Daily Papers

We introduce Clifford Group Equivariant Simplicial Message Passing Networks, a method for steerable E(n)-equivariant message passing on simplicial complexes. Our method integrates the expressivity of Clifford group-equivariant layers with simplicial message passing, which is topologically more intricate than regular graph message passing. Clifford algebras include higher-order objects such as bivectors and trivectors, which express geometric features (e.g., areas, volumes) derived from vectors. Using this knowledge, we represent simplex features through geometric products of their vertices. To achieve efficient simplicial message passing, we share the parameters of the message network across different dimensions. Additionally, we restrict the final message to an aggregation of the incoming messages from different dimensions, leading to what we term shared simplicial message passing. Experimental results show that our method is able to outperform both equivariant and simplicial graph neural networks on a variety of geometric tasks.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks follow a standard message-passing paradigm: at every layer, each node state is updated based on an aggregate of messages from its neighborhood. In this work, we propose a novel framework for training graph neural networks, where every node is viewed as a player that can choose to either 'listen', 'broadcast', 'listen and broadcast', or to 'isolate'. The standard message propagation scheme can then be viewed as a special case of this framework where every node 'listens and broadcasts' to all neighbors. Our approach offers a more flexible and dynamic message-passing paradigm, where each node can determine its own strategy based on their state, effectively exploring the graph topology while learning. We provide a theoretical analysis of the new message-passing scheme which is further supported by an extensive empirical analysis on a synthetic dataset and on real-world datasets.

Topological Neural Networks (TNNs) incorporate higher-order relational information beyond pairwise interactions, enabling richer representations than Graph Neural Networks (GNNs). Concurrently, topological descriptors based on persistent homology (PH) are being increasingly employed to augment the GNNs. We investigate the benefits of integrating these two paradigms. Specifically, we introduce TopNets as a broad framework that subsumes and unifies various methods in the intersection of GNNs/TNNs and PH such as (generalizations of) RePHINE and TOGL. TopNets can also be readily adapted to handle (symmetries in) geometric complexes, extending the scope of TNNs and PH to spatial settings. Theoretically, we show that PH descriptors can provably enhance the expressivity of simplicial message-passing networks. Empirically, (continuous and E(n)-equivariant extensions of) TopNets achieve strong performance across diverse tasks, including antibody design, molecular dynamics simulation, and drug property prediction.

This work introduces DADAO: the first decentralized, accelerated, asynchronous, primal, first-order algorithm to minimize a sum of L-smooth and mu-strongly convex functions distributed over a given network of size n. Our key insight is based on modeling the local gradient updates and gossip communication procedures with separate independent Poisson Point Processes. This allows us to decouple the computation and communication steps, which can be run in parallel, while making the whole approach completely asynchronous, leading to communication acceleration compared to synchronous approaches. Our new method employs primal gradients and does not use a multi-consensus inner loop nor other ad-hoc mechanisms such as Error Feedback, Gradient Tracking, or a Proximal operator. By relating the inverse of the smallest positive eigenvalue of the Laplacian matrix chi_1 and the maximal resistance chi_2leq chi_1 of the graph to a sufficient minimal communication rate between the nodes of the network, we show that our algorithm requires O(nfrac{L{mu}}log(1{epsilon})) local gradients and only O(nchi_1chi_2frac{L{mu}}log(1{epsilon})) communications to reach a precision epsilon, up to logarithmic terms. Thus, we simultaneously obtain an accelerated rate for both computations and communications, leading to an improvement over state-of-the-art works, our simulations further validating the strength of our relatively unconstrained method. We also propose a SDP relaxation to find the optimal gossip rate of each edge minimizing the total number of communications for a given graph, resulting in faster convergence compared to standard approaches relying on uniform communication weights. Our source code is released on a public repository.

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their local aggregation mechanism can lead to problems such as over-squashing and limited expressive power in capturing relevant graph structures. Existing solutions to these challenges have primarily relied on heuristic methods, often disregarding the underlying data distribution. Hence, devising principled approaches for learning to infer graph structures relevant to the given prediction task remains an open challenge. In this work, leveraging recent progress in exact and differentiable k-subset sampling, we devise probabilistically rewired MPNNs (PR-MPNNs), which learn to add relevant edges while omitting less beneficial ones. For the first time, our theoretical analysis explores how PR-MPNNs enhance expressive power, and we identify precise conditions under which they outperform purely randomized approaches. Empirically, we demonstrate that our approach effectively mitigates issues like over-squashing and under-reaching. In addition, on established real-world datasets, our method exhibits competitive or superior predictive performance compared to traditional MPNN models and recent graph transformer architectures.

