Enhance Graph Alignment for Large Language Models

Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is converting graph data into a format LLMs can comprehend. Graph-to-token approaches are popular in enabling LLMs to process graph information. They transform graphs into sequences of tokens and align them with text tokens through instruction tuning, where self-supervised instruction tuning helps LLMs acquire general knowledge about graphs, and supervised fine-tuning specializes LLMs for the downstream tasks on graphs. Despite their initial success, we find that existing methods have a misalignment between self-supervised tasks and supervised downstream tasks, resulting in negative transfer from self-supervised fine-tuning to downstream tasks. To address these issues, we propose Graph Alignment Large Language Models (GALLM) to benefit from aligned task templates. In the self-supervised tuning stage, we introduce a novel text matching task using templates aligned with downstream tasks. In the task-specific tuning stage, we propose two category prompt methods that learn supervision information from additional explanation with further aligned templates. Experimental evaluations on four datasets demonstrate substantial improvements in supervised learning, multi-dataset generalizability, and particularly in zero-shot capability, highlighting the model's potential as a graph foundation model.

HC-GST: Heterophily-aware Distribution Consistency based Graph Self-training

Graph self-training (GST), which selects and assigns pseudo-labels to unlabeled nodes, is popular for tackling label sparsity in graphs. However, recent study on homophily graphs show that GST methods could introduce and amplify distribution shift between training and test nodes as they tend to assign pseudo-labels to nodes they are good at. As GNNs typically perform better on homophilic nodes, there could be potential shifts towards homophilic pseudo-nodes, which is underexplored. Our preliminary experiments on heterophilic graphs verify that these methods can cause shifts in homophily ratio distributions, leading to \textit{training bias} that improves performance on homophilic nodes while degrading it on heterophilic ones. Therefore, we study a novel problem of reducing homophily ratio distribution shifts during self-training on heterophilic graphs. A key challenge is the accurate calculation of homophily ratios and their distributions without extensive labeled data. To tackle them, we propose a novel Heterophily-aware Distribution Consistency-based Graph Self-Training (HC-GST) framework, which estimates homophily ratios using soft labels and optimizes a selection vector to align pseudo-nodes with the global homophily ratio distribution. Extensive experiments on both homophilic and heterophilic graphs show that HC-GST effectively reduces training bias and enhances self-training performance.

Enhancing Data-Limited Graph Neural Networks by Actively Distilling Knowledge from Large Language Models

Graphs have emerged as critical data structures for content analysis in various domains, such as social network analysis, bioinformatics, and recommendation systems. Node classification, a fundamental task in this context, is typically tackled using graph neural networks (GNNs). Unfortunately, conventional GNNs still face challenges in scenarios with few labeled nodes, despite the prevalence of few-shot node classification tasks in real-world applications. To address this challenge, various approaches have been proposed, including graph meta-learning, transfer learning, and methods based on Large Language Models (LLMs). However, traditional meta-learning and transfer learning methods often require prior knowledge from base classes or fail to exploit the potential advantages of unlabeled nodes. Meanwhile, LLM-based methods may overlook the zero-shot capabilities of LLMs and rely heavily on the quality of generated contexts. In this paper, we propose a novel approach that integrates LLMs and GNNs, leveraging the zero-shot inference and reasoning capabilities of LLMs and employing a Graph-LLM-based active learning paradigm to enhance GNNs' performance. Extensive experiments demonstrate the effectiveness of our model in improving node classification accuracy with considerably limited labeled data, surpassing state-of-the-art baselines by significant margins.

