Liheng Ma

Sitao Luan, Chenqing Hua, Qincheng Lu et al.

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural Networks (NNs) on graph-structured data, especially on node-level tasks. However, recent work has identified a non-trivial set of datasets where GNN's performance compared to the NN's is not satisfactory. Heterophily, i.e. low homophily, has been considered the main cause of this empirical observation. People have begun to revisit and re-evaluate most existing graph models, including graph transformer and its variants, in the heterophily scenario across various kinds of graphs, e.g. heterogeneous graphs, temporal graphs and hypergraphs. Moreover, numerous graph-related applications are found to be closely related to the heterophily problem. In the past few years, considerable effort has been devoted to studying and addressing the heterophily issue. In this survey, we provide a comprehensive review of the latest progress on heterophilic graph learning, including an extensive summary of benchmark datasets and evaluation of homophily metrics on synthetic graphs, meticulous classification of the most updated supervised and unsupervised learning methods, thorough digestion of the theoretical analysis on homophily/heterophily, and broad exploration of the heterophily-related applications. Notably, through detailed experiments, we are the first to categorize benchmark heterophilic datasets into three sub-categories: malignant, benign and ambiguous heterophily. Malignant and ambiguous datasets are identified as the real challenging datasets to test the effectiveness of new models on the heterophily challenge. Finally, we propose several challenges and future directions for heterophilic graph representation learning.

Yitian Zhang, Liheng Ma, Soumyasundar Pal et al.

The performance of transformers for time-series forecasting has improved significantly. Recent architectures learn complex temporal patterns by segmenting a time-series into patches and using the patches as tokens. The patch size controls the ability of transformers to learn the temporal patterns at different frequencies: shorter patches are effective for learning localized, high-frequency patterns, whereas mining long-term seasonalities and trends requires longer patches. Inspired by this observation, we propose a novel framework, Multi-resolution Time-Series Transformer (MTST), which consists of a multi-branch architecture for simultaneous modeling of diverse temporal patterns at different resolutions. In contrast to many existing time-series transformers, we employ relative positional encoding, which is better suited for extracting periodic components at different scales. Extensive experiments on several real-world datasets demonstrate the effectiveness of MTST in comparison to state-of-the-art forecasting techniques.

Tung Sum Thomas Kwok, Xinyu Wang, Hengzhi He et al.

A major challenge in training TableQA agents, compared to standard text- and image-based agents, is that answers cannot be inferred from a static input but must be reasoned through stepwise transformations of the table state, introducing multi-step reasoning complexity and environmental interaction. This leads to a research question: Can explicit feedback on table transformation action improve model reasoning capability? In this work, we introduce RE-Tab, a plug-and-play framework that architecturally enhances trajectory search via lightweight, training-free reward modeling by formulating the problem as a Partially Observable Markov Decision Process. We demonstrate that providing explicit verifiable rewards during State Transition (``What is the best action?'') and Simulative Reasoning (``Am I sure about the output?'') is crucial to steer the agent's navigation in table states. By enforcing stepwise reasoning with reward feedback in table transformations, RE-Tab achieves state-of-the-art performance in TableQA with almost 25\% drop in inference cost. Furthermore, a direct plug-and-play implementation of RE-Tab brings up to 41.77% improvement in QA accuracy and 33.33% drop in test-time inference samples for consistent answer. Consistent improvement pattern across various LLMs and state-of-the-art benchmarks further confirms RE-Tab's generalisability. The repository is available at https://github.com/ThomasK1018/RE_Tab .

Jiaming Zhou, Abbas Ghaddar, Ge Zhang et al.

Despite recent advances in training and prompting strategies for Large Language Models (LLMs), these models continue to face challenges with complex logical reasoning tasks that involve long reasoning chains. In this work, we explore the potential and limitations of using graph-based synthetic reasoning data as training signals to enhance LLMs' reasoning capabilities. Our extensive experiments, conducted on two established natural language reasoning tasks -- inductive reasoning and spatial reasoning -- demonstrate that supervised fine-tuning (SFT) with synthetic graph-based reasoning data effectively enhances LLMs' reasoning performance without compromising their effectiveness on other standard evaluation benchmarks.

