPHITE to address graph heterophily. To the best of our knowledge, this work is the first method that explicitly transforms the graph to directly improve the graph homophily. Stemmed from the exact definition of homophily, our proposed GRAPHITE creates feature nodes to facilitate homophilic message passing between nodes that share similar features. Furthermore, we both theoretically and empirically show that our proposed GRAPHITE significantly increases the homophily of originally heterophilic graphs, with only a slight increase in the graph size. Extensive experiments on challenging datasets demonstrate that our proposed GRAPHITE significantly outperforms state-of-the-art methods on heterophilic graphs while achieving comparable accuracy with state-of-the-art methods on homophilic graphs.

Mufei Li, Dongqi Fu, Limei Wang et al. · gatech

Modern long-context large language models (LLMs) perform well on synthetic "needle-in-a-haystack" (NIAH) benchmarks, but such tests overlook how noisy contexts arise from biased retrieval and agentic workflows. We argue that haystack engineering is necessary to construct noisy long contexts that faithfully capture key real-world factors -- distraction from heterogeneous biased retrievers and cascading errors in agentic workflows -- to test models' long-context robustness. We instantiate it through HaystackCraft, a new NIAH benchmark built on the full English Wikipedia hyperlink network with multi-hop questions. HaystackCraft evaluates how heterogeneous retrieval strategies (e.g., sparse, dense, hybrid, and graph-based) affect distractor composition, haystack ordering, and downstream LLM performance. HaystackCraft further extends NIAH to dynamic, LLM-dependent settings that simulate agentic operations, where models refine queries, reflect on their past reasonings, and decide when to stop. Experiments with 15 long-context models show that (1) while stronger dense retrievers can introduce more challenging distractors, graph-based reranking simultaneously improves retrieval effectiveness and mitigates more harmful distractors; (2) in agentic tests, even advanced models like Gemini 2.5 Pro and GPT-5 suffer cascading failures from self-generated distractors or struggle to perform early stops. These results highlight persistent challenges in agentic long-context reasoning and establish HaystackCraft as a valuable testbed for future progress.

Dingsu Wang, Yuchen Yan, Ruizhong Qiu et al.

Multivariate time series (MTS) imputation is a widely studied problem in recent years. Existing methods can be divided into two main groups, including (1) deep recurrent or generative models that primarily focus on time series features, and (2) graph neural networks (GNNs) based models that utilize the topological information from the inherent graph structure of MTS as relational inductive bias for imputation. Nevertheless, these methods either neglect topological information or assume the graph structure is fixed and accurately known. Thus, they fail to fully utilize the graph dynamics for precise imputation in more challenging MTS data such as networked time series (NTS), where the underlying graph is constantly changing and might have missing edges. In this paper, we propose a novel approach to overcome these limitations. First, we define the problem of imputation over NTS which contains missing values in both node time series features and graph structures. Then, we design a new model named PoGeVon which leverages variational autoencoder (VAE) to predict missing values over both node time series features and graph structures. In particular, we propose a new node position embedding based on random walk with restart (RWR) in the encoder with provable higher expressive power compared with message-passing based graph neural networks (GNNs). We further design a decoder with 3-stage predictions from the perspective of multi-task learning to impute missing values in both time series and graph structures reciprocally. Experiment results demonstrate the effectiveness of our model over baselines.