Topological deep learning has emerged for modeling higher-order relational structures beyond pairwise interactions that standard graph neural networks fail to capture. Although combinatorial complexes offer a unified topological framework, most existing topological deep learning methods rely on local message passing via attention mechanisms, which incur quadratic complexity and remain low-dimensional, limiting scalability and rank-aware information aggregation in higher-order complexes.We propose Combinatorial Complex Mamba (CCMamba), the first unified mamba-based neural framework for learning on combinatorial complexes. CCMamba reformulates message passing as a selective state-space modeling problem by organizing multi-rank incidence relations into structured sequences processed by rank-aware state-space models. This enables adaptive, directional, and long range information propagation in linear time without self attention. We further establish the theoretical analysis that the expressive power upper-bound of CCMamba message passing is the 1-Weisfeiler-Lehman test. Experiments on graph, hypergraph, and simplicial benchmarks demonstrate that CCMamba consistently outperforms existing methods while exhibiting improved scalability and robustness to depth.

Multi-agent systems powered by large language models exhibit strong capabilities in collaborative problem-solving. However, these systems suffer from substantial knowledge redundancy. Agents duplicate efforts in retrieval and reasoning processes. This inefficiency stems from a deeper issue: current architectures lack mechanisms to ensure agents share minimal sufficient information at each operational stage. Empirical analysis reveals an average knowledge duplication rate of 47.3\% across agent communications. We propose D3MAS (Decompose, Deduce, and Distribute), a hierarchical coordination framework addressing redundancy through structural design rather than explicit optimization. The framework organizes collaboration across three coordinated layers. Task decomposition filters irrelevant sub-problems early. Collaborative reasoning captures complementary inference paths across agents. Distributed memory provides access to non-redundant knowledge. These layers coordinate through structured message passing in a unified heterogeneous graph. This cross-layer alignment ensures information remains aligned with actual task needs. Experiments on four challenging datasets show that D3MAS consistently improves reasoning accuracy by 8.7\% to 15.6\% and reduces knowledge redundancy by 46\% on average.

Large language model (LLM)-based multi-agent systems (MAS) have demonstrated exceptional capabilities in solving complex tasks, yet their effectiveness depends heavily on the underlying communication topology that coordinates agent interactions. Within these systems, successful problem-solving often necessitates task-specific group structures to divide and conquer subtasks. However, most existing approaches generate communication topologies in a node-centric manner, leaving group structures to emerge implicitly from local connectivity decisions rather than modeling them explicitly, often leading to suboptimal coordination and unnecessary communication overhead. To address this limitation, we propose GoAgent (Group-of-Agents), a communication topology generation method that explicitly treats collaborative groups as the atomic units of MAS construction. Specifically, GoAgent first enumerates task-relevant candidate groups through an LLM and then autoregressively selects and connects these groups as atomic units to construct the final communication graph, jointly capturing intra-group cohesion and inter-group coordination. To mitigate communication redundancy and noise propagation inherent in expanding topologies, we further introduce a conditional information bottleneck (CIB) objective that compresses inter-group communication, preserving task-relevant signals while filtering out redundant historical noise. Extensive experiments on six benchmarks demonstrate the state-of-the-art performance of GoAgent with 93.84% average accuracy while reducing token consumption by about 17%.

Fairness in graph neural networks has been actively studied recently. However, existing works often do not explicitly consider the role of message passing in introducing or amplifying the bias. In this paper, we first investigate the problem of bias amplification in message passing. We empirically and theoretically demonstrate that message passing could amplify the bias when the 1-hop neighbors from different demographic groups are unbalanced. Guided by such analyses, we propose BeMap, a fair message passing method, that leverages a balance-aware sampling strategy to balance the number of the 1-hop neighbors of each node among different demographic groups. Extensive experiments on node classification demonstrate the efficacy of BeMap in mitigating bias while maintaining classification accuracy. The code is available at https://github.com/xiaolin-cs/BeMap.

A prominent paradigm for graph neural networks is based on the message-passing framework. In this framework, information communication is realized only between neighboring nodes. The challenge of approaches that use this paradigm is to ensure efficient and accurate long-distance communication between nodes, as deep convolutional networks are prone to oversmoothing. In this paper, we present a novel method based on time derivative graph diffusion (TIDE) to overcome these structural limitations of the message-passing framework. Our approach allows for optimizing the spatial extent of diffusion across various tasks and network channels, thus enabling medium and long-distance communication efficiently. Furthermore, we show that our architecture design also enables local message-passing and thus inherits from the capabilities of local message-passing approaches. We show that on both widely used graph benchmarks and synthetic mesh and graph datasets, the proposed framework outperforms state-of-the-art methods by a significant margin

Optimizing communication topology is fundamental to the efficiency and effectiveness of Large Language Model (LLM)-based Multi-Agent Systems (MAS). While recent approaches utilize reinforcement learning to dynamically construct task-specific graphs, they typically rely on single-sample policy gradients with absolute rewards (e.g., binary correctness). This paradigm suffers from severe gradient variance and the credit assignment problem: simple queries yield non-informative positive rewards for suboptimal structures, while difficult queries often result in failures that provide no learning signal. To address these challenges, we propose Graph-GRPO, a novel topology optimization framework that integrates Group Relative Policy Optimization. Instead of evaluating a single topology in isolation, Graph-GRPO samples a group of diverse communication graphs for each query and computes the advantage of specific edges based on their relative performance within the group. By normalizing rewards across the sampled group, our method effectively mitigates the noise derived from task difficulty variance and enables fine-grained credit assignment. Extensive experiments on reasoning and code generation benchmarks demonstrate that Graph-GRPO significantly outperforms state-of-the-art baselines, achieving superior training stability and identifying critical communication pathways previously obscured by reward noise.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