Liheng Ma, Soumyasundar Pal, Yitian Zhang et al.

The existing definitions of graph convolution, either from spatial or spectral perspectives, are inflexible and not unified. Defining a general convolution operator in the graph domain is challenging due to the lack of canonical coordinates, the presence of irregular structures, and the properties of graph symmetries. In this work, we propose a novel and general graph convolution framework by parameterizing the kernels as continuous functions of pseudo-coordinates derived via graph positional encoding. We name this Continuous Kernel Graph Convolution (CKGConv). Theoretically, we demonstrate that CKGConv is flexible and expressive. CKGConv encompasses many existing graph convolutions, and exhibits a stronger expressiveness, as powerful as graph transformers in terms of distinguishing non-isomorphic graphs. Empirically, we show that CKGConv-based Networks outperform existing graph convolutional networks and perform comparably to the best graph transformers across a variety of graph datasets. The code and models are publicly available at https://github.com/networkslab/CKGConv.

Peng Cheng, Jiucheng Zang, Qingnan Li et al.

Muon-style optimizers leverage Newton-Schulz (NS) iterations to orthogonalize updates, yielding update geometries that often outperform Adam-series methods. However, this orthogonalization discards magnitude information, rendering training sensitive to step-size hyperparameters and vulnerable to high-energy bursts. To mitigate this, we introduce TrasMuon (\textbf{T}rust \textbf{R}egion \textbf{A}daptive \textbf{S}caling \textbf{Muon}). TrasMuon preserves the near-isometric geometry of Muon while stabilizing magnitudes through (i) global RMS calibration and (ii) energy-based trust-region clipping. We demonstrate that while reintroducing adaptive scaling improves optimization efficiency, it typically exacerbates instability due to high-energy outliers. TrasMuon addresses this by defining a trust region based on relative energy ratios, confining updates to a stable zone. Empirical experiments on vision and language models demonstrate that TrasMuon converges faster than baselines. Furthermore, experiments without warmup stages confirm TrasMuon's superior stability and robustness.

Zhenghan Tai, Hanwei Wu, Qingchen Hu et al.

Retrieval-Augmented Generation (RAG) is becoming increasingly essential for Question Answering (QA) in the financial sector, where accurate and contextually grounded insights from complex public disclosures are crucial. However, existing financial RAG systems face two significant challenges: (1) they struggle to process heterogeneous data formats, such as text, tables, and figures; and (2) they encounter difficulties in balancing general-domain applicability with company-specific adaptation. To overcome these challenges, we present VeritasFi, an innovative hybrid RAG framework that incorporates a multi-modal preprocessing pipeline alongside a cutting-edge two-stage training strategy for its re-ranking component. VeritasFi enhances financial QA through three key innovations: (1) A multi-modal preprocessing pipeline that seamlessly transforms heterogeneous data into a coherent, machine-readable format. (2) A tripartite hybrid retrieval engine that operates in parallel, combining deep multi-path retrieval over a semantically indexed document corpus, real-time data acquisition through tool utilization, and an expert-curated memory bank for high-frequency questions, ensuring comprehensive scope, accuracy, and efficiency. (3) A two-stage training strategy for the document re-ranker, which initially constructs a general, domain-specific model using anonymized data, followed by rapid fine-tuning on company-specific data for targeted applications. By integrating our proposed designs, VeritasFi presents a groundbreaking framework that greatly enhances the adaptability and robustness of financial RAG systems, providing a scalable solution for both general-domain and company-specific QA tasks. Code accompanying this work is available at https://github.com/simplew4y/VeritasFi.git.

Derek Li, Jiaming Zhou, Leo Maxime Brunswic et al.

