Daily Papers

Subgraph-based graph representation learning (SGRL) has recently emerged as a powerful tool in many prediction tasks on graphs due to its advantages in model expressiveness and generalization ability. Most previous SGRL models face computational challenges associated with the high cost of subgraph extraction for each training or test query. Recently, SUREL was proposed to accelerate SGRL, which samples random walks offline and joins these walks online as a proxy of subgraph for representation learning. Thanks to the reusability of sampled walks across different queries, SUREL achieves state-of-the-art performance in terms of scalability and prediction accuracy. However, SUREL still suffers from high computational overhead caused by node duplication in sampled walks. In this work, we propose a novel framework SUREL+ that upgrades SUREL by using node sets instead of walks to represent subgraphs. This set-based representation eliminates repeated nodes by definition but can also be irregular in size. To address this issue, we design a customized sparse data structure to efficiently store and access node sets and provide a specialized operator to join them in parallel batches. SUREL+ is modularized to support multiple types of set samplers, structural features, and neural encoders to complement the structural information loss after the reduction from walks to sets. Extensive experiments have been performed to validate SUREL+ in the prediction tasks of links, relation types, and higher-order patterns. SUREL+ achieves 3-11times speedups of SUREL while maintaining comparable or even better prediction performance; compared to other SGRL baselines, SUREL+ achieves sim20times speedups and significantly improves the prediction accuracy.

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

Attributed bipartite graphs (ABGs) are an expressive data model for describing the interactions between two sets of heterogeneous nodes that are associated with rich attributes, such as customer-product purchase networks and author-paper authorship graphs. Partitioning the target node set in such graphs into k disjoint clusters (referred to as k-ABGC) finds widespread use in various domains, including social network analysis, recommendation systems, information retrieval, and bioinformatics. However, the majority of existing solutions towards k-ABGC either overlook attribute information or fail to capture bipartite graph structures accurately, engendering severely compromised result quality. The severity of these issues is accentuated in real ABGs, which often encompass millions of nodes and a sheer volume of attribute data, rendering effective k-ABGC over such graphs highly challenging. In this paper, we propose TPO, an effective and efficient approach to k-ABGC that achieves superb clustering performance on multiple real datasets. TPO obtains high clustering quality through two major contributions: (i) a novel formulation and transformation of the k-ABGC problem based on multi-scale attribute affinity specialized for capturing attribute affinities between nodes with the consideration of their multi-hop connections in ABGs, and (ii) a highly efficient solver that includes a suite of carefully-crafted optimizations for sidestepping explicit affinity matrix construction and facilitating faster convergence. Extensive experiments, comparing TPO against 19 baselines over 5 real ABGs, showcase the superior clustering quality of TPO measured against ground-truth labels. Moreover, compared to the state of the arts, TPO is often more than 40x faster over both small and large ABGs.

Mixture of experts has emerged as the primary mechanism for making Large Language Models (LLMs) computationally efficient. However, in distributed settings, communicating token embeddings between experts is a significant bottleneck. We present the novel Federation of Experts (FoE) architecture. FoE restructures the MoE block of a transformer layer into multiple MoE clusters. Each cluster is responsible for only one of the KV heads and expert parallelism is applied between those experts. Between clusters, a sum synchronizes the post-attention residuals, which then drives routing and dispatch for the next MoE block. In a single-node setting, FoE completely eliminates all-to-all communication as all experts within a group are contained on the same GPU. In multi-node settings, FoE confines all-to-all communication to the intra-node fabric, thus significantly reducing communication overhead. An implementation of FoE finds that on LongBench, FoE significantly improves inference throughput and latency in both single-node and multi-node settings, reducing the end-to-end forward-pass latency by up to 5.2x, TTFT by 3.62x, and TBT by 1.95x. It does so while achieving comparable generation quality to a mixture of experts model of the same size and training configuration.

Given a signed bipartite graph (SBG) G with two disjoint node sets U and V, the goal of link sign prediction is to predict the signs of potential links connecting U and V based on known positive and negative edges in G. The majority of existing solutions towards link sign prediction mainly focus on unipartite signed graphs, which are sub-optimal due to the neglect of node heterogeneity and unique bipartite characteristics of SBGs. To this end, recent studies adapt graph neural networks to SBGs by introducing message-passing schemes for both inter-partition (UxV) and intra-partition (UxU or VxV) node pairs. However, the fundamental spectral convolutional operators were originally designed for positive links in unsigned graphs, and thus, are not optimal for inferring missing positive or negative links from known ones in SBGs. Motivated by this, this paper proposes GegenNet, a novel and effective spectral convolutional neural network model for link sign prediction in SBGs. In particular, GegenNet achieves enhanced model capacity and high predictive accuracy through three main technical contributions: (i) fast and theoretically grounded spectral decomposition techniques for node feature initialization; (ii) a new spectral graph filter based on the Gegenbauer polynomial basis; and (iii) multi-layer sign-aware spectral convolutional networks alternating Gegenbauer polynomial filters with positive and negative edges. Our extensive empirical studies reveal that GegenNet can achieve significantly superior performance (up to a gain of 4.28% in AUC and 11.69% in F1) in link sign prediction compared to 11 strong competitors over 6 benchmark SBG datasets.

To realize the full potential of quantum computers, we must mitigate qubit errors by developing noise-aware algorithms, compilers, and architectures. Thus, simulating quantum programs on high-performance computing (HPC) systems with different noise models is a de facto tool researchers use. Unfortunately, noisy simulators iteratively execute a similar circuit for thousands of trials, thereby incurring significant performance overheads. To address this, we propose a noisy simulation technique called Tree-Based Quantum Circuit Simulation (TQSim). TQSim exploits the reusability of intermediate results during the noisy simulation, reducing computation. TQSim dynamically partitions a circuit into several subcircuits. It then reuses the intermediate results from these subcircuits during computation. Compared to a noisy Qulacs-based baseline simulator, TQSim achieves a speedup of up to 3.89x for noisy simulations. TQSim is designed to be efficient with multi-node setups while also maintaining tight fidelity bounds.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is grounded in a faithful recovered causal mechanism. Each episode places an agent in a synthetic laboratory: it receives prior measurement records, intervenes on a manipulator crystal, and predicts the resonance frequency of a held-out reactor crystal governed by the same mechanism. The hidden data-generating process is a randomly sampled structural causal model (SCM), so success requires recovering both a causal graph and structural equations rather than recalling prior knowledge. Experiments show a persistent gap between prediction and mechanism recovery: in the purely observational 6-node setting, GPT-5.2-high reaches 92% task accuracy but only 0.471 all-edge F_1. Mixed observation-intervention strategies improve structural fidelity, while pure intervention remains difficult even for strong agents. We identify premature stopping as a major weakness and show that consistency verification mitigates it. CausaLab therefore separates predictive success from causal understanding and exposes current LLM agents' limits as experimental causal reasoners.

Multi-relational graphs (MRGs) are an expressive data structure for modeling diverse interactions/relations among real objects (i.e., nodes), which pervade extensive applications and scenarios. Given an MRG G with N nodes, partitioning the node set therein into K disjoint clusters (MRGC) is a fundamental task in analyzing MRGs, which has garnered considerable attention. However, the majority of existing solutions towards MRGC either yield severely compromised result quality by ineffective fusion of heterogeneous graph structures and attributes, or struggle to cope with sizable MRGs with millions of nodes and billions of edges due to the adoption of sophisticated and costly deep learning models. In this paper, we present DEMM and DEMM+, two effective MRGC approaches to address the limitations above. Specifically, our algorithms are built on novel two-stage optimization objectives, where the former seeks to derive high-caliber node feature vectors by optimizing the multi-relational Dirichlet energy specialized for MRGs, while the latter minimizes the Dirichlet energy of clustering results over the node affinity graph. In particular, DEMM+ achieves significantly higher scalability and efficiency over our based method DEMM through a suite of well-thought-out optimizations. Key technical contributions include (i) a highly efficient approximation solver for constructing node feature vectors, and (ii) a theoretically-grounded problem transformation with carefully-crafted techniques that enable linear-time clustering without explicitly materializing the NxN dense affinity matrix. Further, we extend DEMM+ to handle attribute-less MRGs through non-trivial adaptations. Extensive experiments, comparing DEMM+ against 20 baselines over 11 real MRGs, exhibit that DEMM+ is consistently superior in terms of clustering quality measured against ground-truth labels, while often being remarkably faster.

Evaluations of LLM systems routinely average over small prompt sets and report models as a ranked table. We ask how much confidence such a table deserves, using LLM-based prompt-structure inference as the case study: eight open model variants across five families and 8B to 675B parameters, caching disabled, 293 raw intermediate representations persisted. The measured phenomenon is unstable to begin with. Identical calls do not reliably recover identical structure, with mean node-set Jaccard from 0.39 to 0.96 and 72% of prompt-model cells never node-set-perfect. Auditing the evaluation weakens its conclusions further, and this is our main contribution. Under a joint cluster bootstrap over prompts, only the bottom of the ranking is firm: the two least reproducible models hold rank in 99% and 86% of replicates, the middle four in 27% to 48%, and the top two in 68% each, so the table identifies the worst model reliably but does not reliably identify the best. Two equally defensible rules for merging repeated campaigns change four of eight rows and move the study-wide headline by 7 percentage points. Checking the inferred structure against ground-truth annotations shows reproducibility cannot be read as accuracy. And four of the eight endpoints were withdrawn within ten weeks of measurement, so the study as specified can no longer be run. Small-sample LLM evaluations can therefore look far more definitive than their evidence supports. We recommend reporting rank stability, per-cell provenance, executed sensitivity comparisons, raw per-run outputs, and a measurement date alongside any ranking.

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.

We introduce a new dataset named WikiVitals which contains a large graph of 48k mutually referred Wikipedia articles classified into 32 categories and connected by 2.3M edges. Our aim is to rigorously evaluate the contributions of three distinct sources of information to the label prediction in a semi-supervised node classification setting, namely the content of the articles, their connections with each other and the correlations among their labels. We perform this evaluation using a Graph Markov Neural Network which provides a theoretically principled model for this task and we conduct a detailed evaluation of the contributions of each sources of information using a clear separation of model selection and model assessment. One interesting observation is that including the effect of label dependencies is more relevant for sparse train sets than it is for dense train sets.

