Xiaowen Dong

Xingchen Wan, Pierre Osselin, Henry Kenlay et al. · oxford

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and do not make use of information about the function values; on the other hand, Bayesian optimisation is a class of promising black-box solvers with superior sample efficiency, but it has been scarcely been applied to such novel setups. To fill this gap, we propose a novel Bayesian optimisation framework that optimises over functions defined on generic, large-scale and potentially unknown graphs. Through the learning of suitable kernels on graphs, our framework has the advantage of adapting to the behaviour of the target function. The local modelling approach further guarantees the efficiency of our method. Extensive experiments on both synthetic and real-world graphs demonstrate the effectiveness of the proposed optimisation framework.

Dylan Sandfelder, Mihai Cucuringu, Xiaowen Dong

Real temporal interaction streams carry predictive structure in short-horizon motif patterns -- repetition, reciprocity, star diversity, triadic flow -- that vanilla temporal graph neural networks (TGNNs) often fail to expose to their edge scorers. We show this concretely on MOOC interaction prediction, where a small four-feature family of past-window star counts already delivers most of the lift over a strong static GNN. Across a wide set of real and synthetic temporal datasets we find that motif activity organizes consistently along three scale-stable axes (dyadic recency/reciprocity, star diversity, triadic flow), and we use this empirical structure to design a compact 13-coordinate, leakage-safe, candidate-local motif feature map h(u, v, t) that linearly embeds into any static or temporal encoder without architectural changes. A temporal Weisfeiler-Leman (WL) analysis places the augmentation relative to the first level of an anchored temporal-WL hierarchy and exhibits a candidate-anchored pair on which motif features distinguish. We demonstrate empirically that the same augmentation consistently lifts performance across heterogeneous tasks: TGB link-property prediction across all five baselines, edge classification on Bitcoin Alpha/OTC and MOOC, and graph-level classification of synthetic temporal generators.

Bohan Tang, Siheng Chen, Xiaowen Dong

Hypergraph structure learning, which aims to learn the hypergraph structures from the observed signals to capture the intrinsic high-order relationships among the entities, becomes crucial when a hypergraph topology is not readily available in the datasets. There are two challenges that lie at the heart of this problem: 1) how to handle the huge search space of potential hyperedges, and 2) how to define meaningful criteria to measure the relationship between the signals observed on nodes and the hypergraph structure. In this paper, for the first challenge, we adopt the assumption that the ideal hypergraph structure can be derived from a learnable graph structure that captures the pairwise relations within signals. Further, we propose a hypergraph structure learning framework HGSL with a novel dual smoothness prior that reveals a mapping between the observed node signals and the hypergraph structure, whereby each hyperedge corresponds to a subgraph with both node signal smoothness and edge signal smoothness in the learnable graph structure. Finally, we conduct extensive experiments to evaluate HGSL on both synthetic and real world datasets. Experiments show that HGSL can efficiently infer meaningful hypergraph topologies from observed signals.

Deborah Sulem, Henry Kenlay, Mihai Cucuringu et al.

Dynamic networks are ubiquitous for modelling sequential graph-structured data, e.g., brain connectome, population flows and messages exchanges. In this work, we consider dynamic networks that are temporal sequences of graph snapshots, and aim at detecting abrupt changes in their structure. This task is often termed network change-point detection and has numerous applications, such as fraud detection or physical motion monitoring. Leveraging a graph neural network model, we design a method to perform online network change-point detection that can adapt to the specific network domain and localise changes with no delay. The main novelty of our method is to use a siamese graph neural network architecture for learning a data-driven graph similarity function, which allows to effectively compare the current graph and its recent history. Importantly, our method does not require prior knowledge on the network generative distribution and is agnostic to the type of change-points; moreover, it can be applied to a large variety of networks, that include for instance edge weights and node attributes. We show on synthetic and real data that our method enjoys a number of benefits: it is able to learn an adequate graph similarity function for performing online network change-point detection in diverse types of change-point settings, and requires a shorter data history to detect changes than most existing state-of-the-art baselines.

Bohan Tang, Keyue Jiang, Laura Toni et al.

Understanding the data-generating process is essential for building machine learning models that generalise well while ensuring robustness and interpretability. This paper addresses the fundamental challenge of modelling the data generation processes on hypergraphs and explores how such models can inform the design of machine learning algorithms for hypergraph data. The key to our approach is the development of a hypergraph Markov random field that models the joint distribution of the node features and hyperedge features in a hypergraph through a multivariate Gaussian distribution whose covariance matrix is uniquely determined by the hypergraph structure. The proposed data-generating process provides a valuable inductive bias for various hypergraph machine learning tasks, thus enhancing the algorithm design. In this paper, we focus on two representative downstream tasks: structure inference and node classification. Accordingly, we introduce two novel frameworks: 1) an original hypergraph structure inference framework named HGSI, and 2) a novel learning framework entitled Hypergraph-MLP for node classification on hypergraphs. Empirical evaluation of the proposed frameworks demonstrates that: 1) HGSI outperforms existing hypergraph structure inference methods on both synthetic and real-world data; and 2) Hypergraph-MLP outperforms baselines in six hypergraph node classification benchmarks, at the same time promoting runtime efficiency and robustness against structural perturbations during inference.

Enpei Zhang, Shuo Tang, Xiaowen Dong et al.

Multi-agent learning has gained increasing attention to tackle distributed machine learning scenarios under constrictions of data exchanging. However, existing multi-agent learning models usually consider data fusion under fixed and compulsory collaborative relations among agents, which is not as flexible and autonomous as human collaboration. To fill this gap, we propose a distributed multi-agent learning model inspired by human collaboration, in which the agents can autonomously detect suitable collaborators and refer to collaborators' model for better performance. To implement such adaptive collaboration, we use a collaboration graph to indicate the pairwise collaborative relation. The collaboration graph can be obtained by graph learning techniques based on model similarity between different agents. Since model similarity can not be formulated by a fixed graphical optimization, we design a graph learning network by unrolling, which can learn underlying similar features among potential collaborators. By testing on both regression and classification tasks, we validate that our proposed collaboration model can figure out accurate collaborative relationship and greatly improve agents' learning performance.

