Neil Shah

Juanhui Li, Harry Shomer, Haitao Mao et al.

Link prediction attempts to predict whether an unseen edge exists based on only a portion of edges of a graph. A flurry of methods have been introduced in recent years that attempt to make use of graph neural networks (GNNs) for this task. Furthermore, new and diverse datasets have also been created to better evaluate the effectiveness of these new models. However, multiple pitfalls currently exist that hinder our ability to properly evaluate these new methods. These pitfalls mainly include: (1) Lower than actual performance on multiple baselines, (2) A lack of a unified data split and evaluation metric on some datasets, and (3) An unrealistic evaluation setting that uses easy negative samples. To overcome these challenges, we first conduct a fair comparison across prominent methods and datasets, utilizing the same dataset and hyperparameter search settings. We then create a more practical evaluation setting based on a Heuristic Related Sampling Technique (HeaRT), which samples hard negative samples via multiple heuristics. The new evaluation setting helps promote new challenges and opportunities in link prediction by aligning the evaluation with real-world situations. Our implementation and data are available at https://github.com/Juanhui28/HeaRT

Wei Jin, Tong Zhao, Jiayuan Ding et al.

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by issues related to data quality, such as distribution shift, abnormal features and adversarial attacks. Recent efforts have been made on tackling these issues from a modeling perspective which requires additional cost of changing model architectures or re-training model parameters. In this work, we provide a data-centric view to tackle these issues and propose a graph transformation framework named GTrans which adapts and refines graph data at test time to achieve better performance. We provide theoretical analysis on the design of the framework and discuss why adapting graph data works better than adapting the model. Extensive experiments have demonstrated the effectiveness of GTrans on three distinct scenarios for eight benchmark datasets where suboptimal data is presented. Remarkably, GTrans performs the best in most cases with improvements up to 2.8%, 8.2% and 3.8% over the best baselines on three experimental settings. Code is released at https://github.com/ChandlerBang/GTrans.

Juanhui Li, Harry Shomer, Jiayuan Ding et al.

Knowledge graphs (KGs) facilitate a wide variety of applications. Despite great efforts in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG research. Recently, considerable literature in this space has centered around the use of Message Passing (Graph) Neural Networks (MPNNs), to learn powerful embeddings. The success of these methods is naturally attributed to the use of MPNNs over simpler multi-layer perceptron (MLP) models, given their additional message passing (MP) component. In this work, we find that surprisingly, simple MLP models are able to achieve comparable performance to MPNNs, suggesting that MP may not be as crucial as previously believed. With further exploration, we show careful scoring function and loss function design has a much stronger influence on KGC model performance. This suggests a conflation of scoring function design, loss function design, and MP in prior work, with promising insights regarding the scalability of state-of-the-art KGC methods today, as well as careful attention to more suitable MP designs for KGC tasks tomorrow. Our codes are publicly available at: https://github.com/Juanhui28/Are_MPNNs_helpful.

Lingxiao Zhao, Louis Härtel, Neil Shah et al.

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman (1-WL) test in distinguishing graphs in a graph isomorphism testing frame-work. To this end, researchers have drawn inspiration from the k-WL hierarchy to develop more expressive GNNs. However, current k-WL-equivalent GNNs are not practical for even small values of k, as k-WL becomes combinatorially more complex as k grows. At the same time, several works have found great empirical success in graph learning tasks without highly expressive models, implying that chasing expressiveness with a coarse-grained ruler of expressivity like k-WL is often unneeded in practical tasks. To truly understand the expressiveness-complexity tradeoff, one desires a more fine-grained ruler, which can more gradually increase expressiveness. Our work puts forth such a proposal: Namely, we first propose the (k, c)(<=)-SETWL hierarchy with greatly reduced complexity from k-WL, achieved by moving from k-tuples of nodes to sets with <=k nodes defined over <=c connected components in the induced original graph. We show favorable theoretical results for this model in relation to k-WL, and concretize it via (k, c)(<=)-SETGNN, which is as expressive as (k, c)(<=)-SETWL. Our model is practical and progressively-expressive, increasing in power with k and c. We demonstrate effectiveness on several benchmark datasets, achieving several state-of-the-art results with runtime and memory usage applicable to practical graphs. We open source our implementation at https://github.com/LingxiaoShawn/KCSetGNN.

Mingxuan Ju, Tong Zhao, Qianlong Wen et al.

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.

Xiaotian Han, Tong Zhao, Yozen Liu et al.

Training graph neural networks (GNNs) on large graphs is complex and extremely time consuming. This is attributed to overheads caused by sparse matrix multiplication, which are sidestepped when training multi-layer perceptrons (MLPs) with only node features. MLPs, by ignoring graph context, are simple and faster for graph data, however they usually sacrifice prediction accuracy, limiting their applications for graph data. We observe that for most message passing-based GNNs, we can trivially derive an analog MLP (we call this a PeerMLP) with an equivalent weight space, by setting the trainable parameters with the same shapes, making us curious about \textbf{\emph{how do GNNs using weights from a fully trained PeerMLP perform?}} Surprisingly, we find that GNNs initialized with such weights significantly outperform their PeerMLPs, motivating us to use PeerMLP training as a precursor, initialization step to GNN training. To this end, we propose an embarrassingly simple, yet hugely effective initialization method for GNN training acceleration, called MLPInit. Our extensive experiments on multiple large-scale graph datasets with diverse GNN architectures validate that MLPInit can accelerate the training of GNNs (up to 33X speedup on OGB-Products) and often improve prediction performance (e.g., up to $7.97\%$ improvement for GraphSAGE across $7$ datasets for node classification, and up to $17.81\%$ improvement across $4$ datasets for link prediction on metric Hits@10). The code is available at \href{https://github.com/snap-research/MLPInit-for-GNNs}.

Sukrati Gautam, Neil Shah, Arav Dhoot et al.

Consistency training encourages models to behave similarly across different contexts, and has shown promise for reducing misalignment. We broaden the scope of consistency training in two ways. First, we introduce two new internal consistency targets: MLP Consistency Training (MLPCT), which matches post-activation MLP states, and Attention Consistency Training (AttCT), which matches per-head attention distributions. Second, we apply consistency training to four additional safety threats: persona in-context learning attacks, adversarial frustration, prefill attacks, and conditional misalignment. Across several models and threat settings, we find that consistency training reduces misalignment well beyond the sycophancy and jailbreak settings studied in prior work. We also find cases of cross-threat generalization, where training against one failure mode improves robustness to another, and identify a shared residual-stream mechanism underlying ACT, MLPCT, and AttCT, while distinguishing BCT as mechanistically distinct. Our results suggest that consistency training is a flexible and extensible framework for alignment, capable of unifying defenses against a broader class of model pathologies.