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

The rise of LLM-as-a-Service and other confidential cloud workloads demands cryptographic proof that user data is processed in a trusted, untampered environment. Existing solutions, notably Confidential Containers (CoCo), enforce a strict "one Pod per VM" model that attests only the Guest OS stack, leaving container-level identity unverified and incurring prohibitive per-VM resource overhead. We present dstack-capsule, a Kubernetes platform that enables Pod-level remote attestation on Intel TDX by allowing multiple Pods to share a single Confidential VM while each retains independent, hardware-backed proof of identity. Our key insight is a two-layer attestation architecture: static platform measurements are frozen in RTMR[3] via an irreversible privilege fuse, while dynamic Pod identities (pod_uid, pod_spec_hash, workload_id) are embedded in the TDX Quote's report_data field and signed by hardware on every request. dstack-capsule introduces (1) a Pod-level attestation protocol binding Pod spec digests to hardware-signed Quotes; (2) a privilege fuse mechanism that atomically transitions a node from setup mode to secure mode; (3) a multi-layer sandbox spanning storage, runtime, admission, API, and network isolation layers; and (4) a complete open-source implementation based on Kubernetes 1.32, Intel TDX, and Sysbox. We evaluate the security properties, attestation correctness, and performance characteristics of dstack-capsule, demonstrating that it achieves Pod-granularity verification without the resource overhead of per-VM isolation.

Graph Edit Distance (GED) measures the (dis-)similarity between two given graphs, in terms of the minimum-cost edit sequence that transforms one graph to the other. However, the exact computation of GED is NP-Hard, which has recently motivated the design of neural methods for GED estimation. However, they do not explicitly account for edit operations with different costs. In response, we propose GRAPHEDX, a neural GED estimator that can work with general costs specified for the four edit operations, viz., edge deletion, edge addition, node deletion and node addition. We first present GED as a quadratic assignment problem (QAP) that incorporates these four costs. Then, we represent each graph as a set of node and edge embeddings and use them to design a family of neural set divergence surrogates. We replace the QAP terms corresponding to each operation with their surrogates. Computing such neural set divergence require aligning nodes and edges of the two graphs. We learn these alignments using a Gumbel-Sinkhorn permutation generator, additionally ensuring that the node and edge alignments are consistent with each other. Moreover, these alignments are cognizant of both the presence and absence of edges between node-pairs. Experiments on several datasets, under a variety of edit cost settings, show that GRAPHEDX consistently outperforms state-of-the-art methods and heuristics in terms of prediction error.

Graph convolutional networks (GCNs) are the most commonly used methods for skeleton-based action recognition and have achieved remarkable performance. Generating adjacency matrices with semantically meaningful edges is particularly important for this task, but extracting such edges is challenging problem. To solve this, we propose a hierarchically decomposed graph convolutional network (HD-GCN) architecture with a novel hierarchically decomposed graph (HD-Graph). The proposed HD-GCN effectively decomposes every joint node into several sets to extract major structurally adjacent and distant edges, and uses them to construct an HD-Graph containing those edges in the same semantic spaces of a human skeleton. In addition, we introduce an attention-guided hierarchy aggregation (A-HA) module to highlight the dominant hierarchical edge sets of the HD-Graph. Furthermore, we apply a new six-way ensemble method, which uses only joint and bone stream without any motion stream. The proposed model is evaluated and achieves state-of-the-art performance on four large, popular datasets. Finally, we demonstrate the effectiveness of our model with various comparative experiments.

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods -- Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx) -- in node-level OOD settings. Our analysis reveals a critical limitation: due to the lack of class-conditional invariance constraints, these methods may struggle to accurately identify the structure of the predictive invariant ego-graph and consequently rely on spurious features. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning cross-environment representations conditioned on the same class, bypassing the need for explicit knowledge of the causal pattern structure. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization. The codes are available at https://github.com/NOVAglow646/NeurIPS24-Invariant-Learning-on-Graphs.

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the dependence between datapoints induced by the graph structure. We leverage recent advances in conformal prediction to construct prediction sets for node classification in inductive learning scenarios. We do this by taking an existing approach for conformal classification that relies on exchangeable data and modifying it by appropriately weighting the conformal scores to reflect the network structure. We show through experiments on standard benchmark datasets using popular GNN models that our approach provides tighter and better calibrated prediction sets than a naive application of conformal prediction.

Graph neural networks (GNNs) achieve strong performance on homophilic graphs but often struggle under heterophily, where adjacent nodes frequently belong to different classes. We propose an interpretable and adaptive framework for semi-supervised node classification based on explicit combinatorial inference rather than deep message passing. Our method assigns labels using a confidence-ordered greedy procedure driven by an additive scoring function that integrates class priors, neighborhood statistics, feature similarity, and training-derived label-label compatibility. A small set of transparent hyperparameters controls the relative influence of these components, enabling smooth adaptation between homophilic and heterophilic regimes. We further introduce a validation-gated hybrid strategy in which combinatorial predictions are optionally injected as priors into a lightweight neural model. Hybrid refinement is applied only when it improves validation performance, preserving interpretability when neuralization is unnecessary. All adaptation signals are computed strictly from training data, ensuring a leakage-free evaluation protocol. Experiments on heterophilic and transitional benchmarks demonstrate competitive performance with modern GNNs while offering advantages in interpretability, tunability, and computational efficiency.

Proximity preserving and structural role-based node embeddings have become a prime workhorse of applied graph mining. Novel node embedding techniques are often tested on a restricted set of benchmark datasets. In this paper, we propose a new diverse social network dataset called Twitch Gamers with multiple potential target attributes. Our analysis of the social network and node classification experiments illustrate that Twitch Gamers is suitable for assessing the predictive performance of novel proximity preserving and structural role-based node embedding algorithms.

This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.

Graph Neural Networks (GNNs) are a popular technique for modelling graph-structured data and computing node-level representations via aggregation of information from the neighborhood of each node. However, this aggregation implies an increased risk of revealing sensitive information, as a node can participate in the inference for multiple nodes. This implies that standard privacy-preserving machine learning techniques, such as differentially private stochastic gradient descent (DP-SGD) - which are designed for situations where each data point participates in the inference for one point only - either do not apply, or lead to inaccurate models. In this work, we formally define the problem of learning GNN parameters with node-level privacy, and provide an algorithmic solution with a strong differential privacy guarantee. We employ a careful sensitivity analysis and provide a non-trivial extension of the privacy-by-amplification technique to the GNN setting. An empirical evaluation on standard benchmark datasets demonstrates that our method is indeed able to learn accurate privacy-preserving GNNs which outperform both private and non-private methods that completely ignore graph information.

Graph neural networks (GNNs) have become the preferred models for node classification in graph data due to their robust capabilities in integrating graph structures and attributes. However, these models heavily depend on a substantial amount of high-quality labeled data for training, which is often costly to obtain. With the rise of large language models (LLMs), a promising approach is to utilize their exceptional zero-shot capabilities and extensive knowledge for node labeling. Despite encouraging results, this approach either requires numerous queries to LLMs or suffers from reduced performance due to noisy labels generated by LLMs. To address these challenges, we introduce Locle, an active self-training framework that does Label-free node Classification with LLMs cost-Effectively. Locle iteratively identifies small sets of "critical" samples using GNNs and extracts informative pseudo-labels for them with both LLMs and GNNs, serving as additional supervision signals to enhance model training. Specifically, Locle comprises three key components: (i) an effective active node selection strategy for initial annotations; (ii) a careful sample selection scheme to identify "critical" nodes based on label disharmonicity and entropy; and (iii) a label refinement module that combines LLMs and GNNs with a rewired topology. Extensive experiments on five benchmark text-attributed graph datasets demonstrate that Locle significantly outperforms state-of-the-art methods under the same query budget to LLMs in terms of label-free node classification. Notably, on the DBLP dataset with 14.3k nodes, Locle achieves an 8.08% improvement in accuracy over the state-of-the-art at a cost of less than one cent. Our code is available at https://github.com/HKBU-LAGAS/Locle.

Fair machine learning seeks to identify and mitigate biases in predictions against unfavorable populations characterized by demographic attributes, such as race and gender. Recently, a few works have extended fairness to graph data, such as social networks, but most of them neglect the causal relationships among data instances. This paper addresses the prevalent challenge in fairness-aware ML algorithms, which typically assume Independent and Identically Distributed (IID) data. We tackle the overlooked domain of non-IID, graph-based settings where data instances are interconnected, influencing the outcomes of fairness interventions. We base our research on the Network Structural Causal Model (NSCM) framework and posit two main assumptions: Decomposability and Graph Independence, which enable the computation of interventional distributions in non-IID settings using the do-calculus. Based on that, we develop the Message Passing Variational Autoencoder for Causal Inference (MPVA) to compute interventional distributions and facilitate causally fair node classification through estimated interventional distributions. Empirical evaluations on semi-synthetic and real-world datasets demonstrate that MPVA outperforms conventional methods by effectively approximating interventional distributions and mitigating bias. The implications of our findings underscore the potential of causality-based fairness in complex ML applications, setting the stage for further research into relaxing the initial assumptions to enhance model fairness.

We present H-Node Adversarial Noise Cancellation (H-Node ANC), a mechanistic framework that identifies, exploits, and defends hallucination representations in transformer-based large language models (LLMs) at the level of individual hidden-state dimensions. A logistic regression probe trained on last-token hidden states localizes hallucination signal to a small set of high-variance dimensions -- termed Hallucination Nodes (H-Nodes) -- with probe AUC reaching 0.90 across four architectures. A white-box adversarial attack amplifies these dimensions at inference time via a real-time forward hook, achieving a selectivity of 3.02x with less than 10% visibility to the defender. Adaptive ANC defense suppresses H-Node excess in-pass using confidence-weighted cancellation, reducing grounded activation drift by 33-42% over static cancellation. A dynamic iterative extension that re-ranks cancellation targets across successive passes recovers up to 0.69 robustness from a single-pass baseline of 8%. All contributions are validated on OPT-125M, Phi-3-mini-4k-instruct, LLaMA-3-8B-Instruct, and Mistral-7B-Instruct-v0.3 (125M-8B parameters). Perplexity impact is surgical (<5%) and MMLU degradation is at most 3%, confirming that the defense does not impair general reasoning capability.