Emanuele Rossi, Federico Monti, Yan Leng et al.

Strategic interactions between a group of individuals or organisations can be modelled as games played on networks, where a player's payoff depends not only on their actions but also on those of their neighbours. Inferring the network structure from observed game outcomes (equilibrium actions) is an important problem with numerous potential applications in economics and social sciences. Existing methods mostly require the knowledge of the utility function associated with the game, which is often unrealistic to obtain in real-world scenarios. We adopt a transformer-like architecture which correctly accounts for the symmetries of the problem and learns a mapping from the equilibrium actions to the network structure of the game without explicit knowledge of the utility function. We test our method on three different types of network games using both synthetic and real-world data, and demonstrate its effectiveness in network structure inference and superior performance over existing methods.

Xingyue Pu, Stephen Roberts, Xiaowen Dong et al.

We investigate the concept of network momentum, a novel trading signal derived from momentum spillover across assets. Initially observed within the confines of pairwise economic and fundamental ties, such as the stock-bond connection of the same company and stocks linked through supply-demand chains, momentum spillover implies a propagation of momentum risk premium from one asset to another. The similarity of momentum risk premium, exemplified by co-movement patterns, has been spotted across multiple asset classes including commodities, equities, bonds and currencies. However, studying the network effect of momentum spillover across these classes has been challenging due to a lack of readily available common characteristics or economic ties beyond the company level. In this paper, we explore the interconnections of momentum features across a diverse range of 64 continuous future contracts spanning these four classes. We utilise a linear and interpretable graph learning model with minimal assumptions to reveal the intricacies of the momentum spillover network. By leveraging the learned networks, we construct a network momentum strategy that exhibits a Sharpe ratio of 1.5 and an annual return of 22%, after volatility scaling, from 2000 to 2022. This paper pioneers the examination of momentum spillover across multiple asset classes using only pricing data, presents a multi-asset investment strategy based on network momentum, and underscores the effectiveness of this strategy through robust empirical analysis.

Chao Zhang, Xingyue Pu, Mihai Cucuringu et al.

We present a novel methodology for modeling and forecasting multivariate realized volatilities using customized graph neural networks to incorporate spillover effects across stocks. The proposed model offers the benefits of incorporating spillover effects from multi-hop neighbors, capturing nonlinear relationships, and flexible training with different loss functions. Our empirical findings provide compelling evidence that incorporating spillover effects from multi-hop neighbors alone does not yield a clear advantage in terms of predictive accuracy. However, modeling nonlinear spillover effects enhances the forecasting accuracy of realized volatilities, particularly for short-term horizons of up to one week. Moreover, our results consistently indicate that training with the Quasi-likelihood loss leads to substantial improvements in model performance compared to the commonly-used mean squared error. A comprehensive series of empirical evaluations in alternative settings confirm the robustness of our results.

Xingyue Pu, Stefan Zohren, Stephen Roberts et al.

Network momentum provides a novel type of risk premium, which exploits the interconnections among assets in a financial network to predict future returns. However, the current process of constructing financial networks relies heavily on expensive databases and financial expertise, limiting accessibility for small-sized and academic institutions. Furthermore, the traditional approach treats network construction and portfolio optimisation as separate tasks, potentially hindering optimal portfolio performance. To address these challenges, we propose L2GMOM, an end-to-end machine learning framework that simultaneously learns financial networks and optimises trading signals for network momentum strategies. The model of L2GMOM is a neural network with a highly interpretable forward propagation architecture, which is derived from algorithm unrolling. The L2GMOM is flexible and can be trained with diverse loss functions for portfolio performance, e.g. the negative Sharpe ratio. Backtesting on 64 continuous future contracts demonstrates a significant improvement in portfolio profitability and risk control, with a Sharpe ratio of 1.74 across a 20-year period.

Felix L. Opolka, Yin-Cong Zhi, Pietro Liò et al.

Graph classification aims to categorise graphs based on their structure and node attributes. In this work, we propose to tackle this task using tools from graph signal processing by deriving spectral features, which we then use to design two variants of Gaussian process models for graph classification. The first variant uses spectral features based on the distribution of energy of a node feature signal over the spectrum of the graph. We show that even such a simple approach, having no learned parameters, can yield competitive performance compared to strong neural network and graph kernel baselines. A second, more sophisticated variant is designed to capture multi-scale and localised patterns in the graph by learning spectral graph wavelet filters, obtaining improved performance on synthetic and real-world data sets. Finally, we show that both models produce well calibrated uncertainty estimates, enabling reliable decision making based on the model predictions.

Pierre Osselin, Henry Kenlay, Xiaowen Dong

Certifying the robustness of a graph-based machine learning model poses a critical challenge for safety. Current robustness certificates for graph classifiers guarantee output invariance with respect to the total number of node pair flips (edge addition or edge deletion), which amounts to an $l_{0}$ ball centred on the adjacency matrix. Although theoretically attractive, this type of isotropic structural noise can be too restrictive in practical scenarios where some node pairs are more critical than others in determining the classifier's output. The certificate, in this case, gives a pessimistic depiction of the robustness of the graph model. To tackle this issue, we develop a randomised smoothing method based on adding an anisotropic noise distribution to the input graph structure. We show that our process generates structural-aware certificates for our classifiers, whereby the magnitude of robustness certificates can vary across different pre-defined structures of the graph. We demonstrate the benefits of these certificates in both synthetic and real-world experiments.

Hugh Blayney, Álvaro Arroyo, Johan Obando-Ceron et al.

Reasoning has become a central capability in large language models. Recent research has shown that reasoning performance can be improved by looping an LLM's layers in the latent dimension, resulting in looped reasoning language models. Despite promising results, few works have investigated how their internal dynamics differ from those of standard feedforward models. In this paper, we conduct a mechanistic analysis of the latent states in looped language models, focusing in particular on how the stages of inference observed in feedforward models compare to those observed in looped ones. To this end, we analyze cyclic recurrence and show that for many of the studied models each layer in the cycle converges to a distinct fixed point; consequently, the recurrent block follows a consistent cyclic trajectory in the latent space. We provide evidence that as these fixed points are reached, attention-head behavior stabilizes, leading to constant behavior across recurrences. Empirically, we discover that recurrent blocks learn stages of inference that closely mirror those of feedforward models, repeating these stages in depth with each iteration. We study how recurrent block size, input injection, and normalization influence the emergence and stability of these cyclic fixed points. We believe these findings help translate mechanistic insights into practical guidance for architectural design.