Haitao Mao, Zhikai Chen, Wei Jin et al.

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world homophilic and heterophilic graphs are comprised of a mixture of nodes in both homophilic and heterophilic structural patterns, exhibiting a structural disparity. However, the analysis of GNN performance with respect to nodes exhibiting different structural patterns, e.g., homophilic nodes in heterophilic graphs, remains rather limited. In the present study, we provide evidence that Graph Neural Networks(GNNs) on node classification typically perform admirably on homophilic nodes within homophilic graphs and heterophilic nodes within heterophilic graphs while struggling on the opposite node set, exhibiting a performance disparity. We theoretically and empirically identify effects of GNNs on testing nodes exhibiting distinct structural patterns. We then propose a rigorous, non-i.i.d PAC-Bayesian generalization bound for GNNs, revealing reasons for the performance disparity, namely the aggregated feature distance and homophily ratio difference between training and testing nodes. Furthermore, we demonstrate the practical implications of our new findings via (1) elucidating the effectiveness of deeper GNNs; and (2) revealing an over-looked distribution shift factor on graph out-of-distribution problem and proposing a new scenario accordingly.

Zhichun Guo, William Shiao, Shichang Zhang et al.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Mingxuan Ju, Tong Zhao, Wenhao Yu et al.

Recent studies have shown that graph neural networks (GNNs) exhibit strong biases towards the node degree: they usually perform satisfactorily on high-degree nodes with rich neighbor information but struggle with low-degree nodes. Existing works tackle this problem by deriving either designated GNN architectures or training strategies specifically for low-degree nodes. Though effective, these approaches unintentionally create an artificial out-of-distribution scenario, where models mainly or even only observe low-degree nodes during the training, leading to a downgraded performance for high-degree nodes that GNNs originally perform well at. In light of this, we propose a test-time augmentation framework, namely GraphPatcher, to enhance test-time generalization of any GNNs on low-degree nodes. Specifically, GraphPatcher iteratively generates virtual nodes to patch artificially created low-degree nodes via corruptions, aiming at progressively reconstructing target GNN's predictions over a sequence of increasingly corrupted nodes. Through this scheme, GraphPatcher not only learns how to enhance low-degree nodes (when the neighborhoods are heavily corrupted) but also preserves the original superior performance of GNNs on high-degree nodes (when lightly corrupted). Additionally, GraphPatcher is model-agnostic and can also mitigate the degree bias for either self-supervised or supervised GNNs. Comprehensive experiments are conducted over seven benchmark datasets and GraphPatcher consistently enhances common GNNs' overall performance by up to 3.6% and low-degree performance by up to 6.5%, significantly outperforming state-of-the-art baselines. The source code is publicly available at https://github.com/jumxglhf/GraphPatcher.

Clark Mingxuan Ju, Yuwei Qiu, Tong Zhao et al.

Personalizing large language models (LLMs) has become a central challenge as LLMs are deployed across recommendation, search, dialogue, and content generation -- settings where the same query should yield different answers given different users. A promising route is to summarize each user's interaction history into a natural-language memory or profile and prepend it to the prompt to facilitate personalization. Existing methods learn such profile generators with explicit rewards derived from labeled downstream tasks, which are expensive and sparse as they require annotated supervision for every target task. In light of this challenge, we introduce Bidirectional User Modeling via Profiles (BUMP), a self-supervised framework that trains a profile generator without any downstream labels. Specifically, given a user's interaction history, we use GRPO to train an LLM to emit a free-form textual profile under a bidirectional in-batch ranking objective: a small LLM judge measures (i) how well the generated profile, used as a query, ranks the user's own held-out interactions above interactions from other users in the batch, and (ii) how well a held-out interaction, used as a query, ranks the user's own profile above profiles of other users. Both directions are scored with multi-positive NDCG and combined into a dense reward per rollout; other users in the batch supply free negatives, so every training example yields supervision from raw interaction logs alone. Evaluated on the LaMP benchmark, BUMP matches or outperforms closed-source APIs and prior methods relying on labeled rewards, while requiring no task label at training.

Yu Wang, Tong Zhao, Yuying Zhao et al.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

Rishav Chourasia, Neil Shah

Unlearning algorithms aim to remove deleted data's influence from trained models at a cost lower than full retraining. However, prior guarantees of unlearning in literature are flawed and don't protect the privacy of deleted records. We show that when users delete their data as a function of published models, records in a database become interdependent. So, even retraining a fresh model after deletion of a record doesn't ensure its privacy. Secondly, unlearning algorithms that cache partial computations to speed up the processing can leak deleted information over a series of releases, violating the privacy of deleted records in the long run. To address these, we propose a sound deletion guarantee and show that the privacy of existing records is necessary for the privacy of deleted records. Under this notion, we propose an accurate, computationally efficient, and secure machine unlearning algorithm based on noisy gradient descent.

William Shiao, Zhichun Guo, Tong Zhao et al.

A recent focal area in the space of graph neural networks (GNNs) is graph self-supervised learning (SSL), which aims to derive useful node representations without labeled data. Notably, many state-of-the-art graph SSL methods are contrastive methods, which use a combination of positive and negative samples to learn node representations. Owing to challenges in negative sampling (slowness and model sensitivity), recent literature introduced non-contrastive methods, which instead only use positive samples. Though such methods have shown promising performance in node-level tasks, their suitability for link prediction tasks, which are concerned with predicting link existence between pairs of nodes (and have broad applicability to recommendation systems contexts) is yet unexplored. In this work, we extensively evaluate the performance of existing non-contrastive methods for link prediction in both transductive and inductive settings. While most existing non-contrastive methods perform poorly overall, we find that, surprisingly, BGRL generally performs well in transductive settings. However, it performs poorly in the more realistic inductive settings where the model has to generalize to links to/from unseen nodes. We find that non-contrastive models tend to overfit to the training graph and use this analysis to propose T-BGRL, a novel non-contrastive framework that incorporates cheap corruptions to improve the generalization ability of the model. This simple modification strongly improves inductive performance in 5/6 of our datasets, with up to a 120% improvement in Hits@50--all with comparable speed to other non-contrastive baselines and up to 14x faster than the best-performing contrastive baseline. Our work imparts interesting findings about non-contrastive learning for link prediction and paves the way for future researchers to further expand upon this area.

Purab Seth, Neil Shah, Kunal Jha et al.