Temporal hypergraphs provide a powerful paradigm for modeling time-dependent, higher-order interactions in complex systems. Representation learning for hypergraphs is essential for extracting patterns of the higher-order interactions that are critically important in real-world problems in social network analysis, neuroscience, finance, etc. However, existing methods are typically designed only for specific tasks or static hypergraphs. We present CAT-Walk, an inductive method that learns the underlying dynamic laws that govern the temporal and structural processes underlying a temporal hypergraph. CAT-Walk introduces a temporal, higher-order walk on hypergraphs, SetWalk, that extracts higher-order causal patterns. CAT-Walk uses a novel adaptive and permutation invariant pooling strategy, SetMixer, along with a set-based anonymization process that hides the identity of hyperedges. Finally, we present a simple yet effective neural network model to encode hyperedges. Our evaluation on 10 hypergraph benchmark datasets shows that CAT-Walk attains outstanding performance on temporal hyperedge prediction benchmarks in both inductive and transductive settings. It also shows competitive performance with state-of-the-art methods for node classification. (https://github.com/ubc-systopia/CATWalk)

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are commonly extracted from raw data which is of text or tabular (numeric/categorical) type in most real-world applications. The best models for such data types in most standard supervised learning settings with IID (non-graph) data are not simple neural network layers and thus are not easily incorporated into a GNN. Here we propose a robust stacking framework that fuses graph-aware propagation with arbitrary models intended for IID data, which are ensembled and stacked in multiple layers. Our layer-wise framework leverages bagging and stacking strategies to enjoy strong generalization, in a manner which effectively mitigates label leakage and overfitting. Across a variety of graph datasets with tabular/text node features, our method achieves comparable or superior performance relative to both tabular/text and graph neural network models, as well as existing state-of-the-art hybrid strategies that combine the two.

Text-attributed graphs have recently garnered significant attention due to their wide range of applications in web domains. Existing methodologies employ word embedding models for acquiring text representations as node features, which are subsequently fed into Graph Neural Networks (GNNs) for training. Recently, the advent of Large Language Models (LLMs) has introduced their powerful capabilities in information retrieval and text generation, which can greatly enhance the text attributes of graph data. Furthermore, the acquisition and labeling of extensive datasets are both costly and time-consuming endeavors. Consequently, few-shot learning has emerged as a crucial problem in the context of graph learning tasks. In order to tackle this challenge, we propose a lightweight paradigm called LLM4NG, which adopts a plug-and-play approach to empower text-attributed graphs through node generation using LLMs. Specifically, we utilize LLMs to extract semantic information from the labels and generate samples that belong to these categories as exemplars. Subsequently, we employ an edge predictor to capture the structural information inherent in the raw dataset and integrate the newly generated samples into the original graph. This approach harnesses LLMs for enhancing class-level information and seamlessly introduces labeled nodes and edges without modifying the raw dataset, thereby facilitating the node classification task in few-shot scenarios. Extensive experiments demonstrate the outstanding performance of our proposed paradigm, particularly in low-shot scenarios. For instance, in the 1-shot setting of the ogbn-arxiv dataset, LLM4NG achieves a 76% improvement over the baseline model.

Can a pretrained graph model replace training and tuning a separate predictor for each dataset? Answering this requires evaluating prediction quality alongside computational cost. We present NodeGround, a node classification benchmark that puts graph foundation models (GFMs) and dataset-specific supervised learning under a common evaluation framework. The benchmark spans 51 datasets and evaluates six GFMs alongside 15 supervised methods under two label-availability regimes. Shared data partitions, validation-only model selection, controlled hyperparameter searches, and multiple predictive metrics make comparisons systematic, while workflow measurements account for adaptation, training, tuning, and inference. The results favor carefully tuned graph neural networks overall. GraphPFN reaches third place by Elo when more labels are available, yet its relative strengths vary substantially with dataset properties. Efficiency comparisons further qualify the benefits of pretrained reuse: GVT and GraphPFN appear on the Pareto frontiers when supervised methods are represented by their default and fully tuned configurations. Adding intermediate tuning budgets removes this advantage for GVT and leaves GraphPFN extending the estimated frontier in the label-rich setting alone. Thus, reusing pretrained parameters does not yet provide a broadly reliable route to either stronger predictions or cheaper workflows. We release the evaluation pipeline, run-level records, and an open leaderboard at https://github.com/nums-ai/nodeground.

Within Human Activity Recognition (HAR), there is an insurmountable gap between the range of activities performed in life and those that can be captured in an annotated sensor dataset used in training. Failure to properly handle unseen activities seriously undermines any HAR classifier's reliability. Additionally within HAR, not all classes are equally dissimilar, some significantly overlap or encompass other sub-activities. Based on these observations, we arrange activity classes into a structured hierarchy. From there, we propose Hi-OSCAR: a Hierarchical Open-set Classifier for Activity Recognition, that can identify known activities at state-of-the-art accuracy while simultaneously rejecting unknown activities. This not only enables open-set classification, but also allows for unknown classes to be localized to the nearest internal node, providing insight beyond a binary "known/unknown" classification. To facilitate this and future open-set HAR research, we collected a new dataset: NFI_FARED. NFI_FARED contains data from multiple subjects performing nineteen activities from a range of contexts, including daily living, commuting, and rapid movements, which is fully public and available for download.

Large language models (LLMs) often exhibit systematic preferences for certain answer choices when responding to multiple-choice questions-a behavior known as selection bias. This bias reduces the accuracy and reliability of LLM outputs, limiting their usefulness in decision-critical applications. While prior work has focused on adjusting model inputs or outputs to mitigate this issue, our work takes a fundamentally different approach by identifying and removing the internal sources of bias. We introduce two methods: Bias Node Pruning (BNP), which prunes parameters that contribute to selection bias, and Auxiliary Option Injection (AOI), which introduces an additional answer choice to reduce bias in both white-box and black-box settings. To address the shortcomings of existing evaluation metrics, we propose Choice Kullback-Leibler Divergence (CKLD), a new metric that captures distributional imbalances in model predictions. Experiments on three LLMs across multiple datasets demonstrate that our methods consistently improve answer accuracy while reducing selection bias, providing a robust solution for both open- and closed-source models.

We introduce Hyperdimensional Graph Learner (HDGL), a novel method for node classification and link prediction in graphs. HDGL maps node features into a very high-dimensional space (hyperdimensional or HD space for short) using the injectivity property of node representations in a family of Graph Neural Networks (GNNs) and then uses HD operators such as bundling and binding to aggregate information from the local neighborhood of each node yielding latent node representations that can support both node classification and link prediction tasks. HDGL, unlike GNNs that rely on computationally expensive iterative optimization and hyperparameter tuning, requires only a single pass through the data set. We report results of experiments using widely used benchmark datasets which demonstrate that, on the node classification task, HDGL achieves accuracy that is competitive with that of the state-of-the-art GNN methods at substantially reduced computational cost; and on the link prediction task, HDGL matches the performance of DeepWalk and related methods, although it falls short of computationally demanding state-of-the-art GNNs.

We present Match-and-Fuse - a zero-shot, training-free method for consistent controlled generation of unstructured image sets - collections that share a common visual element, yet differ in viewpoint, time of capture, and surrounding content. Unlike existing methods that operate on individual images or densely sampled videos, our framework performs set-to-set generation: given a source set and user prompts, it produces a new set that preserves cross-image consistency of shared content. Our key idea is to model the task as a graph, where each node corresponds to an image and each edge triggers a joint generation of image pairs. This formulation consolidates all pairwise generations into a unified framework, enforcing local consistency while ensuring global coherence across the entire set. This is achieved by fusing internal features across image pairs, guided by dense input correspondences, without requiring masks or manual supervision, and by leveraging an emergent prior in text-to-image models that encourages coherent generation when multiple views share a single canvas. Match-and-Fuse achieves state-of-the-art consistency and visual quality, and unlocks new capabilities for content creation from image collections.

Detecting which nodes in graphs are outliers is a relatively new machine learning task with numerous applications. Despite the proliferation of algorithms developed in recent years for this task, there has been no standard comprehensive setting for performance evaluation. Consequently, it has been difficult to understand which methods work well and when under a broad range of settings. To bridge this gap, we present--to the best of our knowledge--the first comprehensive benchmark for unsupervised outlier node detection on static attributed graphs called BOND, with the following highlights. (1) We benchmark the outlier detection performance of 14 methods ranging from classical matrix factorization to the latest graph neural networks. (2) Using nine real datasets, our benchmark assesses how the different detection methods respond to two major types of synthetic outliers and separately to "organic" (real non-synthetic) outliers. (3) Using an existing random graph generation technique, we produce a family of synthetically generated datasets of different graph sizes that enable us to compare the running time and memory usage of the different outlier detection algorithms. Based on our experimental results, we discuss the pros and cons of existing graph outlier detection algorithms, and we highlight opportunities for future research. Importantly, our code is freely available and meant to be easily extendable: https://github.com/pygod-team/pygod/tree/main/benchmark

Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.

In this paper, we introduce a collaborative training algorithm of balanced random forests with convolutional neural networks for domain adaptation tasks. In real scenarios, most domain adaptation algorithms face the challenges from noisy, insufficient training data and open set categorization. In such cases, conventional methods suffer from overfitting and fail to successfully transfer the knowledge of the source to the target domain. To address these issues, the following two techniques are proposed. First, we introduce the optimized decision tree construction method with convolutional neural networks, in which the data at each node are split into equal sizes while maximizing the information gain. It generates balanced decision trees on deep features because of the even-split constraint, which contributes to enhanced discrimination power and reduced overfitting problem. Second, to tackle the domain misalignment problem, we propose the domain alignment loss which penalizes uneven splits of the source and target domain data. By collaboratively optimizing the information gain of the labeled source data as well as the entropy of unlabeled target data distributions, the proposed CoBRF algorithm achieves significantly better performance than the state-of-the-art methods.