Haitz Sáez de Ocáriz Borde, Anastasis Kratsios, Marc T. Law et al. · eth-zurich

We propose a class of trainable deep learning-based geometries called Neural Spacetimes (NSTs), which can universally represent nodes in weighted directed acyclic graphs (DAGs) as events in a spacetime manifold. While most works in the literature focus on undirected graph representation learning or causality embedding separately, our differentiable geometry can encode both graph edge weights in its spatial dimensions and causality in the form of edge directionality in its temporal dimensions. We use a product manifold that combines a quasi-metric (for space) and a partial order (for time). NSTs are implemented as three neural networks trained in an end-to-end manner: an embedding network, which learns to optimize the location of nodes as events in the spacetime manifold, and two other networks that optimize the space and time geometries in parallel, which we call a neural (quasi-)metric and a neural partial order, respectively. The latter two networks leverage recent ideas at the intersection of fractal geometry and deep learning to shape the geometry of the representation space in a data-driven fashion, unlike other works in the literature that use fixed spacetime manifolds such as Minkowski space or De Sitter space to embed DAGs. Our main theoretical guarantee is a universal embedding theorem, showing that any $k$-point DAG can be embedded into an NST with $1+\mathcal{O}(\log(k))$ distortion while exactly preserving its causal structure. The total number of parameters defining the NST is sub-cubic in $k$ and linear in the width of the DAG. If the DAG has a planar Hasse diagram, this is improved to $\mathcal{O}(\log(k)) + 2)$ spatial and 2 temporal dimensions. We validate our framework computationally with synthetic weighted DAGs and real-world network embeddings; in both cases, the NSTs achieve lower embedding distortions than their counterparts using fixed spacetime geometries.

Yin-Cong Zhi, Felix L. Opolka, Yin Cheng Ng et al.

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization framework by treating the graph and feature data as two Hilbert spaces. We also show how numerous kernel-based models on graphs are instances of our design. A kernel defined this way has transductive properties, and this leads to improved ability to learn on fewer training points, as well as better handling of highly non-Euclidean data. We demonstrate these advantages using synthetic data where the distribution of the whole graph can inform the pattern of the labels. Finally, by utilizing a flexible polynomial of the graph Laplacian within the kernel, the model also performed effectively in semi-supervised classification on graphs of various levels of homophily.

Haitz Saez de Ocariz Borde, Alvaro Arroyo, Ismael Morales et al.

Recent research indicates that the performance of machine learning models can be improved by aligning the geometry of the latent space with the underlying data structure. Rather than relying solely on Euclidean space, researchers have proposed using hyperbolic and spherical spaces with constant curvature, or combinations thereof, to better model the latent space and enhance model performance. However, little attention has been given to the problem of automatically identifying the optimal latent geometry for the downstream task. We mathematically define this novel formulation and coin it as neural latent geometry search (NLGS). More specifically, we introduce an initial attempt to search for a latent geometry composed of a product of constant curvature model spaces with a small number of query evaluations, under some simplifying assumptions. To accomplish this, we propose a novel notion of distance between candidate latent geometries based on the Gromov-Hausdorff distance from metric geometry. In order to compute the Gromov-Hausdorff distance, we introduce a mapping function that enables the comparison of different manifolds by embedding them in a common high-dimensional ambient space. We then design a graph search space based on the notion of smoothness between latent geometries and employ the calculated distances as an additional inductive bias. Finally, we use Bayesian optimization to search for the optimal latent geometry in a query-efficient manner. This is a general method which can be applied to search for the optimal latent geometry for a variety of models and downstream tasks. We perform experiments on synthetic and real-world datasets to identify the optimal latent geometry for multiple machine learning problems.

Yuanshuo Zhang, Yuchen Hou, Bohan Tang et al.

Agentic workflows invoked by Large Language Models (LLMs) have achieved remarkable success in handling complex tasks. However, optimizing such workflows is costly and inefficient in real-world applications due to extensive invocations of LLMs. To fill this gap, this position paper formulates agentic workflows as computational graphs and advocates Graph Neural Networks (GNNs) as efficient predictors of agentic workflow performances, avoiding repeated LLM invocations for evaluation. To empirically ground this position, we construct FLORA-Bench, a unified platform for benchmarking GNNs for predicting agentic workflow performances. With extensive experiments, we arrive at the following conclusion: GNNs are simple yet effective predictors. This conclusion supports new applications of GNNs and a novel direction towards automating agentic workflow optimization. All codes, models, and data are available at https://github.com/youngsoul0731/Flora-Bench.

Dylan Sandfelder, Mihai Cucuringu, Xiaowen Dong

We introduce Adaptive Spectral Shaping, a data-driven framework for graph filtering that learns a reusable baseline spectral kernel and modulates it with a small set of Gaussian factors. The resulting multi-peak, multi-scale responses allocate energy to heterogeneous regions of the Laplacian spectrum while remaining interpretable via explicit centers and bandwidths. To scale, we implement filters with Chebyshev polynomial expansions, avoiding eigendecompositions. We further propose Transferable Adaptive Spectral Shaping (TASS): the baseline kernel is learned on source graphs and, on a target graph, kept fixed while only the shaping parameters are adapted, enabling few-shot transfer under matched compute. Across controlled synthetic benchmarks spanning graph families and signal regimes, Adaptive Spectral Shaping reduces reconstruction error relative to fixed-prototype wavelets and learned linear banks, and TASS yields consistent positive transfer. The framework provides compact spectral modules that plug into graph signal processing pipelines and graph neural networks, combining scalability, interpretability, and cross-graph generalization.