Continual reinforcement learning aims to produce agents that learn not only to improve at their current tasks but also to adapt as task distributions change. Training an agent on many diverse tasks can induce zero-shot generalization, but previous work generally evaluates this generalization after training -- with frozen weights. Whether task diversity also improves an agent's ability to continue learning across distribution shifts remains unclear. We introduce Banyan, a GPU-accelerated continual RL domain in which task diversity factors into three independently controllable axes: the map layouts an agent must navigate, the objects it must interact with, and the hierarchical structures of sub-goal dependencies. Across individual distribution shifts, increasing diversity along each axis causes agents to begin training on the new tasks near the performance attained on the previous one, even when the shift changes the structure of the optimal policy. However, as the number of shifts increases, this local transfer does not by itself yield sustained continual learning: longer-horizon tasks plateau, and earlier task distributions are forgotten after later training. Banyan is a benchmark for studying when controlled task diversity produces transferable learning, when that transfer persists, and where it falls short of proper continual learning.

Weixin Chen, Yuhan Zhao, Jingyuan Huang et al.

The evolution of recommender systems has shifted preference storage from rating matrices and dense embeddings to semantic memory in the agentic era. Yet existing agents rely on isolated memory, overlooking crucial collaborative signals. Bridging this gap is hindered by the dual challenges of distilling vast graph contexts without overwhelming reasoning agents with cognitive load, and evolving the collaborative memory efficiently without incurring prohibitive computational costs. To address this, we propose MemRec, a framework that architecturally decouples reasoning from memory management to enable efficient collaborative augmentation. MemRec introduces a dedicated, cost-effective LM_Mem to manage a dynamic collaborative memory graph, serving synthesized, high-signal context to a downstream LLM_Rec. The framework operates via a practical pipeline featuring efficient retrieval and cost-effective asynchronous graph propagation that evolves memory in the background. Extensive experiments on four benchmarks demonstrate that MemRec achieves state-of-the-art performance. Furthermore, architectural analysis confirms its flexibility, establishing a new Pareto frontier that balances reasoning quality, cost, and privacy through support for diverse deployments, including local open-source models. Code:https://github.com/rutgerswiselab/memrec and Homepage: https://memrec.weixinchen.com

William Shiao, Uday Singh Saini, Yozen Liu et al.

Self-supervised learning on graphs has made large strides in achieving great performance in various downstream tasks. However, many state-of-the-art methods suffer from a number of impediments, which prevent them from realizing their full potential. For instance, contrastive methods typically require negative sampling, which is often computationally costly. While non-contrastive methods avoid this expensive step, most existing methods either rely on overly complex architectures or dataset-specific augmentations. In this paper, we ask: Can we borrow from classical unsupervised machine learning literature in order to overcome those obstacles? Guided by our key insight that the goal of distance-based clustering closely resembles that of contrastive learning: both attempt to pull representations of similar items together and dissimilar items apart. As a result, we propose CARL-G - a novel clustering-based framework for graph representation learning that uses a loss inspired by Cluster Validation Indices (CVIs), i.e., internal measures of cluster quality (no ground truth required). CARL-G is adaptable to different clustering methods and CVIs, and we show that with the right choice of clustering method and CVI, CARL-G outperforms node classification baselines on 4/5 datasets with up to a 79x training speedup compared to the best-performing baseline. CARL-G also performs at par or better than baselines in node clustering and similarity search tasks, training up to 1,500x faster than the best-performing baseline. Finally, we also provide theoretical foundations for the use of CVI-inspired losses in graph representation learning.

Yiwei Wang, Bryan Hooi, Yozen Liu et al.

Link prediction (LP) has been recognized as an important task in graph learning with its broad practical applications. A typical application of LP is to retrieve the top scoring neighbors for a given source node, such as the friend recommendation. These services desire the high inference scalability to find the top scoring neighbors from many candidate nodes at low latencies. There are two popular decoders that the recent LP models mainly use to compute the edge scores from node embeddings: the HadamardMLP and Dot Product decoders. After theoretical and empirical analysis, we find that the HadamardMLP decoders are generally more effective for LP. However, HadamardMLP lacks the scalability for retrieving top scoring neighbors on large graphs, since to the best of our knowledge, there does not exist an algorithm to retrieve the top scoring neighbors for HadamardMLP decoders in sublinear complexity. To make HadamardMLP scalable, we propose the Flashlight algorithm to accelerate the top scoring neighbor retrievals for HadamardMLP: a sublinear algorithm that progressively applies approximate maximum inner product search (MIPS) techniques with adaptively adjusted query embeddings. Empirical results show that Flashlight improves the inference speed of LP by more than 100 times on the large OGBL-CITATION2 dataset without sacrificing effectiveness. Our work paves the way for large-scale LP applications with the effective HadamardMLP decoders by greatly accelerating their inference.

Haitao Mao, Juanhui Li, Harry Shomer et al.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Runjin Chen, Tong Zhao, Ajay Jaiswal et al.

Graph Neural Networks (GNNs) have empowered the advance in graph-structured data analysis. Recently, the rise of Large Language Models (LLMs) like GPT-4 has heralded a new era in deep learning. However, their application to graph data poses distinct challenges due to the inherent difficulty of translating graph structures to language. To this end, we introduce the Large Language and Graph Assistant (LLaGA), an innovative model that effectively integrates LLM capabilities to handle the complexities of graph-structured data. LLaGA retains the general-purpose nature of LLMs while adapting graph data into a format compatible with LLM input. LLaGA achieves this by reorganizing graph nodes to structure-aware sequences and then mapping these into the token embedding space through a versatile projector. LLaGA excels in versatility, generalizability and interpretability, allowing it to perform consistently well across different datasets and tasks, extend its ability to unseen datasets or tasks, and provide explanations for graphs. Our extensive experiments across popular graph benchmarks show that LLaGA delivers outstanding performance across four datasets and three tasks using one single model, surpassing state-of-the-art graph models in both supervised and zero-shot scenarios. Our code is available at \url{https://github.com/VITA-Group/LLaGA}.

Haoyu Han, Yu Wang, Harry Shomer et al.

Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected by edges" nature, encodes massive heterogeneous and relational information, making it a golden resource for RAG in tremendous real-world applications. As a result, we have recently witnessed increasing attention on equipping RAG with Graph, i.e., GraphRAG. However, unlike conventional RAG, where the retriever, generator, and external data sources can be uniformly designed in the neural-embedding space, the uniqueness of graph-structured data, such as diverse-formatted and domain-specific relational knowledge, poses unique and significant challenges when designing GraphRAG for different domains. Given the broad applicability, the associated design challenges, and the recent surge in GraphRAG, a systematic and up-to-date survey of its key concepts and techniques is urgently desired. Following this motivation, we present a comprehensive and up-to-date survey on GraphRAG. Our survey first proposes a holistic GraphRAG framework by defining its key components, including query processor, retriever, organizer, generator, and data source. Furthermore, recognizing that graphs in different domains exhibit distinct relational patterns and require dedicated designs, we review GraphRAG techniques uniquely tailored to each domain. Finally, we discuss research challenges and brainstorm directions to inspire cross-disciplinary opportunities. Our survey repository is publicly maintained at https://github.com/Graph-RAG/GraphRAG/.