Large Reasoning Models (LRMs) achieve superior performance by extending the thought length. However, a lengthy thinking trajectory leads to reduced efficiency. Most of the existing methods are stuck in the assumption of overthinking and attempt to reason efficiently by compressing the Chain-of-Thought, but this often leads to performance degradation. To address this problem, we introduce A*-Thought, an efficient tree search-based unified framework designed to identify and isolate the most essential thoughts from the extensive reasoning chains produced by these models. It formulates the reasoning process of LRMs as a search tree, where each node represents a reasoning span in the giant reasoning space. By combining the A* search algorithm with a cost function specific to the reasoning path, it can efficiently compress the chain of thought and determine a reasoning path with high information density and low cost. In addition, we also propose a bidirectional importance estimation mechanism, which further refines this search process and enhances its efficiency beyond uniform sampling. Extensive experiments on several advanced math tasks show that A*-Thought effectively balances performance and efficiency over a huge search space. Specifically, A*-Thought can improve the performance of QwQ-32B by 2.39times with low-budget and reduce the length of the output token by nearly 50% with high-budget. The proposed method is also compatible with several other LRMs, demonstrating its generalization capability. The code can be accessed at: https://github.com/AI9Stars/AStar-Thought.

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature imputation. However, these techniques (i) assume uniformity of feature set across nodes, (ii) are transductive by nature, and (iii) fail to work when features are added or removed over time. In this work, we address these limitations through a novel GNN framework called GRAFENNE. GRAFENNE performs a novel allotropic transformation on the original graph, wherein the nodes and features are decoupled through a bipartite encoding. Through a carefully chosen message passing framework on the allotropic transformation, we make the model parameter size independent of the number of features and thereby inductive to both unseen nodes and features. We prove that GRAFENNE is at least as expressive as any of the existing message-passing GNNs in terms of Weisfeiler-Leman tests, and therefore, the additional inductivity to unseen features does not come at the cost of expressivity. In addition, as demonstrated over four real-world graphs, GRAFENNE empowers the underlying GNN with high empirical efficacy and the ability to learn in continual fashion over streaming feature sets.

Reconstructing dynamic 3D scenes with photorealistic detail and strong temporal coherence remains a significant challenge. Existing Gaussian splatting approaches for dynamic scene modeling often rely on per-frame optimization, which can overfit to instantaneous states instead of capturing underlying motion dynamics. To address this, we present Mango-GS, a multi-frame, node-guided framework for high-fidelity 4D reconstruction. Mango-GS leverages a temporal Transformer to model motion dependencies within a short window of frames, producing temporally consistent deformations. For efficiency, temporal modeling is confined to a sparse set of control nodes. Each node is represented by a decoupled canonical position and a latent code, providing a stable semantic anchor for motion propagation and preventing correspondence drift under large motion. Our framework is trained end-to-end, enhanced by an input masking strategy and two multi-frame losses to improve robustness. Extensive experiments demonstrate that Mango-GS achieves state-of-the-art reconstruction quality and real-time rendering speed, enabling high-fidelity reconstruction and interactive rendering of dynamic scenes.

Entities in real-world systems often evolve over time: users shift between information consumption patterns, researchers migrate between fields, and firms transition between financial risk states. When such systems are modeled as dynamic graphs, these transitions correspond to nodes whose class labels change between consecutive snapshots, which we call shifters. Correctly classifying shifters is often more consequential than classifying stable nodes with persistent labels, as detecting such transitions enables timely intervention in high-stakes settings. Yet, we identify a systematic failure mode across all major dynamic graph neural network architectures: shifter performance consistently lags behind stable nodes, with errors concentrated on the old label. Our structural analysis traces this failure to embedding inertia: neighborhood aggregation keeps shifter representations anchored to the old-class centroid, and this effect is strongest precisely where it is hardest to correct, namely for shifters whose neighborhoods remain aligned with the old class. Guided by this finding, we propose CHASE, a model-agnostic CHange-Aware framework for Shifting nodEs that wraps any dynamic GNN with targeted components for detecting label shifts and overriding stale neighborhood signals. CHASE consistently improves shifter performance across all tested models and datasets (up to 114.9% and 202.5% improvement on accuracy and F1 score, respectively) while preserving stable-node performance. We additionally contribute three dynamic graph benchmarks with naturally shifting labels, filling a gap in existing resources. The source code is available at https://github.com/jhkim611/CHASE

Emerging Artificial Intelligence-enabled Internet-of-Things (AI-IoT) System-on-a-Chip (SoC) for augmented reality, personalized healthcare, and nano-robotics need to run many diverse tasks within a power envelope of a few tens of mW over a wide range of operating conditions: compute-intensive but strongly quantized Deep Neural Network (DNN) inference, as well as signal processing and control requiring high-precision floating-point. We present Marsellus, an all-digital heterogeneous SoC for AI-IoT end-nodes fabricated in GlobalFoundries 22nm FDX that combines 1) a general-purpose cluster of 16 RISC-V Digital Signal Processing (DSP) cores attuned for the execution of a diverse range of workloads exploiting 4-bit and 2-bit arithmetic extensions (XpulpNN), combined with fused MAC&LOAD operations and floating-point support; 2) a 2-8bit Reconfigurable Binary Engine (RBE) to accelerate 3x3 and 1x1 (pointwise) convolutions in DNNs; 3) a set of On-Chip Monitoring (OCM) blocks connected to an Adaptive Body Biasing (ABB) generator and a hardware control loop, enabling on-the-fly adaptation of transistor threshold voltages. Marsellus achieves up to 180 Gop/s or 3.32 Top/s/W on 2-bit precision arithmetic in software, and up to 637 Gop/s or 12.4 Top/s/W on hardware-accelerated DNN layers.

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due to structured relations between samples, it remains unclear how to best incorporate this structure within existing boosting pipelines. To this end, we propose a generalized framework for iterating boosting with graph propagation steps that share node/sample information across edges connecting related samples. Unlike previous efforts to integrate graph-based models with boosting, our approach is anchored in a principled meta loss function such that provable convergence can be guaranteed under relatively mild assumptions. Across a variety of non-iid graph datasets with tabular node features, our method achieves comparable or superior performance than both tabular and graph neural network models, as well as existing hybrid strategies that combine the two. Beyond producing better predictive performance than recently proposed graph models, our proposed techniques are easy to implement, computationally more efficient, and enjoy stronger theoretical guarantees (which make our results more reproducible).

Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.

Video action segmentation have been widely applied in many fields. Most previous studies employed video-based vision models for this purpose. However, they often rely on a large receptive field, LSTM or Transformer methods to capture long-term dependencies within videos, leading to significant computational resource requirements. To address this challenge, graph-based model was proposed. However, previous graph-based models are less accurate. Hence, this study introduces a graph-structured approach named Semantic2Graph, to model long-term dependencies in videos, thereby reducing computational costs and raise the accuracy. We construct a graph structure of video at the frame-level. Temporal edges are utilized to model the temporal relations and action order within videos. Additionally, we have designed positive and negative semantic edges, accompanied by corresponding edge weights, to capture both long-term and short-term semantic relationships in video actions. Node attributes encompass a rich set of multi-modal features extracted from video content, graph structures, and label text, encompassing visual, structural, and semantic cues. To synthesize this multi-modal information effectively, we employ a graph neural network (GNN) model to fuse multi-modal features for node action label classification. Experimental results demonstrate that Semantic2Graph outperforms state-of-the-art methods in terms of performance, particularly on benchmark datasets such as GTEA and 50Salads. Multiple ablation experiments further validate the effectiveness of semantic features in enhancing model performance. Notably, the inclusion of semantic edges in Semantic2Graph allows for the cost-effective capture of long-term dependencies, affirming its utility in addressing the challenges posed by computational resource constraints in video-based vision models.

We study the black-box attacks on graph neural networks (GNNs) under a novel and realistic constraint: attackers have access to only a subset of nodes in the network, and they can only attack a small number of them. A node selection step is essential under this setup. We demonstrate that the structural inductive biases of GNN models can be an effective source for this type of attacks. Specifically, by exploiting the connection between the backward propagation of GNNs and random walks, we show that the common gradient-based white-box attacks can be generalized to the black-box setting via the connection between the gradient and an importance score similar to PageRank. In practice, we find attacks based on this importance score indeed increase the classification loss by a large margin, but they fail to significantly increase the mis-classification rate. Our theoretical and empirical analyses suggest that there is a discrepancy between the loss and mis-classification rate, as the latter presents a diminishing-return pattern when the number of attacked nodes increases. Therefore, we propose a greedy procedure to correct the importance score that takes into account of the diminishing-return pattern. Experimental results show that the proposed procedure can significantly increase the mis-classification rate of common GNNs on real-world data without access to model parameters nor predictions.

Long-context capabilities are essential for large language models (LLMs) to tackle complex and long-input tasks. Despite numerous efforts made to optimize LLMs for long contexts, challenges persist in robustly processing long inputs. In this paper, we introduce GraphReader, a graph-based agent system designed to handle long texts by structuring them into a graph and employing an agent to explore this graph autonomously. Upon receiving a question, the agent first undertakes a step-by-step analysis and devises a rational plan. It then invokes a set of predefined functions to read node content and neighbors, facilitating a coarse-to-fine exploration of the graph. Throughout the exploration, the agent continuously records new insights and reflects on current circumstances to optimize the process until it has gathered sufficient information to generate an answer. Experimental results on the LV-Eval dataset reveal that GraphReader, using a 4k context window, consistently outperforms GPT-4-128k across context lengths from 16k to 256k by a large margin. Additionally, our approach demonstrates superior performance on four challenging single-hop and multi-hop benchmarks.

Thompson Sampling (TS) has attracted a lot of interest due to its good empirical performance, in particular in the computational advertising. Though successful, the tools for its performance analysis appeared only recently. In this paper, we describe and analyze SpectralTS algorithm for a bandit problem, where the payoffs of the choices are smooth given an underlying graph. In this setting, each choice is a node of a graph and the expected payoffs of the neighboring nodes are assumed to be similar. Although the setting has application both in recommender systems and advertising, the traditional algorithms would scale poorly with the number of choices. For that purpose we consider an effective dimension d, which is small in real-world graphs. We deliver the analysis showing that the regret of SpectralTS scales as d*sqrt(T ln N) with high probability, where T is the time horizon and N is the number of choices. Since a d*sqrt(T ln N) regret is comparable to the known results, SpectralTS offers a computationally more efficient alternative. We also show that our algorithm is competitive on both synthetic and real-world data.