Jonas De Schouwer, Haitz Sáez de Ocáriz Borde, Xiaowen Dong

Graph transformers have shown promise in overcoming limitations of traditional graph neural networks, such as oversquashing and difficulties in modelling long-range dependencies. However, their application to large-scale graphs is hindered by the quadratic memory and computational complexity of the all-to-all attention mechanism. Although alternatives such as linearized attention and restricted attention patterns have been proposed, these often degrade performance or limit expressive power. To better balance efficiency and effectiveness, we introduce k-Maximum Inner Product (k-MIP) attention for graph transformers. k-MIP attention selects the most relevant key nodes per query via a top-k operation, yielding a sparse yet flexible attention pattern. Combined with an attention score computation based on symbolic matrices, this results in linear memory complexity and practical speedups of up to an order of magnitude compared to all-to-all attention, enabling the processing of graphs with over 500k nodes on a single A100 GPU. We provide a theoretical analysis of expressive power, showing that k-MIP attention does not compromise the expressiveness of graph transformers: specifically, we prove that k-MIP transformers can approximate any full-attention transformer to arbitrary precision. In addition, we analyze the expressive power of the GraphGPS framework, in which we integrate our attention mechanism, and establish an upper bound on its graph distinguishing capability in terms of the S-SEG-WL test. Finally, we validate our approach on the Long Range Graph Benchmark, the City-Networks benchmark, and two custom large-scale inductive point cloud datasets, consistently ranking among the top-performing scalable graph transformers.

Benjamin Gutteridge, Michael Bronstein, Xiaowen Dong

Graph foundation models (GFMs) have recently attracted interest due to the promise of graph neural network (GNN) architectures that generalize zero-shot across graphs of arbitrary scales, feature dimensions, and domains. While existing work has demonstrated this ability empirically across diverse real-world benchmarks, these tasks share a crucial hidden limitation: they admit a narrow set of effective GNN architectures. In particular, current domain-agnostic GFMs rely on fixed architectural backbones, implicitly assuming that a single message-passing regime suffices across tasks. In this paper, we argue that architecture adaptivity is a necessary requirement for true GFMs. We show that existing approaches are non-robust to task-dependent architectural attributes and, as a case study, use range as a minimal and measurable axis along which this limitation becomes explicit. With theoretical analysis and controlled synthetic experiments, we demonstrate that fixed-backbone GFMs provably under-reach on tasks whose architectural requirements differ from those seen at training time. To address this issue, we introduce a framework that adapts effective GNN architecture at inference time by discovering and mixing task-specific linear graph operators, enabling zero-shot generalization across tasks with heterogeneous architectural requirements, without retraining. We validate our approach on arbitrary-range synthetic tasks and a suite of real-world benchmarks, demonstrating improved performance and robustness over existing domain-agnostic GFMs.

Shuo Tang, Rui Ye, Chenxin Xu et al.

Decentralized and lifelong-adaptive multi-agent collaborative learning aims to enhance collaboration among multiple agents without a central server, with each agent solving varied tasks over time. To achieve efficient collaboration, agents should: i) autonomously identify beneficial collaborative relationships in a decentralized manner; and ii) adapt to dynamically changing task observations. In this paper, we propose DeLAMA, a decentralized multi-agent lifelong collaborative learning algorithm with dynamic collaboration graphs. To promote autonomous collaboration relationship learning, we propose a decentralized graph structure learning algorithm, eliminating the need for external priors. To facilitate adaptation to dynamic tasks, we design a memory unit to capture the agents' accumulated learning history and knowledge, while preserving finite storage consumption. To further augment the system's expressive capabilities and computational efficiency, we apply algorithm unrolling, leveraging the advantages of both mathematical optimization and neural networks. This allows the agents to `learn to collaborate' through the supervision of training tasks. Our theoretical analysis verifies that inter-agent collaboration is communication efficient under a small number of communication rounds. The experimental results verify its ability to facilitate the discovery of collaboration strategies and adaptation to dynamic learning scenarios, achieving a 98.80% reduction in MSE and a 188.87% improvement in classification accuracy. We expect our work can serve as a foundational technique to facilitate future works towards an intelligent, decentralized, and dynamic multi-agent system. Code is available at https://github.com/ShuoTang123/DeLAMA.

Zhijin Guo, Li Zhang, Tyler Bonnet et al.

Polarization in online communities is often studied through either language or interaction structure, but the two views are rarely connected in a unified measurement pipeline. Prior work links them by building interaction graphs from human judgments of agreement and disagreement, leaving a gap between language as observed text and structure as an engineered representation of that text. We address this gap with a language-grounded signed-network pipeline that derives continuous signed edge weights from LLM stance scores and quantifies structural polarization using two complementary measures: a spectral Eigen-Sign score and a partition-based frustration score. After normalization, the two measures show substantial agreement while retaining important differences in their sensitivity to edge magnitude. Applying the framework to Reddit Brexit discussions, we analyze how window-level discourse signals, including toxicity, extreme scalar claims, and perplexity, relate to temporal variation in structural polarization. Edge-level and ablation analyses show that continuous, confidence-weighted signed edges reveal intensity-sensitive patterns that are muted under sign-only representations. We further report an exploratory one-step-ahead forecasting analysis suggesting that lagged language signals may contain information about future polarization beyond structural persistence. Together, the results demonstrate how discourse and signed-network structure can be connected in a single framework for measuring and interpreting polarization dynamics over time.

Haitz Saez de Ocariz Borde, Alvaro Arroyo, Ismael Morales et al.

Recent studies propose enhancing machine learning models by aligning the geometric characteristics of the latent space with the underlying data structure. Instead of relying solely on Euclidean space, researchers have suggested using hyperbolic and spherical spaces with constant curvature, or their combinations (known as product manifolds), to improve model performance. However, there exists no principled technique to determine the best latent product manifold signature, which refers to the choice and dimensionality of manifold components. To address this, we introduce a novel notion of distance between candidate latent geometries using the Gromov-Hausdorff distance from metric geometry. We propose using a graph search space that uses the estimated Gromov-Hausdorff distances to search for the optimal latent geometry. In this work we focus on providing a description of an algorithm to compute the Gromov-Hausdorff distance between model spaces and its computational implementation.

Jing Liu, Maria Grith, Xiaowen Dong et al.