Neha Sahipjohn, Neil Shah, Vishal Tambrahalli et al.

Significant progress has been made in speaker dependent Lip-to-Speech synthesis, which aims to generate speech from silent videos of talking faces. Current state-of-the-art approaches primarily employ non-autoregressive sequence-to-sequence architectures to directly predict mel-spectrograms or audio waveforms from lip representations. We hypothesize that the direct mel-prediction hampers training/model efficiency due to the entanglement of speech content with ambient information and speaker characteristics. To this end, we propose RobustL2S, a modularized framework for Lip-to-Speech synthesis. First, a non-autoregressive sequence-to-sequence model maps self-supervised visual features to a representation of disentangled speech content. A vocoder then converts the speech features into raw waveforms. Extensive evaluations confirm the effectiveness of our setup, achieving state-of-the-art performance on the unconstrained Lip2Wav dataset and the constrained GRID and TCD-TIMIT datasets. Speech samples from RobustL2S can be found at https://neha-sherin.github.io/RobustL2S/

Matthew Kolodner, Mingxuan Ju, Zihao Fan et al.

Improving recommendation systems (RS) can greatly enhance the user experience across many domains, such as social media. Many RS utilize embedding-based retrieval (EBR) approaches to retrieve candidates for recommendation. In an EBR system, the embedding quality is key. According to recent literature, self-supervised multitask learning (SSMTL) has showed strong performance on academic benchmarks in embedding learning and resulted in an overall improvement in multiple downstream tasks, demonstrating a larger resilience to the adverse conditions between each downstream task and thereby increased robustness and task generalization ability through the training objective. However, whether or not the success of SSMTL in academia as a robust training objectives translates to large-scale (i.e., over hundreds of million users and interactions in-between) industrial RS still requires verification. Simply adopting academic setups in industrial RS might entail two issues. Firstly, many self-supervised objectives require data augmentations (e.g., embedding masking/corruption) over a large portion of users and items, which is prohibitively expensive in industrial RS. Furthermore, some self-supervised objectives might not align with the recommendation task, which might lead to redundant computational overheads or negative transfer. In light of these two challenges, we evaluate using a robust training objective, specifically SSMTL, through a large-scale friend recommendation system on a social media platform in the tech sector, identifying whether this increase in robustness can work at scale in enhancing retrieval in the production setting. Through online A/B testing with SSMTL-based EBR, we observe statistically significant increases in key metrics in the friend recommendations, with up to 5.45% improvements in new friends made and 1.91% improvements in new friends made with cold-start users.

Yupeng Hou, Haven Kim, Clark Mingxuan Ju et al.

Generative recommendation (GR) models generate items by autoregressively producing a sequence of discrete tokens that jointly index the target item. However, this autoregressive generation process also induces a structured decoding space whose impact on model expressiveness remains underexplored. Specifically, token-by-token generation can be viewed as traversing a decoding tree induced by semantic ID tokens, where leaf nodes correspond to candidate items. We observe that the item probabilities produced by GR models are strongly correlated with this tree structure: items that are close in the tree tend to receive similar probabilities for any given user, making it difficult to distinguish among them based on user-specific preferences. We further show theoretically that such structural correlations prevent GR models from representing even simple patterns that can be well captured by conventional collaborative filtering models. To mitigate this issue, we propose Latte, a simple modification that injects a latent token before each semantic ID, reshaping the decoding space from a single tree into multiple latent-token-conditioned trees. This design creates multiple paths with varying tree distances between items, relaxing tree-induced probability coupling and yielding an average of 3.45% relative improvement on NDCG@10. Our code is available at https://github.com/hyp1231/Latte.

Xingyue Huang, Xueying Ding, Mingxuan Ju et al.

Softmax attention struggles with long contexts due to structural limitations: the strict sum-to-one constraint forces attention sinks on irrelevant tokens, and probability mass disperses as sequence lengths increase. We tackle these problems with Threshold Differential Attention (TDA), a sink-free attention mechanism that achieves ultra-sparsity and improved robustness at longer sequence lengths without the computational overhead of projection methods or the performance degradation caused by noise accumulation of standard rectified attention. TDA applies row-wise extreme-value thresholding with a length-dependent gate, retaining only exceedances. Inspired by the differential transformer, TDA also subtracts an inhibitory view to enhance expressivity. Theoretically, we prove that TDA controls the expected number of spurious survivors per row to $O(1)$ and that consensus spurious matches across independent views vanish as context grows. Empirically, TDA produces $>99\%$ exact zeros and eliminates attention sinks while maintaining competitive performance on standard and long-context benchmarks.

Neil Shah, Shirish Karande, Vineet Gandhi

We propose a novel approach to significantly improve the intelligibility in the Non-Audible Murmur (NAM)-to-speech conversion task, leveraging self-supervision and sequence-to-sequence (Seq2Seq) learning techniques. Unlike conventional methods that explicitly record ground-truth speech, our methodology relies on self-supervision and speech-to-speech synthesis to simulate ground-truth speech. Despite utilizing simulated speech, our method surpasses the current state-of-the-art (SOTA) by 29.08% improvement in the Mel-Cepstral Distortion (MCD) metric. Additionally, we present error rates and demonstrate our model's proficiency to synthesize speech in novel voices of interest. Moreover, we present a methodology for augmenting the existing CSTR NAM TIMIT Plus corpus, setting a benchmark with a Word Error Rate (WER) of 42.57% to gauge the intelligibility of the synthesized speech. Speech samples can be found at https://nam2speech.github.io/NAM2Speech/

Hansi Zeng, Liam Collins, Bhuvesh Kumar et al.

Agentic search -- the task of training agents that iteratively reason, issue queries, and synthesize retrieved information to answer complex questions -- has achieved remarkable progress through reinforcement learning (RL). However, existing approaches such as Search-R1, treat the retrieval system as a fixed tool, optimizing only the reasoning agent while the retrieval component remains unchanged. A preliminary experiment reveals that the gap between an oracle and a fixed retrieval system reaches up to +26.8% relative F1 improvement across seven QA benchmarks, suggesting that the retrieval system is a key bottleneck in scaling agentic search performance. Motivated by this finding, we propose CoSearch, a framework that jointly trains a multi-step reasoning agent and a generative document ranking model via Group Relative Policy Optimization (GRPO). To enable effective GRPO training for the ranker -- whose inputs vary across reasoning trajectories -- we introduce a semantic grouping strategy that clusters sub-queries by token-level similarity, forming valid optimization groups without additional rollouts. We further design a composite reward combining ranking quality signals with trajectory-level outcome feedback, providing the ranker with both immediate and long-term learning signals. Experiments on seven single-hop and multi-hop QA benchmarks demonstrate consistent improvements over strong baselines, with ablation studies validating each design choice. Our results show that joint training of the reasoning agent and retrieval system is both feasible and strongly performant, pointing to a key ingredient for future search agents.