The pursuit of general-purpose artificial intelligence depends on large language models (LLMs) that can handle both structured reasoning and open-ended generation. We present Omni-Thinker, a unified reinforcement learning (RL) framework that scales LLMs across diverse tasks by combining hybrid rewards with backward-transfer-guided scheduling. Hybrid rewards integrate rule-based verifiable signals with preference-based evaluations from an LLM-as-a-Judge, enabling learning in both deterministic and subjective domains. Our scheduler orders tasks according to accuracy backward transfer (BWT), reducing forgetting and improving multi-task performance. Experiments across four domains show gains of 6.2% over joint training and 12.4% over model merging. Moreover, we demonstrate that simple assumptions on accuracy transfer yield accurate predictions of curriculum outcomes, with entropy dynamics explaining deviations due to generative tasks. These findings underscore the importance of BWT-aware scheduling and hybrid supervision for scaling RL-based post-training toward general-purpose LLMs.

Yitian Zhang, Liheng Ma, Antonios Valkanas et al.

Koopman operator theory provides a framework for nonlinear dynamical system analysis and time-series forecasting by mapping dynamics to a space of real-valued measurement functions, enabling a linear operator representation. Despite the advantage of linearity, the operator is generally infinite-dimensional. Therefore, the objective is to learn measurement functions that yield a tractable finite-dimensional Koopman operator approximation. In this work, we establish a connection between Koopman operator approximation and linear Recurrent Neural Networks (RNNs), which have recently demonstrated remarkable success in sequence modeling. We show that by considering an extended state consisting of lagged observations, we can establish an equivalence between a structured Koopman operator and linear RNN updates. Building on this connection, we present SKOLR, which integrates a learnable spectral decomposition of the input signal with a multilayer perceptron (MLP) as the measurement functions and implements a structured Koopman operator via a highly parallel linear RNN stack. Numerical experiments on various forecasting benchmarks and dynamical systems show that this streamlined, Koopman-theory-based design delivers exceptional performance.

Yihong Wu, Liheng Ma, Muzhi Li et al.

Large Language Models (LLMs) have demonstrated remarkable versatility, due to the lack of factual knowledge, their application to Question Answering (QA) tasks remains hindered by hallucination. While Retrieval-Augmented Generation mitigates these issues by integrating external knowledge, existing approaches rely heavily on in-context learning, whose performance is constrained by the fundamental reasoning capabilities of LLMs. In this paper, we propose Mujica, a Multi-hop Joint Intelligence for Complex Question Answering, comprising a planner that decomposes questions into a directed acyclic graph of subquestions and a worker that resolves questions via retrieval and reasoning. Additionally, we introduce MyGO (Minimalist policy Gradient Optimization), a novel reinforcement learning method that replaces traditional policy gradient updates with Maximum Likelihood Estimation (MLE) by sampling trajectories from an asymptotically optimal policy. MyGO eliminates the need for gradient rescaling and reference models, ensuring stable and efficient training. Empirical results across multiple datasets demonstrate the effectiveness of Mujica-MyGO in enhancing multi-hop QA performance for various LLMs, offering a scalable and resource-efficient solution for complex QA tasks.

Yajie Luo, Yihong Wu, Muzhi Li et al.

Some Question Answering (QA) systems rely on knowledge bases (KBs) to provide accurate answers. Entity Linking (EL) plays a critical role in linking natural language mentions to KB entries. However, most existing EL methods are designed for long contexts and do not perform well on short, ambiguous user questions in QA tasks. We propose an entity linking agent for QA, based on a Large Language Model that simulates human cognitive workflows. The agent actively identifies entity mentions, retrieves candidate entities, and makes decision. To verify the effectiveness of our agent, we conduct two experiments: tool-based entity linking and QA task evaluation. The results confirm the robustness and effectiveness of our agent.

Xinyu Wang, Yajie Luo, Yihong Wu et al.

Running Automatic Speech Recognition (ASR) models on memory-constrained edge devices requires efficient compression. While layer-wise post-training quantization is effective, it suffers from error accumulation, especially in encoder-decoder architectures. Existing solutions like Quantization Error Propagation (QEP) are suboptimal for ASR due to the model's heterogeneity, processing acoustic features in the encoder while generating text in the decoder. To address this, we propose Fine-grained Alpha for Dynamic Quantization Error Propagation (FADE), which adaptively controls the trade-off between cross-layer error correction and local quantization. Experiments show that FADE significantly improves stability by reducing performance variance across runs, while simultaneously surpassing baselines in mean WER.