Multi-agent language systems can exhibit a failure mode where a shared dominant context progressively absorbs individual semantics, yielding near-uniform behavior across agents. We study this effect under the name Asymptotic Semantic Collapse in Hierarchical Optimization. In a closed linguistic setting with a Dominant Anchor Node whose semantic state has effectively infinite inertia, we show that repeated interactions with Peripheral Agent Nodes drive an asymptotic alignment that minimizes a global loss. We model semantic states as points on a Riemannian manifold and analyze the induced projection dynamics. Two consequences follow. First, the limiting semantic configuration is insensitive to the optimization history: both smooth gradient-style updates and stochastic noisy updates converge to the same topological endpoint, establishing path independence at convergence. Second, the degree of context dependence controls information content: moving from atomic (independent) representations to fully entangled (context-bound) representations forces the node entropy, interpreted as available degrees of freedom, to vanish in the limit. The theory connects information-theoretic quantities with differential-geometric structure and suggests an interpretation as an immutable consensus rule that constrains agents to a shared semantic grammar. A lightweight dataset-free benchmark on an RWKV-7 13B GGUF checkpoint complements the analysis, reporting zero hash collisions, mean compliance of 0.50 under greedy decoding and 0.531 under stochastic decoding, and final Jaccard-to-anchor similarity values of 0.295 and 0.224, respectively.

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain knowledge. In this paper, we propose a Graph Neural Architecture Search method (GraphNAS for short) that enables automatic search of the best graph neural architecture based on reinforcement learning. Specifically, GraphNAS first uses a recurrent network to generate variable-length strings that describe the architectures of graph neural networks, and then trains the recurrent network with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation data set. Extensive experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that GraphNAS can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network. On node classification tasks, GraphNAS can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy.

Link prediction is crucial for understanding complex networks but traditional Graph Neural Networks (GNNs) often rely on random negative sampling, leading to suboptimal performance. This paper introduces Fuzzy Graph Attention Networks (FGAT), a novel approach integrating fuzzy rough sets for dynamic negative sampling and enhanced node feature aggregation. Fuzzy Negative Sampling (FNS) systematically selects high-quality negative edges based on fuzzy similarities, improving training efficiency. FGAT layer incorporates fuzzy rough set principles, enabling robust and discriminative node representations. Experiments on two research collaboration networks demonstrate FGAT's superior link prediction accuracy, outperforming state-of-the-art baselines by leveraging the power of fuzzy rough sets for effective negative sampling and node feature learning.

We study a graph bandit setting where the objective of the learner is to detect the most influential node of a graph by requesting as little information from the graph as possible. One of the relevant applications for this setting is marketing in social networks, where the marketer aims at finding and taking advantage of the most influential customers. The existing approaches for bandit problems on graphs require either partial or complete knowledge of the graph. In this paper, we do not assume any knowledge of the graph, but we consider a setting where it can be gradually discovered in a sequential and active way. At each round, the learner chooses a node of the graph and the only information it receives is a stochastic set of the nodes that the chosen node is currently influencing. To address this setting, we propose BARE, a bandit strategy for which we prove a regret guarantee that scales with the detectable dimension, a problem dependent quantity that is often much smaller than the number of nodes.

Anti-money laundering (AML) regulations play a critical role in safeguarding financial systems, but bear high costs for institutions and drive financial exclusion for those on the socioeconomic and international margins. The advent of cryptocurrency has introduced an intriguing paradox: pseudonymity allows criminals to hide in plain sight, but open data gives more power to investigators and enables the crowdsourcing of forensic analysis. Meanwhile advances in learning algorithms show great promise for the AML toolkit. In this workshop tutorial, we motivate the opportunity to reconcile the cause of safety with that of financial inclusion. We contribute the Elliptic Data Set, a time series graph of over 200K Bitcoin transactions (nodes), 234K directed payment flows (edges), and 166 node features, including ones based on non-public data; to our knowledge, this is the largest labelled transaction data set publicly available in any cryptocurrency. We share results from a binary classification task predicting illicit transactions using variations of Logistic Regression (LR), Random Forest (RF), Multilayer Perceptrons (MLP), and Graph Convolutional Networks (GCN), with GCN being of special interest as an emergent new method for capturing relational information. The results show the superiority of Random Forest (RF), but also invite algorithmic work to combine the respective powers of RF and graph methods. Lastly, we consider visualization for analysis and explainability, which is difficult given the size and dynamism of real-world transaction graphs, and we offer a simple prototype capable of navigating the graph and observing model performance on illicit activity over time. With this tutorial and data set, we hope to a) invite feedback in support of our ongoing inquiry, and b) inspire others to work on this societally important challenge.

We present JAttack, a framework that enables template-based testing for compilers. Using JAttack, a developer writes a template program that describes a set of programs to be generated and given as test inputs to a compiler. Such a framework enables developers to incorporate their domain knowledge on testing compilers, giving a basic program structure that allows for exploring complex programs that can trigger sophisticated compiler optimizations. A developer writes a template program in the host language (Java) that contains holes to be filled by JAttack. Each hole, written using a domain-specific language, constructs a node within an extended abstract syntax tree (eAST). An eAST node defines the search space for the hole, i.e., a set of expressions and values. JAttack generates programs by executing templates and filling each hole by randomly choosing expressions and values (available within the search space defined by the hole). Additionally, we introduce several optimizations to reduce JAttack's generation cost. While JAttack could be used to test various compiler features, we demonstrate its capabilities in helping test just-in-time (JIT) Java compilers, whose optimizations occur at runtime after a sufficient number of executions. Using JAttack, we have found six critical bugs that were confirmed by Oracle developers. Four of them were previously unknown, including two unknown CVEs (Common Vulnerabilities and Exposures). JAttack shows the power of combining developers' domain knowledge (via templates) with random testing to detect bugs in JIT compilers.

Most existing graph neural networks (GNNs) learn node embeddings using the framework of message passing and aggregation. Such GNNs are incapable of learning relative positions between graph nodes within a graph. To empower GNNs with the awareness of node positions, some nodes are set as anchors. Then, using the distances from a node to the anchors, GNNs can infer relative positions between nodes. However, P-GNNs arbitrarily select anchors, leading to compromising position-awareness and feature extraction. To eliminate this compromise, we demonstrate that selecting evenly distributed and asymmetric anchors is essential. On the other hand, we show that choosing anchors that can aggregate embeddings of all the nodes within a graph is NP-complete. Therefore, devising efficient optimal algorithms in a deterministic approach is practically not feasible. To ensure position-awareness and bypass NP-completeness, we propose Position-Sensing Graph Neural Networks (PSGNNs), learning how to choose anchors in a back-propagatable fashion. Experiments verify the effectiveness of PSGNNs against state-of-the-art GNNs, substantially improving performance on various synthetic and real-world graph datasets while enjoying stable scalability. Specifically, PSGNNs on average boost AUC more than 14% for pairwise node classification and 18% for link prediction over the existing state-of-the-art position-aware methods. Our source code is publicly available at: https://github.com/ZhenyueQin/PSGNN.

Reinforcement learning offers the prospect of a reusable sequential decision-making mechanism for spacecraft trajectory design, motivating policy interfaces that connect learned decisions to the underlying maneuver geometry. This paper develops Reachability Analysis-Informed Reinforcement Learning (RARL) for deterministic multi-impulse interplanetary transfers, placing intermediate waypoint selection at the center of the learned decision process. Local first-order reachability maps bounded velocity perturbations into an ellipsoidal set of next-node positions, within which the policy selects its waypoint. Lambert reconstruction then determines the corresponding maneuver to reach this selected waypoint along a dynamically consistent ballistic arc, coupling learned transfer-geometry selection with classical astrodynamics. A terminal two-impulse reconstruction completes the rendezvous, supported by a linear maneuver-demand assessment used for reward shaping. Numerical studies characterize this interface on a two-body Earth-Mars benchmark. Across three independent training runs, RARL achieves a mean maneuver cost of 10.23 km/s, 1.72% above a validated local sequential convex programming reference. Training over dispersed initial states extends policy reuse across a departure family with fixed target state and transfer duration. Each of the three independently trained multi-state policies completes all 10,000 held-out Monte Carlo departures without impulse-cap violations, compared with a mean feasibility rate of 6.49% for single-state policies. This broader sampled feasibility is accompanied by a 0.61% increase in mean nominal maneuver cost, without further training across departures. These results demonstrate that a reachability-informed decision interface supports benchmark-quality trajectory construction and policy reuse across dispersed departure conditions.

Influence maximization (IM) is formulated as selecting a set of initial users from a social network to maximize the expected number of influenced users. Researchers have made great progress in designing various traditional methods, and their theoretical design and performance gain are close to a limit. In the past few years, learning-based IM methods have emerged to achieve stronger generalization ability to unknown graphs than traditional ones. However, the development of learning-based IM methods is still limited by fundamental obstacles, including 1) the difficulty of effectively solving the objective function; 2) the difficulty of characterizing the diversified underlying diffusion patterns; and 3) the difficulty of adapting the solution under various node-centrality-constrained IM variants. To cope with the above challenges, we design a novel framework DeepIM to generatively characterize the latent representation of seed sets, and we propose to learn the diversified information diffusion pattern in a data-driven and end-to-end manner. Finally, we design a novel objective function to infer optimal seed sets under flexible node-centrality-based budget constraints. Extensive analyses are conducted over both synthetic and real-world datasets to demonstrate the overall performance of DeepIM. The code and data are available at: https://github.com/triplej0079/DeepIM.

Large language models (LLMs) have shown promise in simulating human-like social behaviors. Social graphs provide high-quality supervision signals that encode both local interactions and global network structure, yet they remain underutilized for LLM training. To address this gap, we propose Graphia, the first general LLM-based social graph simulation framework that leverages graph data as supervision for LLM post-training via reinforcement learning. With GNN-based structural rewards, Graphia trains specialized agents to predict whom to interact with (destination selection) and how to interact (edge generation), followed by designed graph generation pipelines. We evaluate Graphia under two settings: Transductive Dynamic Graph Generation (TDGG), a micro-level task with our proposed node-wise interaction alignment metrics; and Inductive Dynamic Graph Generation (IDGG), a macro-level task with our proposed metrics for aligning emergent network properties. On three real-world networks, Graphia improves micro-level alignment by 6.1% in the composite destination selection score, 12% in edge classification accuracy, and 27.9% in edge content BERTScore over the strongest baseline. For macro-level alignment, it achieves 41.11% higher structural similarity and 32.98% better replication of social phenomena such as power laws and echo chambers. Graphia also supports counterfactual simulation, generating plausible behavioral shifts under platform incentives. Our results show that social graphs can serve as high-quality supervision signals for LLM post-training, closing the gap between agent behaviors and network dynamics for LLM-based simulation. Code is available at https://github.com/Ji-Cather/Graphia.git.