Neil Shah, Saiteja Kosgi, Vishal Tambrahalli et al.

We present ParrotTTS, a modularized text-to-speech synthesis model leveraging disentangled self-supervised speech representations. It can train a multi-speaker variant effectively using transcripts from a single speaker. ParrotTTS adapts to a new language in low resource setup and generalizes to languages not seen while training the self-supervised backbone. Moreover, without training on bilingual or parallel examples, ParrotTTS can transfer voices across languages while preserving the speaker specific characteristics, e.g., synthesizing fluent Hindi speech using a French speaker's voice and accent. We present extensive results in monolingual and multi-lingual scenarios. ParrotTTS outperforms state-of-the-art multi-lingual TTS models using only a fraction of paired data as latter.

Clark Mingxuan Ju, Leonardo Neves, Bhuvesh Kumar et al.

Sequential recommendation is a popular paradigm in modern recommender systems. In particular, one challenging problem in this space is cross-domain sequential recommendation (CDSR), which aims to predict future behaviors given user interactions across multiple domains. Existing CDSR frameworks are mostly built on the self-attention transformer and seek to improve by explicitly injecting additional domain-specific components (e.g. domain-aware module blocks). While these additional components help, we argue they overlook the core self-attention module already present in the transformer, a naturally powerful tool to learn correlations among behaviors. In this work, we aim to improve the CDSR performance for simple models from a novel perspective of enhancing the self-attention. Specifically, we introduce a Pareto-optimal self-attention and formulate the cross-domain learning as a multi-objective problem, where we optimize the recommendation task while dynamically minimizing the cross-domain attention scores. Our approach automates knowledge transfer in CDSR (dubbed as AutoCDSR) -- it not only mitigates negative transfer but also encourages complementary knowledge exchange among auxiliary domains. Based on the idea, we further introduce AutoCDSR+, a more performant variant with slight additional cost. Our proposal is easy to implement and works as a plug-and-play module that can be incorporated into existing transformer-based recommenders. Besides flexibility, it is practical to deploy because it brings little extra computational overheads without heavy hyper-parameter tuning. AutoCDSR on average improves Recall@10 for SASRec and Bert4Rec by 9.8% and 16.0% and NDCG@10 by 12.0% and 16.7%, respectively. Code is available at https://github.com/snap-research/AutoCDSR.

Tong Zhao, Yozen Liu, Matthew Kolodner et al.

Recent advances in graph machine learning (ML) with the introduction of Graph Neural Networks (GNNs) have led to a widespread interest in applying these approaches to business applications at scale. GNNs enable differentiable end-to-end (E2E) learning of model parameters given graph structure which enables optimization towards popular node, edge (link) and graph-level tasks. While the research innovation in new GNN layers and training strategies has been rapid, industrial adoption and utility of GNNs has lagged considerably due to the unique scale challenges that large-scale graph ML problems create. In this work, we share our approach to training, inference, and utilization of GNNs at Snapchat. To this end, we present GiGL (Gigantic Graph Learning), an open-source library to enable large-scale distributed graph ML to the benefit of researchers, ML engineers, and practitioners. We use GiGL internally at Snapchat to manage the heavy lifting of GNN workflows, including graph data preprocessing from relational DBs, subgraph sampling, distributed training, inference, and orchestration. GiGL is designed to interface cleanly with open-source GNN modeling libraries prominent in academia like PyTorch Geometric (PyG), while handling scaling and productionization challenges that make it easier for internal practitioners to focus on modeling. GiGL is used in multiple production settings, and has powered over 35 launches across multiple business domains in the last 2 years in the contexts of friend recommendation, content recommendation and advertising. This work details high-level design and tools the library provides, scaling properties, case studies in diverse business settings with industry-scale graphs, and several key lessons learned in employing graph ML at scale on large social data. GiGL is open-sourced at https://github.com/Snapchat/GiGL.

Quang Truong, Yu Song, Donald Loveland et al.

Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on explicit structural heuristics or memory-intensive node embeddings -- approaches that struggle to generalize or scale to massive graphs. Emerging Graph Transformers (GTs) offer a potential alternative but often incur significant overhead due to complex structural encodings, hindering their applications to large-scale link prediction. We challenge these sophisticated paradigms with PENCIL, an encoder-only plain Transformer that replaces hand-crafted priors with attention over sampled local subgraphs, retaining the scalability and hardware efficiency of standard Transformers. Through experimental and theoretical analysis, we show that PENCIL extracts richer structural signals than GNNs, implicitly generalizing a broad class of heuristics and subgraph-based expressivity. Empirically, PENCIL outperforms heuristic-informed GNNs and is far more parameter-efficient than ID-embedding--based alternatives, while remaining competitive across diverse benchmarks -- even without node features. Our results challenge the prevailing reliance on complex engineering techniques, demonstrating that simple design choices are potentially sufficient to achieve the same capabilities.

Qiyao Ma, Menglin Yang, Mingxuan Ju et al.

Modern recommender systems often create information cocoons, restricting users' exposure to diverse content. A key challenge lies in balancing content exploration and exploitation while allowing users to adjust their recommendation preferences. Intuitively, this balance can be modeled as a tree-structured representation, where depth search facilitates exploitation and breadth search enables exploration. However, existing approaches face two fundamental limitations: Euclidean methods struggle to capture hierarchical structures, while hyperbolic methods, despite their superior hierarchical modeling, lack semantic understanding of user and item profiles and fail to provide a principled mechanism for balancing exploration and exploitation. To address these challenges, we propose HERec, a hyperbolic graph-LLM framework that effectively balances exploration and exploitation in recommender systems. Our framework introduces two key innovations: (1) a semantic-enhanced hierarchical mechanism that aligns rich textual descriptions processed by large language models (LLMs) with collaborative information directly in hyperbolic space, allowing for more nuanced updates that respect the underlying hierarchical structure in user-item profiles; (2) an automatic hierarchical representation by optimizing Dasgupta's cost, which discovers hierarchical structures without requiring predefined hyperparameters, enabling user-adjustable exploration-exploitation trade-offs. Extensive experiments demonstrate that HERec consistently outperforms both Euclidean and hyperbolic baselines, achieving up to 5.49% improvement in utility metrics and 11.39% increase in diversity metrics, effectively mitigating information cocoons. We open-source our model implementation at https://github.com/Martin-qyma/HERec.

Zitian Guo, Yupeng Hou, Clark Mingxuan Ju et al.