This paper studies cross-market return predictability through a machine learning framework that preserves economic structure. Exploiting the non-overlapping trading hours of the U.S. and Chinese equity markets, we construct a directed bipartite graph that captures time-ordered predictive linkages between stocks across markets. Edges are selected via rolling-window hypothesis testing, and the resulting graph serves as a sparse, economically interpretable feature-selection layer for downstream machine learning models. We apply a range of regularized and ensemble methods to forecast open-to-close returns using lagged foreign-market information. Our results reveal a pronounced directional asymmetry: U.S. previous-close-to-close returns contain substantial predictive information for Chinese intraday returns, whereas the reverse effect is limited. This informational asymmetry translates into economically meaningful performance differences and highlights how structured machine learning frameworks can uncover cross-market dependencies while maintaining interpretability.

Nagham Osman, Keyue Jiang, Davide Buffelli et al.

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph at once. In this work, we provide an analysis of these two paradigms and reveal a key trade-off: autoregressive models stand out in capturing fine-grained local structures, such as degree and clustering properties, whereas one-shot models excel at modeling global patterns, such as spectral distributions. Building on this, we propose LGDC (latent graph diffusion via spectrum-preserving coarsening), a hybrid framework that combines strengths of both approaches. LGDC employs a spectrum-preserving coarsening-decoarsening to bidirectionally map between graphs and a latent space, where diffusion efficiently generates latent graphs before expansion restores detail. This design captures both local and global properties with improved efficiency. Empirically, LGDC matches autoregressive models on locally structured datasets (Tree) and diffusion models on globally structured ones (Planar, Community-20), validating the benefits of hybrid generation.

Álvaro Arroyo, Alessio Gravina, Benjamin Gutteridge et al.

Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the over-smoothing and over-squashing phenomena, which result in representational collapse as the number of layers increases and insensitivity to the information contained at distant and poorly connected nodes, respectively. In this paper, we present a unified view of these problems through the lens of vanishing gradients, using ideas from linear control theory for our analysis. We propose an interpretation of GNNs as recurrent models and empirically demonstrate that a simple state-space formulation of a GNN effectively alleviates over-smoothing and over-squashing at no extra trainable parameter cost. Further, we show theoretically and empirically that (i) GNNs are by design prone to extreme gradient vanishing even after a few layers; (ii) Over-smoothing is directly related to the mechanism causing vanishing gradients; (iii) Over-squashing is most easily alleviated by a combination of graph rewiring and vanishing gradient mitigation. We believe our work will help bridge the gap between the recurrent and graph neural network literature and will unlock the design of new deep and performant GNNs.

Rui Ye, Xianghe Pang, Jingyi Chai et al.

Scholarly peer review is a cornerstone of scientific advancement, but the system is under strain due to increasing manuscript submissions and the labor-intensive nature of the process. Recent advancements in large language models (LLMs) have led to their integration into peer review, with promising results such as substantial overlaps between LLM- and human-generated reviews. However, the unchecked adoption of LLMs poses significant risks to the integrity of the peer review system. In this study, we comprehensively analyze the vulnerabilities of LLM-generated reviews by focusing on manipulation and inherent flaws. Our experiments show that injecting covert deliberate content into manuscripts allows authors to explicitly manipulate LLM reviews, leading to inflated ratings and reduced alignment with human reviews. In a simulation, we find that manipulating 5% of the reviews could potentially cause 12% of the papers to lose their position in the top 30% rankings. Implicit manipulation, where authors strategically highlight minor limitations in their papers, further demonstrates LLMs' susceptibility compared to human reviewers, with a 4.5 times higher consistency with disclosed limitations. Additionally, LLMs exhibit inherent flaws, such as potentially assigning higher ratings to incomplete papers compared to full papers and favoring well-known authors in single-blind review process. These findings highlight the risks of over-reliance on LLMs in peer review, underscoring that we are not yet ready for widespread adoption and emphasizing the need for robust safeguards.

Shuo Tang, Xianghe Pang, Zexi Liu et al.

Post-training is essential for enabling large language models (LLMs) to follow human instructions. However, its effectiveness depends on high-quality instruction data, which is challenging to obtain in the real world due to privacy concerns, data scarcity, and high annotation costs. To fill this gap, inspired by the recent success of using LLMs to simulate human society, we propose MATRIX, a multi-agent simulator that automatically generates diverse text-based scenarios, capturing a wide range of real-world human needs in a realistic and scalable manner. Leveraging these outputs, we introduce a novel scenario-driven instruction generator MATRIX-Gen for controllable and highly realistic data synthesis. Extensive experiments demonstrate that our framework effectively generates both general and domain-specific data. On AlpacaEval 2 and Arena-Hard benchmarks, Llama-3-8B-Base, post-trained on datasets synthesized by MATRIX-Gen with just 20K instruction-response pairs, outperforms Meta's Llama-3-8B-Instruct model, which was trained on over 10M pairs.

Bohan Tang, Siheng Chen, Xiaowen Dong

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph structures to enhance node representation learning, yielding impressive performances in tasks like hypergraph node classification. However, these message-passing-based models face several challenges, including oversmoothing as well as high latency and sensitivity to structural perturbations at inference time. To tackle those challenges, we propose an alternative approach where we integrate the information about hypergraph structures into training supervision without explicit message passing, thus also removing the reliance on it at inference. Specifically, we introduce Hypergraph-MLP, a novel learning framework for hypergraph-structured data, where the learning model is a straightforward multilayer perceptron (MLP) supervised by a loss function based on a notion of signal smoothness on hypergraphs. Experiments on hypergraph node classification tasks demonstrate that Hypergraph-MLP achieves competitive performance compared to existing baselines, and is considerably faster and more robust against structural perturbations at inference.

Zexi Liu, Bohan Tang, Ziyuan Ye et al.