Skill ecosystems for LLM agents have matured rapidly, yet recent benchmarks show that providing agents with more skills does not monotonically improve performance -- focused sets of 2-3 skills outperform comprehensive documentation, and excessive skills actually hurt. The bottleneck has shifted from skill availability to skill orchestration: agents need not more skills, but a structural mechanism to select, compose, and execute them with explicit causal dependencies. We propose GraSP, the first executable skill graph architecture that introduces a compilation layer between skill retrieval and execution. GraSP transforms flat skill sets into typed directed acyclic graphs (DAGs) with precondition-effect edges, executes them with node-level verification, and performs locality-bounded repair through five typed operators -- reducing replanning from O(N) to O(d^h). Across ALFWorld, ScienceWorld, WebShop, and InterCode with eight LLM backbones, GraSP outperforms ReAct, Reflexion, ExpeL, and flat skill baselines in every configuration, improving reward by up to +19 points over the strongest baseline while cutting environment steps by up to 41%. GraSP's advantage grows with task complexity and is robust to both skill over-retrieval and quality degradation, confirming that structured orchestration -- not larger skill libraries -- is the key to reliable agent execution.

Test-time scaling (TTS) boosts LLM reasoning via long chain-of-thought (CoT), but the linear KV-cache growth amplifies the memory-bound bottleneck of LLM decoding. Query-aware page-level sparse decoding can achieve state-of-the-art performance under constrained FLOPs budgets, but is limited by both sequential-dependent page filtering and coarse-grained token selection, hampering serving efficiency and model performance on TTS tasks under high concurrency and long CoT scenarios (consuming even higher runtime than the forward pipeline itself). In this paper, we first find that the current-step query state can be accurately approximated in a unified manner from a short window of recent queries, enabling training-free query-aware sparsity without waiting in the decoding loop. We propose AsyncSpade, an asynchronous framework for efficient TTS built on two core components: (1) a novel light-weight temporal-regressive module that predicts the next-token query state; (2) an asynchronous and disaggregated framework that decouples the KV cache filtering from the auto-regressive decoding loop, overlapping the token-level KV selection with the forward inference computation through asynchronism. To our knowledge, AsyncSpade is the first to eliminate the sequential dependence without sacrificing model performance. We validate the effectiveness of AsyncSpade on common LLM serving setups with an A100 node, where AsyncSpade fully overlaps KV-cache operations with the inference pipeline, achieving theoretical optimal time-per-output-token (TPOT). Specifically, AsyncSpade delivers over 20% reduction on TPOT compared to SoTA baseline (i.e. Quest) and at least 50% TPOT reduction compared to full attention on Qwen3-8B and Qwen3-32B models, while matching or surpassing their accuracy on various TTS benchmarks (AIME-24/25, GPQA-Diamond, MATH-500).

Dynamic node classification is critical for modeling evolving systems like financial transactions and academic collaborations. In such systems, dynamically capturing node information changes is critical for dynamic node classification, which usually requires all labels at every timestamp. However, it is difficult to collect all dynamic labels in real-world scenarios due to high annotation costs and label uncertainty (e.g., ambiguous or delayed labels in fraud detection). In contrast, final timestamp labels are easier to obtain as they rely on complete temporal patterns and are usually maintained as a unique label for each user in many open platforms, without tracking the history data. To bridge this gap, we propose PTCL(Pseudo-label Temporal Curriculum Learning), a pioneering method addressing label-limited dynamic node classification where only final labels are available. PTCL introduces: (1) a temporal decoupling architecture separating the backbone (learning time-aware representations) and decoder (strictly aligned with final labels), which generate pseudo-labels, and (2) a Temporal Curriculum Learning strategy that prioritizes pseudo-labels closer to the final timestamp by assigning them higher weights using an exponentially decaying function. We contribute a new academic dataset (CoOAG), capturing long-range research interest in dynamic graph. Experiments across real-world scenarios demonstrate PTCL's consistent superiority over other methods adapted to this task. Beyond methodology, we propose a unified framework FLiD (Framework for Label-Limited Dynamic Node Classification), consisting of a complete preparation workflow, training pipeline, and evaluation standards, and supporting various models and datasets. The code can be found at https://github.com/3205914485/FLiD.

Multi-step agents are trained on flat action streams: SFT and RLVR weight every token uniformly and ignore the sub-procedures that recur across tasks, the hierarchy that lets humans plan top-down from reusable routines. This structure sits unused, and flat training uses each scarce trajectory less fully than its content allows. Recent agents do use that structure, but only as LLM-written skills in context, never in the weights, so their gains do not generalize beyond retrieval. We instead recover this hierarchy from the data itself and train on it, with no LLM calls. Following text tokenizers, which build a vocabulary by counting alone, we score action spans by reusability and merge canonicalized actions into a reusable eXperience tree (X-Tree). Each X-Tree node captures how a frequent and success-bearing skill is composed from sub-skills, guiding efficient generalization. We integrate X-Tree into three training settings: offline RL, with each node as a training instance; online RLVR, with an adaptive skill bonus; and on-policy self-distillation, with X-Tree as the self-teacher's privileged context. Across WebArena, ScienceWorld, and WebShop at three model scales, X-Tree improves over standard recipes at matched data and budget by up to 4.5% SR on WebArena, 5.8% SR on ScienceWorld and 4.1% success on WebShop. Matched analyses attribute the gains to the X-Tree structure and the three integrations.

In recent years, several results in the supervised learning setting suggested that classical statistical learning-theoretic measures, such as VC dimension, do not adequately explain the performance of deep learning models which prompted a slew of work in the infinite-width and iteration regimes. However, there is little theoretical explanation for the success of neural networks beyond the supervised setting. In this paper we argue that, under some distributional assumptions, classical learning-theoretic measures can sufficiently explain generalization for graph neural networks in the transductive setting. In particular, we provide a rigorous analysis of the performance of neural networks in the context of transductive inference, specifically by analysing the generalisation properties of graph convolutional networks for the problem of node classification. While VC Dimension does result in trivial generalisation error bounds in this setting as well, we show that transductive Rademacher complexity can explain the generalisation properties of graph convolutional networks for stochastic block models. We further use the generalisation error bounds based on transductive Rademacher complexity to demonstrate the role of graph convolutions and network architectures in achieving smaller generalisation error and provide insights into when the graph structure can help in learning. The findings of this paper could re-new the interest in studying generalisation in neural networks in terms of learning-theoretic measures, albeit in specific problems.

Machine learning is increasingly used to guide branch-and-cut (B&C) for mixed-integer linear programming by learning score-based policies for selecting branching variables and cutting planes. Many approaches train on local signals from lookahead heuristics such as strong branching, and linear programming (LP) bound improvement for cut selection. Training and evaluation of the learned models often focus on local score accuracy. We show that such local score-based methods can lead to search trees exponentially larger than optimal tree sizes, by identifying two sources of this gap. The first is that these widely used expert signals can be misaligned with overall tree size. LP bound improvement can select a root cut set that yields an exponentially larger strong branching tree than selecting cuts by a simple proxy score, and strong branching itself can be exponentially suboptimal (Dey et al., 2024). The second is that small discrepancies can be amplified by the branch-and-bound recursion. An arbitrarily small perturbation of the right-hand sides in a root cut set can change the minimum tree size from a single node to exponentially many. For branching, arbitrarily small score discrepancies, and differences only in tie-breaking, can produce trees of exponentially different sizes, and even a small number of decision differences along a trajectory can incur exponential growth. These results show that branch-and-cut policies trained and learned using local expert scores do not guarantee small trees, thus motivating the study of data-driven methods that produce policies better aligned with tree size rather than only accuracy on expert scores.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Scene Graph Generation (SGG) offers a structured representation critical in many computer vision applications. Traditional SGG approaches, however, are limited by a closed-set assumption, restricting their ability to recognize only predefined object and relation categories. To overcome this, we categorize SGG scenarios into four distinct settings based on the node and edge: Closed-set SGG, Open Vocabulary (object) Detection-based SGG (OvD-SGG), Open Vocabulary Relation-based SGG (OvR-SGG), and Open Vocabulary Detection + Relation-based SGG (OvD+R-SGG). While object-centric open vocabulary SGG has been studied recently, the more challenging problem of relation-involved open-vocabulary SGG remains relatively unexplored. To fill this gap, we propose a unified framework named OvSGTR towards fully open vocabulary SGG from a holistic view. The proposed framework is an end-toend transformer architecture, which learns a visual-concept alignment for both nodes and edges, enabling the model to recognize unseen categories. For the more challenging settings of relation-involved open vocabulary SGG, the proposed approach integrates relation-aware pre-training utilizing image-caption data and retains visual-concept alignment through knowledge distillation. Comprehensive experimental results on the Visual Genome benchmark demonstrate the effectiveness and superiority of the proposed framework.

An increasing number of applications rely on complex inference tasks that are based on machine learning (ML). Currently, there are two options to run such tasks: either they are served directly by the end device (e.g., smartphones, IoT equipment, smart vehicles), or offloaded to a remote cloud. Both options may be unsatisfactory for many applications: local models may have inadequate accuracy, while the cloud may fail to meet delay constraints. In this paper, we present the novel idea of inference delivery networks (IDNs), networks of computing nodes that coordinate to satisfy ML inference requests achieving the best trade-off between latency and accuracy. IDNs bridge the dichotomy between device and cloud execution by integrating inference delivery at the various tiers of the infrastructure continuum (access, edge, regional data center, cloud). We propose a distributed dynamic policy for ML model allocation in an IDN by which each node dynamically updates its local set of inference models based on requests observed during the recent past plus limited information exchange with its neighboring nodes. Our policy offers strong performance guarantees in an adversarial setting and shows improvements over greedy heuristics with similar complexity in realistic scenarios.

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological information of a graph using persistent homology. TOGL can be easily integrated into any type of GNN and is strictly more expressive (in terms the Weisfeiler--Lehman graph isomorphism test) than message-passing GNNs. Augmenting GNNs with TOGL leads to improved predictive performance for graph and node classification tasks, both on synthetic data sets, which can be classified by humans using their topology but not by ordinary GNNs, and on real-world data.