Generative recommendation models employing Semantic IDs (SIDs) exhibit strong potential, yet their practical deployment is bottlenecked by the high inference latency of beam-expanded autoregressive decoding. In this work, we identify that standard attention-heavy Transformer decoders represent a structural overkill for this task: the hierarchical nature of SIDs makes prediction difficulty drops sharply after the first token, rendering repeated attention computations highly redundant. Driven by this insight, we propose SID-MLP, a lightweight MLP-centric distillation framework that fundamentally simplifies the decoding paradigm for GR. Instead of executing complex, step-by-step attention mechanisms, our approach captures the global user context in a single operation, decoupled from sequential token prediction. We then distill the heavy autoregressive teacher into position-specific MLP heads, eliminating the dense attention overhead while preserving prefix and context dependencies. Extensive experiments demonstrate that SID-MLP matches the accuracy of teacher models while accelerating inference by 8.74x. Crucially, this distillation strategy can serve as a plug-and-play accelerator for different backbones and tokenizer settings. Furthermore, we introduce SID-MLP++, extending our distillation framework to replace the Transformer encoder, unlocking further latency reductions. Ultimately, our work reveals that decoder-side MLPs distillation is an effective acceleration path for structured SID recommendation, while full encoder replacement offers an additional speed--accuracy trade-off.

Yijun Pan, Weikang Qiu, Qiyao Ma et al.

Modern recommender systems must adapt to dynamic, need-specific objectives for diverse recommendation scenarios, yet most traditional recommenders are optimized for a single static target and struggle to reconfigure behavior on demand. Recent advances in reinforcement-learning-based post-training have unlocked strong instruction-following and reasoning capabilities in LLMs, suggesting a principled route for aligning them to complex recommendation goals. Motivated by this, we study closed-set autoregressive ranking, where an LLM generates a permutation over a fixed candidate set conditioned on user context and an explicit need instruction. However, applying RL to this setting faces two key obstacles: (i) sequence-level rewards yield coarse credit assignment that fails to provide fine-grained training signals, and (ii) interaction feedback is sparse and noisy, which together lead to inefficient and unstable updates. We propose FlexRec, a post-training RL framework that addresses both issues with (1) a causally grounded item-level reward based on counterfactual swaps within the remaining candidate pool, and (2) critic-guided, uncertainty-aware scaling that explicitly models reward uncertainty and down-weights low-confidence rewards to stabilize learning under sparse supervision. Across diverse recommendation scenarios and objectives, FlexRec achieves substantial gains: it improves NDCG@5 by up to \textbf{59\%} and Recall@5 by up to \textbf{109.4\%} in need-specific ranking, and further achieves up to \textbf{24.1\%} Recall@5 improvement under generalization settings, outperforming strong traditional recommenders and LLM-based baselines.

Tong Zhao, Wei Jin, Yozen Liu et al.

Data augmentation has recently seen increased interest in graph machine learning given its demonstrated ability to improve model performance and generalization by added training data. Despite this recent surge, the area is still relatively under-explored, due to the challenges brought by complex, non-Euclidean structure of graph data, which limits the direct analogizing of traditional augmentation operations on other types of image, video or text data. Our work aims to give a necessary and timely overview of existing graph data augmentation methods; notably, we present a comprehensive and systematic survey of graph data augmentation approaches, summarizing the literature in a structured manner. We first introduce three different taxonomies for categorizing graph data augmentation methods from the data, task, and learning perspectives, respectively. Next, we introduce recent advances in graph data augmentation, differentiated by their methodologies and applications. We conclude by outlining currently unsolved challenges and directions for future research. Overall, our work aims to clarify the landscape of existing literature in graph data augmentation and motivates additional work in this area, providing a helpful resource for researchers and practitioners in the broader graph machine learning domain. Additionally, we provide a continuously updated reading list at https://github.com/zhao-tong/graph-data-augmentation-papers.

Yu Wang, Yuying Zhao, Neil Shah et al.

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns with many real-world scenarios in which some classes have much fewer labels than others. Directly training GNNs under this imbalanced scenario may lead to uninformative representations of graphs in minority classes, and compromise the overall classification performance, which signifies the importance of developing effective GNNs towards handling imbalanced graph classification. Existing methods are either tailored for non-graph structured data or designed specifically for imbalanced node classification while few focus on imbalanced graph classification. To this end, we introduce a novel framework, Graph-of-Graph Neural Networks (G$^2$GNN), which alleviates the graph imbalance issue by deriving extra supervision globally from neighboring graphs and locally from stochastic augmentations of graphs. Globally, we construct a graph of graphs (GoG) based on kernel similarity and perform GoG propagation to aggregate neighboring graph representations. Locally, we employ topological augmentation via masking node features or dropping edges with self-consistency regularization to generate stochastic augmentations of each graph that improve the model generalibility. Extensive graph classification experiments conducted on seven benchmark datasets demonstrate our proposed G$^2$GNN outperforms numerous baselines by roughly 5\% in both F1-macro and F1-micro scores. The implementation of G$^2$GNN is available at https://github.com/YuWVandy/G2GNN}{https://github.com/YuWVandy/G2GNN

Wei Jin, Lingxiao Zhao, Shichang Zhang et al.

Given the prevalence of large-scale graphs in real-world applications, the storage and time for training neural models have raised increasing concerns. To alleviate the concerns, we propose and study the problem of graph condensation for graph neural networks (GNNs). Specifically, we aim to condense the large, original graph into a small, synthetic and highly-informative graph, such that GNNs trained on the small graph and large graph have comparable performance. We approach the condensation problem by imitating the GNN training trajectory on the original graph through the optimization of a gradient matching loss and design a strategy to condense node futures and structural information simultaneously. Extensive experiments have demonstrated the effectiveness of the proposed framework in condensing different graph datasets into informative smaller graphs. In particular, we are able to approximate the original test accuracy by 95.3% on Reddit, 99.8% on Flickr and 99.0% on Citeseer, while reducing their graph size by more than 99.9%, and the condensed graphs can be used to train various GNN architectures.Code is released at https://github.com/ChandlerBang/GCond.

Wei Jin, Xiaorui Liu, Xiangyu Zhao et al.

Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that "like attracts like," as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code is released at https://github.com/ChandlerBang/AutoSSL.

Liam Collins, Bhuvesh Kumar, Clark Mingxuan Ju et al.

Modern Sequential Recommendation (SR) models commonly utilize modality features to represent items, motivated in large part by recent advancements in language and vision modeling. To do so, several works completely replace ID embeddings with modality embeddings, claiming that modality embeddings render ID embeddings unnecessary because they can match or even exceed ID embedding performance. On the other hand, many works jointly utilize ID and modality features, but posit that complex fusion strategies, such as multi-stage training and/or intricate alignment architectures, are necessary for this joint utilization. However, underlying both these lines of work is a lack of understanding of the complementarity of ID and modality features. In this work, we address this gap by studying the complementarity of ID- and text-based SR models. We show that these models do learn complementary signals, meaning that either should provide performance gain when used properly alongside the other. Motivated by this, we propose a new SR method that preserves ID-text complementarity through independent model training, then harnesses it through a simple ensembling strategy. Despite this method's simplicity, we show it outperforms several competitive SR baselines, implying that both ID and text features are necessary to achieve state-of-the-art SR performance but complex fusion architectures are not.