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering remarkable performance across various tasks, e.g., hypergraph node classification. However, these models struggle to capture global structural information due to their reliance on local message passing. To address this challenge, we propose a novel hypergraph learning framework, HyperGraph Transformer (HyperGT). HyperGT uses a Transformer-based neural network architecture to effectively consider global correlations among all nodes and hyperedges. To incorporate local structural information, HyperGT has two distinct designs: i) a positional encoding based on the hypergraph incidence matrix, offering valuable insights into node-node and hyperedge-hyperedge interactions; and ii) a hypergraph structure regularization in the loss function, capturing connectivities between nodes and hyperedges. Through these designs, HyperGT achieves comprehensive hypergraph representation learning by effectively incorporating global interactions while preserving local connectivity patterns. Extensive experiments conducted on real-world hypergraph node classification tasks showcase that HyperGT consistently outperforms existing methods, establishing new state-of-the-art benchmarks. Ablation studies affirm the effectiveness of the individual designs of our model.

Jacob Bamberger, Federico Barbero, Xiaowen Dong et al.

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited node-level expressivity. To address these limitations we propose Bundle Neural Networks (BuNN), a new type of GNN that operates via message diffusion over flat vector bundles - structures analogous to connections on Riemannian manifolds that augment the graph by assigning to each node a vector space and an orthogonal map. A BuNN layer evolves the features according to a diffusion-type partial differential equation. When discretized, BuNNs are a special case of Sheaf Neural Networks (SNNs), a recently proposed MPNN capable of mitigating over-smoothing. The continuous nature of message diffusion enables BuNNs to operate on larger scales of the graph and, therefore, to mitigate over-squashing. Finally, we prove that BuNN can approximate any feature transformation over nodes on any (potentially infinite) family of graphs given injective positional encodings, resulting in universal node-level expressivity. We support our theory via synthetic experiments and showcase the strong empirical performance of BuNNs over a range of real-world tasks, achieving state-of-the-art results on several standard benchmarks in transductive and inductive settings.

Fernando Moreno-Pino, Álvaro Arroyo, Harrison Waldon et al.

Time-series data in real-world medical settings typically exhibit long-range dependencies and are observed at non-uniform intervals. In such contexts, traditional sequence-based recurrent models struggle. To overcome this, researchers replace recurrent architectures with Neural ODE-based models to model irregularly sampled data and use Transformer-based architectures to account for long-range dependencies. Despite the success of these two approaches, both incur very high computational costs for input sequences of moderate lengths and greater. To mitigate this, we introduce the Rough Transformer, a variation of the Transformer model which operates on continuous-time representations of input sequences and incurs significantly reduced computational costs, critical for addressing long-range dependencies common in medical contexts. In particular, we propose multi-view signature attention, which uses path signatures to augment vanilla attention and to capture both local and global dependencies in input data, while remaining robust to changes in the sequence length and sampling frequency. We find that Rough Transformers consistently outperform their vanilla attention counterparts while obtaining the benefits of Neural ODE-based models using a fraction of the computational time and memory resources on synthetic and real-world time-series tasks.

Marco Pacini, Xiaowen Dong, Bruno Lepri et al.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Huidong Liang, Haitz Sáez de Ocáriz Borde, Baskaran Sripathmanathan et al.

Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations primarily compare models employing global attention (e.g., graph transformers) with those using local neighborhood aggregation (e.g., message-passing neural networks) without a direct measurement of long-range dependency. In this work, we introduce City-Networks, a novel large-scale transductive learning dataset derived from real-world city road networks. This dataset features graphs with over 100k nodes and significantly larger diameters than those in existing benchmarks, naturally embodying long-range information. We annotate the graphs based on local node eccentricities, ensuring that the classification task inherently requires information from distant nodes. Furthermore, we propose a model-agnostic measurement based on the Jacobians of neighbors from distant hops, offering a principled quantification of long-range dependencies. Finally, we provide theoretical justifications for both our dataset design and the proposed measurement-particularly by focusing on over-smoothing and influence score dilution-which establishes a robust foundation for further exploration of long-range interactions in graph neural networks.

Haitz Sáez de Ocáriz Borde, Artem Lukoianov, Anastasis Kratsios et al.

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce high-performing deep message-passing-based Graph Neural Networks (GNNs). This modification yields results competitive with the state-of-the-art in large graph transductive learning, particularly outperforming the best Graph Transformers in the literature, without requiring the otherwise computationally and memory-expensive attention mechanism. Our architecture not only scales to large graphs but also makes it possible to construct deep message-passing networks, unlike simple GNNs, which have traditionally been constrained to shallow architectures due to oversmoothing. Moreover, we provide a new theoretical analysis of oversmoothing based on universal approximation which we use to motivate SMPNNs. We show that in the context of graph convolutions, residual connections are necessary for maintaining the universal approximation properties of downstream learners and that removing them can lead to a loss of universality.

Ali Hariri, Álvaro Arroyo, Alessio Gravina et al.

ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dependencies between nodes. This has led researchers to adapt MPNNs through rewiring or make use of Graph Transformers, which compromises the computational efficiency that characterized early spatial message-passing architectures, and typically disregards the graph structure. Almost a decade after its original introduction, we revisit ChebNet to shed light on its ability to model distant node interactions. We find that out-of-box, ChebNet already shows competitive advantages relative to classical MPNNs and GTs on long-range benchmarks, while maintaining good scalability properties for high-order polynomials. However, we uncover that this polynomial expansion leads ChebNet to an unstable regime during training. To address this limitation, we cast ChebNet as a stable and non-dissipative dynamical system, which we coin Stable-ChebNet. Our Stable-ChebNet model allows for stable information propagation, and has controllable dynamics which do not require the use of eigendecompositions, positional encodings, or graph rewiring. Across several benchmarks, Stable-ChebNet achieves near state-of-the-art performance.

Mathieu Alain, So Takao, Xiaowen Dong et al.

The problem of classifying graphs is ubiquitous in machine learning. While it is standard to apply graph neural networks or graph kernel methods, Gaussian processes can be employed by transforming spatial features from the graph domain into spectral features in the Euclidean domain, and using them as the input points of classical kernels. However, this approach currently only takes into account features on vertices, whereas some graph datasets also support features on edges. In this work, we present a Gaussian process-based classification algorithm that can leverage one or both vertex and edges features. Furthermore, we take advantage of the Hodge decomposition to better capture the intricate richness of vertex and edge features, which can be beneficial on diverse tasks.

Bohan Tang, Zexi Liu, Keyue Jiang et al.