Yihong Wu, Liheng Ma, Lei Ding et al.

Group Relative Policy Optimization (GRPO) is a prominent reinforcement learning algorithm for post-training Large Language Models (LLMs). It is commonly believed that GRPO necessitates a large group size to ensure stable training via precise statistical estimation, which incurs substantial computational overhead. In this work, we challenge this assumption by reframing GRPO as a form of contrastive learning, which reveals a fundamental connection to Direct Preference Optimization (DPO). Motivated by DPO's empirical success, we investigate the minimal two-rollout case (2-GRPO), a configuration previously deemed infeasible. We provide a rigorous theoretical analysis to validate 2-GRPO and demonstrate empirically that it achieves performance on par with 16-GRPO, despite using only 1/8 of the rollouts and reducing training time by over 70%.

Muzhi Li, Jinhu Qi, Yihong Wu et al.

Retrieval-augmented generation agents development is hindered by the lack of process-level supervision to effectively guide agentic capabilities like task decomposition, retriever invocation, and stepwise decision-making. While reinforcement learning offers a potential solution, it suffers from sparse rewards and the limited reasoning capabilities of large language models (LLMs). Meanwhile, existing data synthesis methods only produce chain-of-thought rationales and fail to model environmental interactions. In this paper, we propose EviPath, an evidence-anchored reasoning path synthesis paradigm for RAG agent development. EviPath comprises: (i) Abductive Subtask Planning, which decomposes the problem into sub-questions and iteratively plans an optimal solution path based on the dependencies between them; (ii) Faithful Sub-question Answering, which uses supporting evidence to construct a proxy environment to generate reasoning thoughts and answers for each sub-question; and (iii) Conversational Fine-Tuning, which formats the complete agent-environment interaction trajectory into a dialogue format suitable for Supervised Fine-Tuning. EviPath allows LLMs to learn complex reasoning and tool-use capabilities directly from synthesized data. Extensive experiments on widely-used question-answering benchmarks show that an 8B parameter model trained with EviPath-synthesized data significantly and consistently outperforms state-of-the-art baselines with a double-digit absolute EM gain of 14.7% in open-domain question answering.

Soumyasundar Pal, Liheng Ma, Amine Natik et al.

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its predictions. Along with the tremendously increasing research focus on \emph{graph neural networks} (GNNs) in recent years, there have been numerous techniques which strive to capture the uncertainty in their predictions. However, most of these approaches are specifically designed for node or link-level tasks and cannot be directly applied to graph-level learning problems. In this paper, we propose a novel variational modelling framework for the \emph{posterior predictive distribution}~(PPD) to obtain uncertainty-aware prediction in graph-level learning tasks. Based on a graph-level embedding derived from one of the existing GNNs, our framework can learn the PPD in a data-adaptive fashion. Experimental results on several benchmark datasets exhibit the effectiveness of our approach.

Liheng Ma, Soumyasundar Pal, Yingxue Zhang et al.

Transformers have attained outstanding performance across various modalities, owing to their simple but powerful scaled-dot-product (SDP) attention mechanisms. Researchers have attempted to migrate Transformers to graph learning, but most advanced Graph Transformers (GTs) have strayed far from plain Transformers, exhibiting major architectural differences either by integrating message-passing or incorporating sophisticated attention mechanisms. These divergences hinder the easy adoption of training advances for Transformers developed in other domains. Contrary to previous GTs, this work demonstrates that the plain Transformer architecture can be a powerful graph learner. To achieve this, we propose to incorporate three simple, minimal, and easy-to-implement modifications to the plain Transformer architecture to construct our Powerful Plain Graph Transformers (PPGT): (1) simplified $L_2$ attention for measuring the magnitude closeness among tokens; (2) adaptive root-mean-square normalization to preserve token magnitude information; and (3) a simple MLP-based stem for graph positional encoding. Consistent with its theoretical expressivity, PPGT demonstrates noteworthy realized expressivity on the empirical graph expressivity benchmark, comparing favorably to more complicated competitors such as subgraph GNNs and higher-order GNNs. Its outstanding empirical performance across various graph datasets also justifies the practical effectiveness of PPGT.