Haitao Mao, Zhikai Chen, Wenzhuo Tang et al. · deepmind

Graph Foundation Models (GFMs) are emerging as a significant research topic in the graph domain, aiming to develop graph models trained on extensive and diverse data to enhance their applicability across various tasks and domains. Developing GFMs presents unique challenges over traditional Graph Neural Networks (GNNs), which are typically trained from scratch for specific tasks on particular datasets. The primary challenge in constructing GFMs lies in effectively leveraging vast and diverse graph data to achieve positive transfer. Drawing inspiration from existing foundation models in the CV and NLP domains, we propose a novel perspective for the GFM development by advocating for a ``graph vocabulary'', in which the basic transferable units underlying graphs encode the invariance on graphs. We ground the graph vocabulary construction from essential aspects including network analysis, expressiveness, and stability. Such a vocabulary perspective can potentially advance the future GFM design in line with the neural scaling laws. All relevant resources with GFM design can be found here.

Runjin Chen, Mingxuan Ju, Ngoc Bui et al.

Generative recommendation systems, driven by large language models (LLMs), present an innovative approach to predicting user preferences by modeling items as token sequences and generating recommendations in a generative manner. A critical challenge in this approach is the effective tokenization of items, ensuring that they are represented in a form compatible with LLMs. Current item tokenization methods include using text descriptions, numerical strings, or sequences of discrete tokens. While text-based representations integrate seamlessly with LLM tokenization, they are often too lengthy, leading to inefficiencies and complicating accurate generation. Numerical strings, while concise, lack semantic depth and fail to capture meaningful item relationships. Tokenizing items as sequences of newly defined tokens has gained traction, but it often requires external models or algorithms for token assignment. These external processes may not align with the LLM's internal pretrained tokenization schema, leading to inconsistencies and reduced model performance. To address these limitations, we propose a self-improving item tokenization method that allows the LLM to refine its own item tokenizations during training process. Our approach starts with item tokenizations generated by any external model and periodically adjusts these tokenizations based on the LLM's learned patterns. Such alignment process ensures consistency between the tokenization and the LLM's internal understanding of the items, leading to more accurate recommendations. Furthermore, our method is simple to implement and can be integrated as a plug-and-play enhancement into existing generative recommendation systems. Experimental results on multiple datasets and using various initial tokenization strategies demonstrate the effectiveness of our method, with an average improvement of 8\% in recommendation performance.

Mingxuan Ju, William Shiao, Zhichun Guo et al.

Collaborative filtering (CF) has exhibited prominent results for recommender systems and been broadly utilized for real-world applications. A branch of research enhances CF methods by message passing used in graph neural networks, due to its strong capabilities of extracting knowledge from graph-structured data, like user-item bipartite graphs that naturally exist in CF. They assume that message passing helps CF methods in a manner akin to its benefits for graph-based learning tasks in general. However, even though message passing empirically improves CF, whether or not this assumption is correct still needs verification. To address this gap, we formally investigate why message passing helps CF from multiple perspectives and show that many assumptions made by previous works are not entirely accurate. With our curated ablation studies and theoretical analyses, we discover that (1) message passing improves the CF performance primarily by additional representations passed from neighbors during the forward pass instead of additional gradient updates to neighbor representations during the model back-propagation and (ii) message passing usually helps low-degree nodes more than high-degree nodes. Utilizing these novel findings, we present Test-time Aggregation for CF, namely TAG-CF, a test-time augmentation framework that only conducts message passing once at inference time. The key novelty of TAG-CF is that it effectively utilizes graph knowledge while circumventing most of notorious computational overheads of message passing. Besides, TAG-CF is extremely versatile can be used as a plug-and-play module to enhance representations trained by different CF supervision signals. Evaluated on six datasets, TAG-CF consistently improves the recommendation performance of CF methods without graph by up to 39.2% on cold users and 31.7% on all users, with little to no extra computational overheads.

Vijay Prakash Dwivedi, Yozen Liu, Anh Tuan Luu et al.

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the computational feasibility of the global attention mechanism is possible. The next goal is to scale up these architectures to handle very large graphs on the scale of millions or even billions of nodes. With large-scale graphs, global attention learning is proven impractical due to its quadratic complexity w.r.t. the number of nodes. On the other hand, neighborhood sampling techniques become essential to manage large graph sizes, yet finding the optimal trade-off between speed and accuracy with sampling techniques remains challenging. This work advances representation learning on single large-scale graphs with a focus on identifying model characteristics and critical design constraints for developing scalable graph transformer (GT) architectures. We argue such GT requires layers that can adeptly learn both local and global graph representations while swiftly sampling the graph topology. As such, a key innovation of this work lies in the creation of a fast neighborhood sampling technique coupled with a local attention mechanism that encompasses a 4-hop reception field, but achieved through just 2-hop operations. This local node embedding is then integrated with a global node embedding, acquired via another self-attention layer with an approximate global codebook, before finally sent through a downstream layer for node predictions. The proposed GT framework, named LargeGT, overcomes previous computational bottlenecks and is validated on three large-scale node classification benchmarks. We report a 3x speedup and 16.8% performance gain on ogbn-products and snap-patents, while we also scale LargeGT on ogbn-papers100M with a 5.9% performance improvement.

Jingzhe Liu, Haitao Mao, Zhikai Chen et al.

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from scratch on each dataset, leading to an expertise-intensive process with difficulty in generalizing across graphs from different domains. Therefore, it can be hard for practitioners to infer which GNN model can generalize well to graphs from their domains. To address this challenge, we propose a novel cross-domain pretraining framework, "one model for one graph," which overcomes the limitations of previous approaches that failed to use a single GNN to capture diverse graph patterns across domains with significant gaps. Specifically, we pretrain a bank of expert models, with each one corresponding to a specific dataset. When inferring to a new graph, gating functions choose a subset of experts to effectively integrate prior model knowledge while avoiding negative transfer. Extensive experiments consistently demonstrate the superiority of our proposed method on both link prediction and node classification tasks.

Jingzhe Liu, Haitao Mao, Zhikai Chen et al.