Hypergraphs are crucial for modelling higher-order interactions in real-world data. Hypergraph neural networks (HNNs) effectively utilise these structures by message passing to generate informative node features for various downstream tasks like node classification. However, the message passing module in existing HNNs typically requires a computationally intensive training process, which limits their practical use. To tackle this challenge, we propose an alternative approach by decoupling the usage of hypergraph structural information from the model learning stage. This leads to a novel training-free message passing module, named TF-MP-Module, which can be precomputed in the data preprocessing stage, thereby reducing the computational burden. We refer to the hypergraph neural network equipped with our TF-MP-Module as TF-HNN. We theoretically support the efficiency and effectiveness of TF-HNN by showing that: 1) It is more training-efficient compared to existing HNNs; 2) It utilises as much information as existing HNNs for node feature generation; and 3) It is robust against the oversmoothing issue while using long-range interactions. Experiments based on seven real-world hypergraph benchmarks in node classification and hyperlink prediction show that, compared to state-of-the-art HNNs, TF-HNN exhibits both competitive performance and superior training efficiency. Specifically, on the large-scale benchmark, Trivago, TF-HNN outperforms the node classification accuracy of the best baseline by 10% with just 1% of the training time of that baseline.

Keyue Jiang, Bohan Tang, Xiaowen Dong et al.

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous graphs, many real-world graphs exhibit heterogeneous patterns where nodes and edges have multiple types. This paper fills this gap by introducing the first approach for heterogeneous graph structure learning (HGSL). To this end, we first propose a novel statistical model for the data-generating process (DGP) of heterogeneous graph data, namely hidden Markov networks for heterogeneous graphs (H2MN). Then we formalize HGSL as a maximum a-posterior estimation problem parameterized by such DGP and derive an alternating optimization method to obtain a solution together with a theoretical justification of the optimization conditions. Finally, we conduct extensive experiments on both synthetic and real-world datasets to demonstrate that our proposed method excels in learning structure on heterogeneous graphs in terms of edge type identification and edge weight recovery.

Keyue Jiang, Jiahao Cui, Xiaowen Dong et al.

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between reference and data distributions. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations to build the path. This disentangled interpolation breaks the interconnected patterns of graphs, making the constructed probability path irregular and non-smooth, which causes poor training dynamics and faulty sampling convergence. To address the limitation, this paper first presents a theoretically grounded framework for probability path construction in graph generative models. Specifically, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design a smooth probability path that ensures the co-evolution of graph components. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that utilizes the derived optimal probability path to benefit the training and sampling algorithm design. Experimental evaluations in plain graph generation and molecule generation validate the effectiveness of BWFlow with competitive performance, better training convergence, and efficient sampling.

Ning Zhang, Xiaowen Dong, Mihai Cucuringu

Graph clustering is a fundamental task in unsupervised learning with broad real-world applications. While spectral clustering methods for undirected graphs are well-established and guided by a minimum cut optimization consensus, their extension to directed graphs remains relatively underexplored due to the additional complexity introduced by edge directions. In this paper, we leverage statistical inference on stochastic block models to guide the development of a spectral clustering algorithm for directed graphs. Specifically, we study the maximum likelihood estimation under a widely used directed stochastic block model, and derive a global objective function that aligns with the underlying community structure. We further establish a theoretical upper bound on the misclustering error of its spectral relaxation, and based on this relaxation, introduce a novel, self-adaptive spectral clustering method for directed graphs. Extensive experiments on synthetic and real-world datasets demonstrate significant performance gains over existing baselines.

Hugh Blayney, Álvaro Arroyo, Xiaowen Dong et al.

Graph Neural Networks (GNNs) leverage the graph structure to transmit information between nodes, typically through the message-passing mechanism. While these models have found a wide variety of applications, they are known to suffer from over-squashing, where information from a large receptive field of node representations is collapsed into a single fixed sized vector, resulting in an information bottleneck. In this paper, we re-examine the over-squashing phenomenon through the lens of model storage and retrieval capacity, which we define as the amount of information that can be stored in a node's representation for later use. We study some of the limitations of existing tasks used to measure over-squashing and introduce a new synthetic task to demonstrate that an information bottleneck can saturate this capacity. Furthermore, we adapt ideas from the sequence modeling literature on associative memories, fast weight programmers, and the xLSTM model to develop a novel GNN architecture with improved capacity. We demonstrate strong performance of this architecture both on our capacity synthetic task, as well as a range of real-world graph benchmarks.

Enrique Queipo-de-Llano, Álvaro Arroyo, Federico Barbero et al.

Attention sinks and compression valleys have attracted significant attention as two puzzling phenomena in large language models, but have been studied in isolation. In this work, we present a surprising connection between attention sinks and compression valleys, tracing both to the formation of massive activations in the residual stream. We prove theoretically that massive activations necessarily produce representational compression and establish bounds on the resulting entropy reduction. Through experiments across several models (410M-120B parameters), we confirm that when the beginning-of-sequence token develops extreme activation norms in the middle layers, both compression valleys and attention sinks emerge simultaneously. Targeted ablation studies validate our theoretical predictions. This unified view motivates us to propose the Mix-Compress-Refine theory of information flow, as an attempt to explain how LLMs organize their computation in depth by controlling attention and representational compression via massive activations. Specifically, we posit that Transformer-based LLMs process tokens in three distinct phases: (1) broad mixing in the early layers, (2) compressed computation with limited mixing in the middle layers, and (3) selective refinement in the late layers. Our framework helps explain why embedding tasks perform best at intermediate layers, whereas generation tasks benefit from full-depth processing, clarifying differences in task-dependent representations.

Bohan Tang, Huidong Liang, Keyue Jiang et al.

Large language model multi-agent systems (LLM-MAS) offer a promising paradigm for harnessing collective intelligence to achieve more advanced forms of AI behaviour. While recent studies suggest that LLM-MAS can outperform LLM single-agent systems (LLM-SAS) on certain tasks, the lack of systematic experimental designs limits the strength and generality of these conclusions. We argue that a principled understanding of task complexity, such as the degree of sequential reasoning required and the breadth of capabilities involved, is essential for assessing the effectiveness of LLM-MAS in task solving. To this end, we propose a theoretical framework characterising tasks along two dimensions: depth, representing reasoning length, and width, representing capability diversity. We theoretically examine a representative class of LLM-MAS, namely the multi-agent debate system, and empirically evaluate its performance in both discriminative and generative tasks with varying depth and width. Theoretical and empirical results show that the benefit of LLM-MAS over LLM-SAS increases with both task depth and width, and the effect is more pronounced with respect to depth. This clarifies when LLM-MAS are beneficial and provides a principled foundation for designing future LLM-MAS methods and benchmarks.