Yaochen Hu, Mai Zeng, Ge Zhang et al.

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This inference cost is the major obstacle to deploying GNN models with \emph{online prediction} to reflect the potentially dynamic node features. To address this, we propose an approach to reduce the number of nodes that are included during aggregation. We achieve this through a sparse decomposition, learning to approximate node representations using a weighted sum of linearly transformed features of a carefully selected subset of nodes within the extended neighbourhood. The approach achieves linear complexity with respect to the average node degree and the number of layers in the graph neural network. We introduce an algorithm to compute the optimal parameters for the sparse decomposition, ensuring an accurate approximation of the original GNN model, and present effective strategies to reduce the training time and improve the learning process. We demonstrate via extensive experiments that our method outperforms other baselines designed for inference speedup, achieving significant accuracy gains with comparable inference times for both node classification and spatio-temporal forecasting tasks.

Chen Lin, Liheng Ma, Yiyang Chen et al.

This study addresses the limitations of the traditional analysis of message-passing, central to graph learning, by defining {\em \textbf{generalized propagation}} with directed and weighted graphs. The significance manifest in two ways. \textbf{Firstly}, we propose {\em Generalized Propagation Neural Networks} (\textbf{GPNNs}), a framework that unifies most propagation-based graph neural networks. By generating directed-weighted propagation graphs with adjacency function and connectivity function, GPNNs offer enhanced insights into attention mechanisms across various graph models. We delve into the trade-offs within the design space with empirical experiments and emphasize the crucial role of the adjacency function for model expressivity via theoretical analysis. \textbf{Secondly}, we propose the {\em Continuous Unified Ricci Curvature} (\textbf{CURC}), an extension of celebrated {\em Ollivier-Ricci Curvature} for directed and weighted graphs. Theoretically, we demonstrate that CURC possesses continuity, scale invariance, and a lower bound connection with the Dirichlet isoperimetric constant validating bottleneck analysis for GPNNs. We include a preliminary exploration of learned propagation patterns in datasets, a first in the field. We observe an intriguing ``{\em \textbf{decurve flow}}'' - a curvature reduction during training for models with learnable propagation, revealing the evolution of propagation over time and a deeper connection to over-smoothing and bottleneck trade-off.

Liheng Ma, Chen Lin, Derek Lim et al.

Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous works incorporate them using message-passing modules and/or positional encodings. However, Graph Transformers that use message-passing inherit known issues of message-passing, and differ significantly from Transformers used in other domains, thus making transfer of research advances more difficult. On the other hand, Graph Transformers without message-passing often perform poorly on smaller datasets, where inductive biases are more crucial. To bridge this gap, we propose the Graph Inductive bias Transformer (GRIT) -- a new Graph Transformer that incorporates graph inductive biases without using message passing. GRIT is based on several architectural changes that are each theoretically and empirically justified, including: learned relative positional encodings initialized with random walk probabilities, a flexible attention mechanism that updates node and node-pair representations, and injection of degree information in each layer. We prove that GRIT is expressive -- it can express shortest path distances and various graph propagation matrices. GRIT achieves state-of-the-art empirical performance across a variety of graph datasets, thus showing the power that Graph Transformers without message-passing can deliver.

Soumyasundar Pal, Liheng Ma, Yingxue Zhang et al.