Deep graph models (e.g., graph neural networks and graph transformers) have become important techniques for leveraging knowledge across various types of graphs. Yet, the neural scaling laws on graphs, i.e., how the performance of deep graph models changes with model and dataset sizes, have not been systematically investigated, casting doubts on the feasibility of achieving large graph models. To fill this gap, we benchmark many graph datasets from different tasks and make an attempt to establish the neural scaling laws on graphs from both model and data perspectives. The model size we investigated is up to 100 million parameters, and the dataset size investigated is up to 50 million samples. We first verify the validity of such laws on graphs, establishing proper formulations to describe the scaling behaviors. For model scaling, we identify that despite the parameter numbers, the model depth also plays an important role in affecting the model scaling behaviors, which differs from observations in other domains such as CV and NLP. For data scaling, we suggest that the number of graphs can not effectively measure the graph data volume in scaling law since the sizes of different graphs are highly irregular. Instead, we reform the data scaling law with the number of nodes or edges as the metric to address the irregular graph sizes. We further demonstrate that the reformed law offers a unified view of the data scaling behaviors for various fundamental graph tasks including node classification, link prediction, and graph classification. This work provides valuable insights into neural scaling laws on graphs, which can serve as an important tool for collecting new graph data and developing large graph models.

Clark Mingxuan Ju, Tong Zhao, Leonardo Neves et al.

Effective item identifiers (IDs) are an important component for recommender systems (RecSys) in practice, and are commonly adopted in many use cases such as retrieval and ranking. IDs can encode collaborative filtering signals within training data, such that RecSys models can extrapolate during the inference and personalize the prediction based on users' behavioral histories. Recently, Semantic IDs (SIDs) have become a trending paradigm for RecSys. In comparison to the conventional atomic ID, an SID is an ordered list of codes, derived from tokenizers such as residual quantization, applied to semantic representations commonly extracted from foundation models or collaborative signals. SIDs have drastically smaller cardinality than the atomic counterpart, and induce semantic clustering in the ID space. At Snapchat, we apply SIDs as auxiliary features for ranking models, and also explore SIDs as additional retrieval sources in different ML applications. In this paper, we discuss practical technical challenges we encountered while applying SIDs, experiments we have conducted, and design choices we have iterated to mitigate these challenges. Backed by promising offline results on both internal data and academic benchmarks as well as online A/B studies, SID variants have been launched in multiple production models with positive metrics impact.

Donald Loveland, Xinyi Wu, Tong Zhao et al.

Collaborative Filtering (CF) methods dominate real-world recommender systems given their ability to learn high-quality, sparse ID-embedding tables that effectively capture user preferences. These tables scale linearly with the number of users and items, and are trained to ensure high similarity between embeddings of interacted user-item pairs, while maintaining low similarity for non-interacted pairs. Despite their high performance, encouraging dispersion for non-interacted pairs necessitates expensive regularization (e.g., negative sampling), hurting runtime and scalability. Existing research tends to address these challenges by simplifying the learning process, either by reducing model complexity or sampling data, trading performance for runtime. In this work, we move beyond model-level modifications and study the properties of the embedding tables under different learning strategies. Through theoretical analysis, we find that the singular values of the embedding tables are intrinsically linked to different CF loss functions. These findings are empirically validated on real-world datasets, demonstrating the practical benefits of higher stable rank, a continuous version of matrix rank which encodes the distribution of singular values. Based on these insights, we propose an efficient warm-start strategy that regularizes the stable rank of the user and item embeddings. We show that stable rank regularization during early training phases can promote higher-quality embeddings, resulting in training speed improvements of up to 66%. Additionally, stable rank regularization can act as a proxy for negative sampling, allowing for performance gains of up to 21% over loss functions with small negative sampling ratios. Overall, our analysis unifies current CF methods under a new perspective, their optimization of stable rank, motivating a flexible regularization method.

Zhichun Guo, Tong Zhao, Yozen Liu et al.

Graph Neural Networks (GNNs) are prominent in graph machine learning and have shown state-of-the-art performance in Link Prediction (LP) tasks. Nonetheless, recent studies show that GNNs struggle to produce good results on low-degree nodes despite their overall strong performance. In practical applications of LP, like recommendation systems, improving performance on low-degree nodes is critical, as it amounts to tackling the cold-start problem of improving the experiences of users with few observed interactions. In this paper, we investigate improving GNNs' LP performance on low-degree nodes while preserving their performance on high-degree nodes and propose a simple yet surprisingly effective augmentation technique called NodeDup. Specifically, NodeDup duplicates low-degree nodes and creates links between nodes and their own duplicates before following the standard supervised LP training scheme. By leveraging a ''multi-view'' perspective for low-degree nodes, NodeDup shows significant LP performance improvements on low-degree nodes without compromising any performance on high-degree nodes. Additionally, as a plug-and-play augmentation module, NodeDup can be easily applied to existing GNNs with very light computational cost. Extensive experiments show that NodeDup achieves 38.49%, 13.34%, and 6.76% improvements on isolated, low-degree, and warm nodes, respectively, on average across all datasets compared to GNNs and state-of-the-art cold-start methods.

Neil Shah, Shirish Karande, Vineet Gandhi

Current Non-Audible Murmur (NAM)-to-speech techniques rely on voice cloning to simulate ground-truth speech from paired whispers. However, the simulated speech often lacks intelligibility and fails to generalize well across different speakers. To address this issue, we focus on learning phoneme-level alignments from paired whispers and text and employ a Text-to-Speech (TTS) system to simulate the ground-truth. To reduce dependence on whispers, we learn phoneme alignments directly from NAMs, though the quality is constrained by the available training data. To further mitigate reliance on NAM/whisper data for ground-truth simulation, we propose incorporating the lip modality to infer speech and introduce a novel diffusion-based method that leverages recent advancements in lip-to-speech technology. Additionally, we release the MultiNAM dataset with over 7.96 hours of paired NAM, whisper, video, and text data from two speakers and benchmark all methods on this dataset. Speech samples and the dataset are available at https://diff-nam.github.io/DiffNAM/

Jing Zhu, Mingxuan Ju, Yozen Liu et al.

Generative recommendation (GR) has become a powerful paradigm in recommendation systems that implicitly links modality and semantics to item representation, in contrast to previous methods that relied on non-semantic item identifiers in autoregressive models. However, previous research has predominantly treated modalities in isolation, typically assuming item content is unimodal (usually text). We argue that this is a significant limitation given the rich, multimodal nature of real-world data and the potential sensitivity of GR models to modality choices and usage. Our work aims to explore the critical problem of Multimodal Generative Recommendation (MGR), highlighting the importance of modality choices in GR nframeworks. We reveal that GR models are particularly sensitive to different modalities and examine the challenges in achieving effective GR when multiple modalities are available. By evaluating design strategies for effectively leveraging multiple modalities, we identify key challenges and introduce MGR-LF++, an enhanced late fusion framework that employs contrastive modality alignment and special tokens to denote different modalities, achieving a performance improvement of over 20% compared to single-modality alternatives.