Embodied AI agents that search for objects in large environments such as households often need to make efficient decisions by predicting object locations based on partial information. We pose this as a new type of link prediction problem: link prediction on partially observable dynamic graphs. Our graph is a representation of a scene in which rooms and objects are nodes, and their relationships are encoded in the edges; only parts of the changing graph are known to the agent at each timestep. This partial observability poses a challenge to existing link prediction approaches, which we address. We propose a novel state representation -- Scene Graph Memory (SGM) -- with captures the agent's accumulated set of observations, as well as a neural net architecture called a Node Edge Predictor (NEP) that extracts information from the SGM to search efficiently. We evaluate our method in the Dynamic House Simulator, a new benchmark that creates diverse dynamic graphs following the semantic patterns typically seen at homes, and show that NEP can be trained to predict the locations of objects in a variety of environments with diverse object movement dynamics, outperforming baselines both in terms of new scene adaptability and overall accuracy. The codebase and more can be found at https://www.scenegraphmemory.com.

Graph neural networks (GNNs) are one of the most popular approaches to using deep learning on graph-structured data, and they have shown state-of-the-art performances on a variety of tasks. However, according to a recent study, a careful choice of pooling functions, which are used for the aggregation and readout operations in GNNs, is crucial for enabling GNNs to extrapolate. Without proper choices of pooling functions, which varies across tasks, GNNs completely fail to generalize to out-of-distribution data, while the number of possible choices grows exponentially with the number of layers. In this paper, we present GNP, a L^p norm-like pooling function that is trainable end-to-end for any given task. Notably, GNP generalizes most of the widely-used pooling functions. We verify experimentally that simply using GNP for every aggregation and readout operation enables GNNs to extrapolate well on many node-level, graph-level, and set-related tasks; and GNP sometimes performs even better than the best-performing choices among existing pooling functions.

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive generative capabilities that have been used to correct corruptions in images, and the similarities between "in-painting" and filling in missing nodes and edges conditioned on the observed graph, we propose a novel graph generative framework, SGDM, which is based on subgraph diffusion. Our framework not only improves the scalability and fidelity of graph diffusion models, but also leverages the reverse process to perform novel, conditional generation tasks. In particular, through extensive empirical analysis and a set of novel metrics, we demonstrate that our proposed model effectively supports the following refinement tasks for partially observable networks: T1: denoising extraneous subgraphs, T2: expanding existing subgraphs and T3: performing "style" transfer by regenerating a particular subgraph to match the characteristics of a different node or subgraph.

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.

Within the graph learning community, conventional wisdom dictates that spectral convolutional networks may only be deployed on undirected graphs: Only there could the existence of a well-defined graph Fourier transform be guaranteed, so that information may be translated between spatial- and spectral domains. Here we show this traditional reliance on the graph Fourier transform to be superfluous and -- making use of certain advanced tools from complex analysis and spectral theory -- extend spectral convolutions to directed graphs. We provide a frequency-response interpretation of newly developed filters, investigate the influence of the basis used to express filters and discuss the interplay with characteristic operators on which networks are based. In order to thoroughly test the developed theory, we conduct experiments in real world settings, showcasing that directed spectral convolutional networks provide new state of the art results for heterophilic node classification on many datasets and -- as opposed to baselines -- may be rendered stable to resolution-scale varying topological perturbations.

Microservices architecture, known for its agility and efficiency, is an ideal framework for cloud-based software development and deployment. When integrated with containerization and orchestration systems, resource management becomes more streamlined. However, cloud computing costs remain a critical concern, necessitating effective strategies to minimize expenses without compromising performance. Cloud platforms like AWS offer transient pricing options, such as Spot Pricing, to reduce operational costs. However, unpredictable demand and abrupt termination of spot VMs introduce challenges. By leveraging containerization and intelligent orchestration, microservices deployment costs can be optimized while maintaining performance requirements. We present SpotKube, an open-source, Kubernetes-based solution that employs a genetic algorithm for cost optimization. Designed to dynamically scale clusters for microservice applications on public clouds using spot pricing, SpotKube analyzes application characteristics to recommend optimal resource allocations. This ensures cost-effective deployments without sacrificing performance. Its elastic cluster autoscaler adapts to changing demands, gracefully managing node terminations to minimize disruptions in system availability.Evaluations conducted using real-world public cloud setups demonstrate SpotKube's superior performance and cost efficiency compared to alternative optimization strategies.

Reasoning-focused LLMs improve answer quality by generating longer reasoning traces, but the additional tokens dramatically increase serving cost, motivating inference optimization. We extend and apply Puzzle, a post-training neural architecture search (NAS) framework, to gpt-oss-120B to produce gpt-oss-puzzle-88B, a deployment-optimized derivative. Our approach combines heterogeneous MoE expert pruning, selective replacement of full-context attention with window attention, FP8 KV-cache quantization with calibrated scales, and post-training reinforcement learning to recover accuracy, while maintaining low generation length. In terms of per-token speeds, on an 8XH100 node we achieve 1.63X and 1.22X throughput speedups in long-context and short-context settings, respectively. gpt-oss-puzzle-88B also delivers throughput speedups of 2.82X on a single NVIDIA H100 GPU. However, because token counts can change with reasoning effort and model variants, per-token throughput (tok/s) and latency (ms/token) do not necessarily lead to end-to-end speedups: a 2X throughput gain is erased if traces grow 2X. Conversely, throughput gains can be spent on more reasoning tokens to improve accuracy; we therefore advocate request-level efficiency metrics that normalize throughput by tokens generated and trace an accuracy--speed frontier across reasoning efforts. We show that gpt-oss-puzzle-88B improves over gpt-oss-120B along the entire frontier, delivering up to 1.29X higher request-level efficiency. Across various benchmarks, gpt-oss-puzzle-88B matches or slightly exceeds the parent on suite-average accuracy across reasoning efforts, with retention ranging from 100.8% (high) to 108.2% (low), showing that post-training architecture search can substantially reduce inference costs without sacrificing quality.

Large Language Models (LLMs) demonstrate remarkable potential in dynamic graph reasoning, but suffer from a scaling bottleneck: current models can only handle graphs with tens of nodes, constrained by exponential reasoning overhead and finite context windows. While multi-agent systems (MAS) offer collective reasoning and topology-aware orchestration, capabilities naturally suited for graph-structured tasks, their application to dynamic graphs remains unexplored. This paper presents Scaling LLM Reasoning on Dynamic Graphs via Adaptive Spatio-Temporal Multi-Agent Collaboration (AdaSTORM), a framework that reformulates large-scale dynamic graph reasoning into two stages: (i) Adaptive Partitioning, partitioning large-scale dynamic graphs into subregions that match the model's reasoning capacity while minimizing inference cost; and (ii) Collaborative Reasoning, aligning graph partition topologies with a spatio-temporal decoupled multi-agent architecture. AdaSTORM is the first multi-agent framework tailored for dynamic graph reasoning. Extensive experiments show that AdaSTORM successfully breaks through the scaling bottleneck, scaling reasoning to thousand-node graphs with over 90% accuracy across several large-scale dynamic graph settings without external tools, significantly outperforms seven competitive baselines. Furthermore, it achieves state-of-the-art accuracy on existing benchmarks and generalizes robustly to real-world datasets. The source code is available at: https://github.com/irisorchid107/AdaSTORM/.

Factorisation-based Models (FMs), such as DistMult, have enjoyed enduring success for Knowledge Graph Completion (KGC) tasks, often outperforming Graph Neural Networks (GNNs). However, unlike GNNs, FMs struggle to incorporate node features and generalise to unseen nodes in inductive settings. Our work bridges the gap between FMs and GNNs by proposing ReFactor GNNs. This new architecture draws upon both modelling paradigms, which previously were largely thought of as disjoint. Concretely, using a message-passing formalism, we show how FMs can be cast as GNNs by reformulating the gradient descent procedure as message-passing operations, which forms the basis of our ReFactor GNNs. Across a multitude of well-established KGC benchmarks, our ReFactor GNNs achieve comparable transductive performance to FMs, and state-of-the-art inductive performance while using an order of magnitude fewer parameters.

To bridge the gaps between topology-aware Graph Neural Networks (GNNs) and inference-efficient Multi-Layer Perceptron (MLPs), GLNN proposes to distill knowledge from a well-trained teacher GNN into a student MLP. Despite their great progress, comparatively little work has been done to explore the reliability of different knowledge points (nodes) in GNNs, especially their roles played during distillation. In this paper, we first quantify the knowledge reliability in GNN by measuring the invariance of their information entropy to noise perturbations, from which we observe that different knowledge points (1) show different distillation speeds (temporally); (2) are differentially distributed in the graph (spatially). To achieve reliable distillation, we propose an effective approach, namely Knowledge-inspired Reliable Distillation (KRD), that models the probability of each node being an informative and reliable knowledge point, based on which we sample a set of additional reliable knowledge points as supervision for training student MLPs. Extensive experiments show that KRD improves over the vanilla MLPs by 12.62% and outperforms its corresponding teacher GNNs by 2.16% averaged over 7 datasets and 3 GNN architectures.

We present the Temporal Graph Benchmark (TGB), a collection of challenging and diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine learning models on temporal graphs. TGB datasets are of large scale, spanning years in duration, incorporate both node and edge-level prediction tasks and cover a diverse set of domains including social, trade, transaction, and transportation networks. For both tasks, we design evaluation protocols based on realistic use-cases. We extensively benchmark each dataset and find that the performance of common models can vary drastically across datasets. In addition, on dynamic node property prediction tasks, we show that simple methods often achieve superior performance compared to existing temporal graph models. We believe that these findings open up opportunities for future research on temporal graphs. Finally, TGB provides an automated machine learning pipeline for reproducible and accessible temporal graph research, including data loading, experiment setup and performance evaluation. TGB will be maintained and updated on a regular basis and welcomes community feedback. TGB datasets, data loaders, example codes, evaluation setup, and leaderboards are publicly available at https://tgb.complexdatalab.com/.