Spatio-temporal forecasting has numerous applications in analyzing wireless, traffic, and financial networks. Many classical statistical models often fall short in handling the complexity and high non-linearity present in time-series data. Recent advances in deep learning allow for better modelling of spatial and temporal dependencies. While most of these models focus on obtaining accurate point forecasts, they do not characterize the prediction uncertainty. In this work, we consider the time-series data as a random realization from a nonlinear state-space model and target Bayesian inference of the hidden states for probabilistic forecasting. We use particle flow as the tool for approximating the posterior distribution of the states, as it is shown to be highly effective in complex, high-dimensional settings. Thorough experimentation on several real world time-series datasets demonstrates that our approach provides better characterization of uncertainty while maintaining comparable accuracy to the state-of-the art point forecasting methods.

Liheng Ma, Reihaneh Rabbany, Adriana Romero-Soriano

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore may not be at their full potential when dealing with non-homophilic graphs. In this work, we focus on addressing this limitation and enable Graph Attention Networks (GAT), a commonly used variant of GNNs, to explore the structural information within each graph locality. Inspired by the positional encoding in the Transformers, we propose a framework, termed Graph Attentional Networks with Positional Embeddings (GAT-POS), to enhance GATs with positional embeddings which capture structural and positional information of the nodes in the graph. In this framework, the positional embeddings are learned by a model predictive of the graph context, plugged into an enhanced GAT architecture, which is able to leverage both the positional and content information of each node. The model is trained jointly to optimize for the task of node classification as well as the task of predicting graph context. Experimental results show that GAT-POS reaches remarkable improvement compared to strong GNN baselines and recent structural embedding enhanced GNNs on non-homophilic graphs.

Chen Ma, Liheng Ma, Yingxue Zhang et al.

Personalized recommender systems are increasingly important as more content and services become available and users struggle to identify what might interest them. Thanks to the ability for providing rich information, knowledge graphs (KGs) are being incorporated to enhance the recommendation performance and interpretability. To effectively make use of the knowledge graph, we propose a recommendation model in the hyperbolic space, which facilitates the learning of the hierarchical structure of knowledge graphs. Furthermore, a hyperbolic attention network is employed to determine the relative importances of neighboring entities of a certain item. In addition, we propose an adaptive and fine-grained regularization mechanism to adaptively regularize items and their neighboring representations. Via a comparison using three real-world datasets with state-of-the-art methods, we show that the proposed model outperforms the best existing models by 2-16% in terms of NDCG@K on Top-K recommendation.

Chen Ma, Liheng Ma, Yingxue Zhang et al.

Personalized recommender systems are playing an increasingly important role as more content and services become available and users struggle to identify what might interest them. Although matrix factorization and deep learning based methods have proved effective in user preference modeling, they violate the triangle inequality and fail to capture fine-grained preference information. To tackle this, we develop a distance-based recommendation model with several novel aspects: (i) each user and item are parameterized by Gaussian distributions to capture the learning uncertainties; (ii) an adaptive margin generation scheme is proposed to generate the margins regarding different training triplets; (iii) explicit user-user/item-item similarity modeling is incorporated in the objective function. The Wasserstein distance is employed to determine preferences because it obeys the triangle inequality and can measure the distance between probabilistic distributions. Via a comparison using five real-world datasets with state-of-the-art methods, the proposed model outperforms the best existing models by 4-22% in terms of recall@K on Top-K recommendation.

Chen Ma, Liheng Ma, Yingxue Zhang et al.

The chronological order of user-item interactions can reveal time-evolving and sequential user behaviors in many recommender systems. The items that users will interact with may depend on the items accessed in the past. However, the substantial increase of users and items makes sequential recommender systems still face non-trivial challenges: (1) the hardness of modeling the short-term user interests; (2) the difficulty of capturing the long-term user interests; (3) the effective modeling of item co-occurrence patterns. To tackle these challenges, we propose a memory augmented graph neural network (MA-GNN) to capture both the long- and short-term user interests. Specifically, we apply a graph neural network to model the item contextual information within a short-term period and utilize a shared memory network to capture the long-range dependencies between items. In addition to the modeling of user interests, we employ a bilinear function to capture the co-occurrence patterns of related items. We extensively evaluate our model on five real-world datasets, comparing with several state-of-the-art methods and using a variety of performance metrics. The experimental results demonstrate the effectiveness of our model for the task of Top-K sequential recommendation.