Analyzing and Reducing Catastrophic Forgetting in Parameter Efficient Tuning

Existing research has shown that large language models (LLMs) exhibit remarkable performance in language understanding and generation. However, when LLMs are continuously fine-tuned on complex and diverse domain-specific downstream tasks, the inference performance on historical tasks decreases dramatically, which is known as a catastrophic forgetting problem. A trade-off needs to be kept between learning plasticity and memory stability. Plenty of existing works have explored strategies like memory replay, regularization and parameter isolation, but little is known about the geometric connection of various adjacent minima in the continual LLMs fine-tuning scenarios. In this work, we investigate the geometric connections of different minima through the lens of mode connectivity, which means different minima can be connected by a low-loss valley. Through extensive experiments, we uncover the mode connectivity phenomenon in the LLMs continual learning scenario and find that it can strike a balance between plasticity and stability. Building upon these findings, we propose a simple yet effective method called Interpolation-based LoRA (I-LoRA), which constructs a dual-memory experience replay framework based on LoRA parameter interpolations. Extensive experiments and analysis on eight domain-specific CL benchmarks demonstrate that I-LoRA consistently show significant improvement over the previous state-of-the-art approaches with up to $11\%$ performance gains, providing a strong baseline and insights for future research on the large language model continual learning problem. Our code is available at \url{https://github.com/which47/LLMCL}.

Disambiguated Node Classification with Graph Neural Networks

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data across various domains. Despite their great successful, one critical challenge is often overlooked by existing works, i.e., the learning of message propagation that can generalize effectively to underrepresented graph regions. These minority regions often exhibit irregular homophily/heterophily patterns and diverse neighborhood class distributions, resulting in ambiguity. In this work, we investigate the ambiguity problem within GNNs, its impact on representation learning, and the development of richer supervision signals to fight against this problem. We conduct a fine-grained evaluation of GNN, analyzing the existence of ambiguity in different graph regions and its relation with node positions. To disambiguate node embeddings, we propose a novel method, {\method}, which exploits additional optimization guidance to enhance representation learning, particularly for nodes in ambiguous regions. {\method} identifies ambiguous nodes based on temporal inconsistency of predictions and introduces a disambiguation regularization by employing contrastive learning in a topology-aware manner. {\method} promotes discriminativity of node representations and can alleviating semantic mixing caused by message propagation, effectively addressing the ambiguity problem. Empirical results validate the efficiency of {\method} and highlight its potential to improve GNN performance in underrepresented graph regions.

Distribution Consistency based Self-Training for Graph Neural Networks with Sparse Labels

Few-shot node classification poses a significant challenge for Graph Neural Networks (GNNs) due to insufficient supervision and potential distribution shifts between labeled and unlabeled nodes. Self-training has emerged as a widely popular framework to leverage the abundance of unlabeled data, which expands the training set by assigning pseudo-labels to selected unlabeled nodes. Efforts have been made to develop various selection strategies based on confidence, information gain, etc. However, none of these methods takes into account the distribution shift between the training and testing node sets. The pseudo-labeling step may amplify this shift and even introduce new ones, hindering the effectiveness of self-training. Therefore, in this work, we explore the potential of explicitly bridging the distribution shift between the expanded training set and test set during self-training. To this end, we propose a novel Distribution-Consistent Graph Self-Training (DC-GST) framework to identify pseudo-labeled nodes that are both informative and capable of redeeming the distribution discrepancy and formulate it as a differentiable optimization task. A distribution-shift-aware edge predictor is further adopted to augment the graph and increase the model's generalizability in assigning pseudo labels. We evaluate our proposed method on four publicly available benchmark datasets and extensive experiments demonstrate that our framework consistently outperforms state-of-the-art baselines.