Baskaran Sripathmanathan, Xiaowen Dong, Michael Bronstein

We investigate graph signal reconstruction and sample selection for classification tasks. We present general theoretical characterisations of classification error applicable to multiple commonly used reconstruction methods, and compare that to the classical reconstruction error. We demonstrate the applicability of our results by using them to derive new optimal sampling methods for linearized graph convolutional networks, and show improvement over other graph signal processing based methods.

Pierre Osselin, Masaki Adachi, Xiaowen Dong et al.

Zeroth-order local optimisation algorithms are essential for solving real-valued black-box optimisation problems. Among these, Natural Evolution Strategies (NES) represent a prominent class, particularly well-suited for scenarios where prior distributions are available. By optimising the objective function in the space of search distributions, NES algorithms naturally integrate prior knowledge during initialisation, making them effective in settings such as semi-supervised learning and user-prior belief frameworks. However, due to their reliance on random sampling and Monte Carlo estimates, NES algorithms can suffer from limited sample efficiency. In this paper, we introduce a novel class of algorithms, termed Probabilistic Natural Evolutionary Strategy Algorithms (ProbNES), which enhance the NES framework with Bayesian quadrature. We show that ProbNES algorithms consistently outperforms their non-probabilistic counterparts as well as global sample efficient methods such as Bayesian Optimisation (BO) or $π$BO across a wide range of tasks, including benchmark test functions, data-driven optimisation tasks, user-informed hyperparameter tuning tasks and locomotion tasks.

Ning Zhang, Henry Kenlay, Li Zhang et al.

Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these models, i.e., their sensitivity to small changes in the graph structure, remains in rather limited settings, hampering the development and deployment of robust and trustworthy models in practice. To fill this gap, we study how perturbations in the graph topology affect GCNN outputs and propose a novel formulation for analyzing model stability. Unlike prior studies that focus only on worst-case perturbations, our distribution-aware formulation characterizes output perturbations across a broad range of input data. This way, our framework enables, for the first time, a probabilistic perspective on the interplay between the statistical properties of the node data and perturbations in the graph topology. We conduct extensive experiments to validate our theoretical findings and demonstrate their benefits over existing baselines, in terms of both representation stability and adversarial attacks on downstream tasks. Our results demonstrate the practical significance of the proposed formulation and highlight the importance of incorporating data distribution into stability analysis.

Benjamin Gutteridge, Matthew Thomas Jackson, Toni Kukurin et al.

Handwritten text recognition (HTR) remains a challenging task, particularly for multi-page documents where pages share common formatting and contextual features. While modern optical character recognition (OCR) engines are proficient with printed text, their performance on handwriting is limited, often requiring costly labeled data for fine-tuning. In this paper, we explore the use of multi-modal large language models (MLLMs) for transcribing multi-page handwritten documents in a zero-shot setting. We investigate various configurations of commercial OCR engines and MLLMs, utilizing the latter both as end-to-end transcribers and as post-processors, with and without image components. We propose a novel method, '+first page', which enhances MLLM transcription by providing the OCR output of the entire document along with just the first page image. This approach leverages shared document features without incurring the high cost of processing all images. Experiments on a multi-page version of the IAM Handwriting Database demonstrate that '+first page' improves transcription accuracy, balances cost with performance, and even enhances results on out-of-sample text by extrapolating formatting and OCR error patterns from a single page.

Yuqi Nie, Yaxuan Kong, Xiaowen Dong et al.

Recent advances in large language models (LLMs) have unlocked novel opportunities for machine learning applications in the financial domain. These models have demonstrated remarkable capabilities in understanding context, processing vast amounts of data, and generating human-preferred contents. In this survey, we explore the application of LLMs on various financial tasks, focusing on their potential to transform traditional practices and drive innovation. We provide a discussion of the progress and advantages of LLMs in financial contexts, analyzing their advanced technologies as well as prospective capabilities in contextual understanding, transfer learning flexibility, complex emotion detection, etc. We then highlight this survey for categorizing the existing literature into key application areas, including linguistic tasks, sentiment analysis, financial time series, financial reasoning, agent-based modeling, and other applications. For each application area, we delve into specific methodologies, such as textual analysis, knowledge-based analysis, forecasting, data augmentation, planning, decision support, and simulations. Furthermore, a comprehensive collection of datasets, model assets, and useful codes associated with mainstream applications are presented as resources for the researchers and practitioners. Finally, we outline the challenges and opportunities for future research, particularly emphasizing a number of distinctive aspects in this field. We hope our work can help facilitate the adoption and further development of LLMs in the financial sector.

Yijin Zhou, Yutang Ge, Wenyuan Xie et al.

Transformers excel in natural language processing and computer vision tasks. However, they still face challenges in generalizing to Out-of-Distribution (OOD) datasets, i.e. data whose distribution differs from that seen during training. OOD detection aims to distinguish outliers while preserving in-distribution (ID) data performance. This paper introduces the OOD detection Probably Approximately Correct (PAC) Theory for transformers, which establishes the conditions for data distribution and model configurations for the OOD detection learnability of transformers. It shows that outliers can be accurately represented and distinguished with sufficient data under conditions. The theoretical implications highlight the trade-off between theoretical principles and practical training paradigms. By examining this trade-off, we naturally derived the rationale for leveraging auxiliary outliers to enhance OOD detection. Our theory suggests that by penalizing the misclassification of outliers within the loss function and strategically generating soft synthetic outliers, one can robustly bolster the reliability of transformer networks. This approach yields a novel algorithm that ensures learnability and refines the decision boundaries between inliers and outliers. In practice, the algorithm consistently achieves state-of-the-art (SOTA) performance across various data formats.