Performance is a critical challenge in mobile image processing. Given a reference imaging pipeline, or even human-adjusted pairs of images, we seek to reproduce the enhancements and enable real-time evaluation. For this, we introduce a new neural network architecture inspired by bilateral grid processing and local affine color transforms. Using pairs of input/output images, we train a convolutional neural network to predict the coefficients of a locally-affine model in bilateral space. Our architecture learns to make local, global, and content-dependent decisions to approximate the desired image transformation. At runtime, the neural network consumes a low-resolution version of the input image, produces a set of affine transformations in bilateral space, upsamples those transformations in an edge-preserving fashion using a new slicing node, and then applies those upsampled transformations to the full-resolution image. Our algorithm processes high-resolution images on a smartphone in milliseconds, provides a real-time viewfinder at 1080p resolution, and matches the quality of state-of-the-art approximation techniques on a large class of image operators. Unlike previous work, our model is trained off-line from data and therefore does not require access to the original operator at runtime. This allows our model to learn complex, scene-dependent transformations for which no reference implementation is available, such as the photographic edits of a human retoucher.

We present OctNet, a representation for deep learning with sparse 3D data. In contrast to existing models, our representation enables 3D convolutional networks which are both deep and high resolution. Towards this goal, we exploit the sparsity in the input data to hierarchically partition the space using a set of unbalanced octrees where each leaf node stores a pooled feature representation. This allows to focus memory allocation and computation to the relevant dense regions and enables deeper networks without compromising resolution. We demonstrate the utility of our OctNet representation by analyzing the impact of resolution on several 3D tasks including 3D object classification, orientation estimation and point cloud labeling.

Recent advancements in graph diffusion models (GDMs) have enabled the synthesis of realistic network structures, yet ensuring fairness in the generated data remains a critical challenge. Existing solutions attempt to mitigate bias by re-training the GDMs with ad-hoc fairness constraints. Conversely, with this work, we propose FAROS, a novel FAir graph geneRatiOn framework leveraging attribute Switching mechanisms and directly running in the generation process of the pre-trained GDM. Technically, our approach works by altering nodes' sensitive attributes during the generation. To this end, FAROS calculates the optimal fraction of switching nodes, and selects the diffusion step to perform the switch by setting tailored multi-criteria constraints to preserve the node-topology profile from the original distribution (a proxy for accuracy) while ensuring the edge independence on the sensitive attributes for the generated graph (a proxy for fairness). Our experiments on benchmark datasets for link prediction demonstrate that the proposed approach effectively reduces fairness discrepancies while maintaining comparable (or even higher) accuracy performance to other similar baselines. Noteworthy, FAROS is also able to strike a better accuracy-fairness trade-off than other competitors in some of the tested settings under the Pareto optimality concept, demonstrating the effectiveness of the imposed multi-criteria constraints.

Recent advances in search-augmented large reasoning models (LRMs) enable the retrieval of external knowledge to reduce hallucinations in multistep reasoning. However, their ability to operate on graph-structured data, prevalent in domains such as e-commerce, social networks, and scientific citations, remains underexplored. Unlike plain text corpora, graphs encode rich topological signals that connect related entities and can serve as valuable priors for retrieval, enabling more targeted search and improved reasoning efficiency. Yet, effectively leveraging such structure poses unique challenges, including the difficulty of generating graph-expressive queries and ensuring reliable retrieval that balances structural and semantic relevance. To address this gap, we introduce GraphSearch, the first framework that extends search-augmented reasoning to graph learning, enabling zero-shot graph learning without task-specific fine-tuning. GraphSearch combines a Graph-aware Query Planner, which disentangles search space (e.g., 1-hop, multi-hop, or global neighbors) from semantic queries, with a Graph-aware Retriever, which constructs candidate sets based on topology and ranks them using a hybrid scoring function. We further instantiate two traversal modes: GraphSearch-R, which recursively expands neighborhoods hop by hop, and GraphSearch-F, which flexibly retrieves across local and global neighborhoods without hop constraints. Extensive experiments across diverse benchmarks show that GraphSearch achieves competitive or even superior performance compared to supervised graph learning methods, setting state-of-the-art results in zero-shot node classification and link prediction. These findings position GraphSearch as a flexible and generalizable paradigm for agentic reasoning over graphs.

Late payments and limited working capital propagate liquidity stress across supply chains, especially among small and medium sized enterprises. This paper develops a path enabled clearing framework for invoice backed trade networks and evaluates Byppay, a local compensation procedure based on repeated three party reductions. Unlike cycle restricted netting, which can clear only obligations embedded in directed cycles, Byppay can also reduce obligations along open chains while preserving node net positions on a combined post settlement state composed of the residual invoice graph and a generated settlement instruction layer. The paper contributes by formalizing this framework for invoice networks, defining a comparable post settlement metric system, specifying deterministic benchmark procedures, and assessing them on the same real invoice graphs. The empirical analysis uses the 2021 IMI invoice corpus of 133,191 invoices totaling EUR 19.67 billion. On the annual aggregate, the cycle restricted Netting benchmark achieves EUR 4.13 billion of debt relief, or 20.99%, whereas Byppay achieves EUR 10.60 billion, or 53.87%. In the metric system adopted here, gross obligation reduction and liquidity relief are both measured on post settlement payable mass and are therefore identical for both procedures. The results show that path enabled local compensation reaches a substantially larger reduction fixed point than a cycle restricted benchmark on the same invoice graphs, while also supporting a deployable execution logic compatible with selective disclosure and distributed coordination.

Modern reranking recipes---billion-scale cross-encoders, mixture-of-experts (MoE) backbones, and distillation against strong teachers---have outpaced the training infrastructure available to most academic groups. Existing Tevatron reranker training relies on the Hugging Face Trainer with DeepSpeed or PyTorch FSDP1, but these backends lack efficient support for large-scale MoE training. We present Tevatron 3.0, which integrates a Megatron-Core training backend into Tevatron while preserving its data pipeline, evaluation workflow, and Hugging Face-compatible checkpoints. We benchmark existing distributed training configurations against the new backend, showing that Megatron matches FSDP reranker quality and training efficiency under comparable data-parallel settings, is up to 22% faster in the recommended single-node configuration, and supports both LoRA and full-parameter fine-tuning. Crucially, expert parallelism enables training a 30B-parameter Qwen3-30B-A3B MoE reranker, which is infeasible with PyTorch FSDP1. Using this framework, we conduct a controlled comparison of MoE versus dense models, LoRA versus full-parameter tuning, and distillation versus contrastive training on BEIR-15 with three first-stage retrievers, and report serving throughput for Hugging Face and vLLM. We find that the MoE reranker matches dense 8B quality while activating less than half as many parameters and achieving substantially higher inference throughput. We will release the framework and trained checkpoints.

Flagship Mixture-of-Experts (MoE) models are growing fast along two axes at once: total parameter count and the number of experts. In elastic deployment scenarios, many GPUs across many nodes must become serving-ready quickly, and this growth makes weight loading a noticeable part of the latency budget. Even on NVIDIA's GB300 NVL72, today's state-of-the-art loaders leave most of that bandwidth unused. The losses are structural: (C1) weight memory is fragmented into tens of thousands of per-tensor objects, so transfers run far below link bandwidth; (C2) cross-node replication is gated by NCCL communicator setup, which costs 10-110 s before a single weight byte moves; and (C3) the existing cross-node GPU->GPU clone path is serial and scales poorly to concurrent multi-node bring-up. We present FlashBoot, a hardware-friendly, framework-workflow co-designed weight-loading subsystem built on SGLang. At its core is FabricArena, a contiguous, exportable and inter-node addressable tensor memory layout. On top of it, FlashLoad loads from CPU as a single bulk, zero-copy transfer, and FlashClone replicates a resident model from a remote GPU via a remote-mapping mechanism that removes NCCL setup. In experiments on NVL72 with DeepSeek-V4-Pro and DeepSeek-V4-Flash, FlashClone maps remote weight memory in ~10 ms (versus 10-110 s for NCCL) and sustains >=700 GB/s per clone. Against the state of the art, FlashBoot accelerates single-node weight loading by up to 50x (from 20.1 s to 0.4 s) and concurrent rack-level weight loading by >270x (from 87 s to 0.32 s). Our code will be made publicly available.

We introduce Habitat 2.0 (H2.0), a simulation platform for training virtual robots in interactive 3D environments and complex physics-enabled scenarios. We make comprehensive contributions to all levels of the embodied AI stack - data, simulation, and benchmark tasks. Specifically, we present: (i) ReplicaCAD: an artist-authored, annotated, reconfigurable 3D dataset of apartments (matching real spaces) with articulated objects (e.g. cabinets and drawers that can open/close); (ii) H2.0: a high-performance physics-enabled 3D simulator with speeds exceeding 25,000 simulation steps per second (850x real-time) on an 8-GPU node, representing 100x speed-ups over prior work; and, (iii) Home Assistant Benchmark (HAB): a suite of common tasks for assistive robots (tidy the house, prepare groceries, set the table) that test a range of mobile manipulation capabilities. These large-scale engineering contributions allow us to systematically compare deep reinforcement learning (RL) at scale and classical sense-plan-act (SPA) pipelines in long-horizon structured tasks, with an emphasis on generalization to new objects, receptacles, and layouts. We find that (1) flat RL policies struggle on HAB compared to hierarchical ones; (2) a hierarchy with independent skills suffers from 'hand-off problems', and (3) SPA pipelines are more brittle than RL policies.

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies. Adopting these sequence models for graph-structured data has recently gained popularity as the alternative to Message Passing Neural Networks (MPNNs). There is, however, a lack of a common foundation about what constitutes a good graph sequence model, and a mathematical description of the benefits and deficiencies in adopting different sequence models for learning on graphs. To this end, we first present Graph Sequence Model (GSM), a unifying framework for adopting sequence models for graphs, consisting of three main steps: (1) Tokenization, which translates the graph into a set of sequences; (2) Local Encoding, which encodes local neighborhoods around each node; and (3) Global Encoding, which employs a scalable sequence model to capture long-range dependencies within the sequences. This framework allows us to understand, evaluate, and compare the power of different sequence model backbones in graph tasks. Our theoretical evaluations of the representation power of Transformers and modern recurrent models through the lens of global and local graph tasks show that there are both negative and positive sides for both types of models. Building on this observation, we present GSM++, a fast hybrid model that uses the Hierarchical Affinity Clustering (HAC) algorithm to tokenize the graph into hierarchical sequences, and then employs a hybrid architecture of Transformer to encode these sequences. Our theoretical and experimental results support the design of GSM++, showing that GSM++ outperforms baselines in most benchmark evaluations.