T-SaS: Toward Shift-aware Dynamic Adaptation for Streaming Data

In many real-world scenarios, distribution shifts exist in the streaming data across time steps. Many complex sequential data can be effectively divided into distinct regimes that exhibit persistent dynamics. Discovering the shifted behaviors and the evolving patterns underlying the streaming data are important to understand the dynamic system. Existing methods typically train one robust model to work for the evolving data of distinct distributions or sequentially adapt the model utilizing explicitly given regime boundaries. However, there are two challenges: (1) shifts in data streams could happen drastically and abruptly without precursors. Boundaries of distribution shifts are usually unavailable, and (2) training a shared model for all domains could fail to capture varying patterns. This paper aims to solve the problem of sequential data modeling in the presence of sudden distribution shifts that occur without any precursors. Specifically, we design a Bayesian framework, dubbed as T-SaS, with a discrete distribution-modeling variable to capture abrupt shifts of data. Then, we design a model that enable adaptation with dynamic network selection conditioned on that discrete variable. The proposed method learns specific model parameters for each distribution by learning which neurons should be activated in the full network. A dynamic masking strategy is adopted here to support inter-distribution transfer through the overlapping of a set of sparse networks. Extensive experiments show that our proposed method is superior in both accurately detecting shift boundaries to get segments of varying distributions and effectively adapting to downstream forecast or classification tasks.

Skill Disentanglement for Imitation Learning from Suboptimal Demonstrations

Imitation learning has achieved great success in many sequential decision-making tasks, in which a neural agent is learned by imitating collected human demonstrations. However, existing algorithms typically require a large number of high-quality demonstrations that are difficult and expensive to collect. Usually, a trade-off needs to be made between demonstration quality and quantity in practice. Targeting this problem, in this work we consider the imitation of sub-optimal demonstrations, with both a small clean demonstration set and a large noisy set. Some pioneering works have been proposed, but they suffer from many limitations, e.g., assuming a demonstration to be of the same optimality throughout time steps and failing to provide any interpretation w.r.t knowledge learned from the noisy set. Addressing these problems, we propose {\method} by evaluating and imitating at the sub-demonstration level, encoding action primitives of varying quality into different skills. Concretely, {\method} consists of a high-level controller to discover skills and a skill-conditioned module to capture action-taking policies, and is trained following a two-phase pipeline by first discovering skills with all demonstrations and then adapting the controller to only the clean set. A mutual-information-based regularization and a dynamic sub-demonstration optimality estimator are designed to promote disentanglement in the skill space. Extensive experiments are conducted over two gym environments and a real-world healthcare dataset to demonstrate the superiority of {\method} in learning from sub-optimal demonstrations and its improved interpretability by examining learned skills.

Faithful and Consistent Graph Neural Network Explanations with Rationale Alignment

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN relies upon for making predictions. %These identified sub-structures can provide interpretations of GNN's behavior. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and failing to provide consistent explanations. Applying them to explain weakly-performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons for spurious explanations are identified: confounding effect of latent variables like distribution shift, and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations, \tianxiang{we propose a new explanation framework with an auxiliary alignment loss, which is theoretically proven to be optimizing a more faithful explanation objective intrinsically. Concretely for this alignment loss, a set of different perspectives are explored: anchor-based alignment, distributional alignment based on Gaussian mixture models, mutual-information-based alignment, etc. A comprehensive study is conducted both on the effectiveness of this new framework in terms of explanation faithfulness/consistency and on the advantages of these variants.

TopoImb: Toward Topology-level Imbalance in Learning from Graphs

Graph serves as a powerful tool for modeling data that has an underlying structure in non-Euclidean space, by encoding relations as edges and entities as nodes. Despite developments in learning from graph-structured data over the years, one obstacle persists: graph imbalance. Although several attempts have been made to target this problem, they are limited to considering only class-level imbalance. In this work, we argue that for graphs, the imbalance is likely to exist at the sub-class topology group level. Due to the flexibility of topology structures, graphs could be highly diverse, and learning a generalizable classification boundary would be difficult. Therefore, several majority topology groups may dominate the learning process, rendering others under-represented. To address this problem, we propose a new framework {\method} and design (1 a topology extractor, which automatically identifies the topology group for each instance with explicit memory cells, (2 a training modulator, which modulates the learning process of the target GNN model to prevent the case of topology-group-wise under-representation. {\method} can be used as a key component in GNN models to improve their performances under the data imbalance setting. Analyses on both topology-level imbalance and the proposed {\method} are provided theoretically, and we empirically verify its effectiveness with both node-level and graph-level classification as the target tasks.