Message passing neural networks have shown a lot of success on graph-structured data. However, there are many instances where message passing can lead to over-smoothing or fail when neighboring nodes belong to different classes. In this work, we introduce a simple yet general framework for improving learning in message passing neural networks. Our approach essentially upsamples edges in the original graph by adding "slow nodes" at each edge that can mediate communication between a source and a target node. Our method only modifies the input graph, making it plug-and-play and easy to use with existing models. To understand the benefits of slowing down message passing, we provide theoretical and empirical analyses. We report results on several supervised and self-supervised benchmarks, and show improvements across the board, notably in heterophilic conditions where adjacent nodes are more likely to have different labels. Finally, we show how our approach can be used to generate augmentations for self-supervised learning, where slow nodes are randomly introduced into different edges in the graph to generate multi-scale views with variable path lengths.

With the increasing prevalence of graph-structured data, multi-view graph clustering has been widely used in various downstream applications. Existing approaches primarily rely on a unified message passing mechanism, which significantly enhances clustering performance. Nevertheless, this mechanism limits its applicability to heterophilous situations, as it is fundamentally predicated on the assumption of homophily, i.e., the connected nodes often belong to the same class. In reality, this assumption does not always hold; a moderately or even mildly homophilous graph is more common than a fully homophilous one due to inevitable heterophilous information in the graph. To address this issue, in this paper, we propose a novel SiMilarity-enhanced Homophily for Multi-view Heterophilous Graph Clustering (SMHGC) approach. By analyzing the relationship between similarity and graph homophily, we propose to enhance the homophily by introducing three similarity terms, i.e., neighbor pattern similarity, node feature similarity, and multi-view global similarity, in a label-free manner. Then, a consensus-based inter- and intra-view fusion paradigm is proposed to fuse the improved homophilous graph from different views and utilize them for clustering. The state-of-the-art experimental results on both multi-view heterophilous and homophilous datasets collectively demonstrate the strong capacity of similarity for unsupervised multi-view heterophilous graph learning. Additionally, the consistent performance across semi-synthetic datasets with varying levels of homophily serves as further evidence of SMHGC's resilience to heterophily.

Large Language Models increasingly rely on distributed techniques for their training and inference. These techniques require communication across devices which can reduce scaling efficiency as the number of devices increases. While some distributed techniques can overlap, and thus, hide this communication with independent computations, techniques such as Tensor Parallelism (TP) inherently serialize communication with model execution. One approach to hide this serialized communication is to interleave it with the producer operation (of the communicated data) in a fine-grained manner. However, this fine-grained interleaving of communication and computation in software can be difficult. Furthermore, as with any concurrent execution, it requires compute and memory resources to be shared between computation and communication, causing resource contention that reduces overlapping efficacy. To overcome these challenges, we propose T3 which applies hardware-software co-design to transparently overlap serialized communication while minimizing resource contention with compute. T3 transparently fuses producer operations with the subsequent communication via a simple configuration of the producer's output address space and requires minor software changes. At the hardware level, T3 adds a lightweight track and trigger mechanism to orchestrate the producer's compute, and communication. It further uses compute-enhanced memories for communication's attendant compute. As a result, T3 reduces resource contention, and efficiently overlaps serialized communication with computation. For important Transformer models like T-NLG, T3 speeds up communication-heavy sublayers by 30% geomean (max 47%) and reduces data movement by 22% geomean (max 36%). Furthermore, T3's benefits persist as models scale: geomean 29% for sublayers in sim500-billion parameter models, PALM and MT-NLG.

In numerous artificial intelligence applications, the collaborative efforts of multiple intelligent agents are imperative for the successful attainment of target objectives. To enhance coordination among these agents, a distributed communication framework is often employed. However, indiscriminate information sharing among all agents can be resource-intensive, and the adoption of manually pre-defined communication architectures imposes constraints on inter-agent communication, thus limiting the potential for effective collaboration. Moreover, the communication framework often remains static during inference, which may result in sustained high resource consumption, as in most cases, only key decisions necessitate information sharing among agents. In this study, we introduce a novel approach wherein we conceptualize the communication architecture among agents as a learnable graph. We formulate this problem as the task of determining the communication graph while enabling the architecture parameters to update normally, thus necessitating a bi-level optimization process. Utilizing continuous relaxation of the graph representation and incorporating attention units, our proposed approach, CommFormer, efficiently optimizes the communication graph and concurrently refines architectural parameters through gradient descent in an end-to-end manner. Additionally, we introduce a temporal gating mechanism for each agent, enabling dynamic decisions on whether to receive shared information at a given time, based on current observations, thus improving decision-making efficiency. Extensive experiments on a variety of cooperative tasks substantiate the robustness of our model across diverse cooperative scenarios, where agents are able to develop more coordinated and sophisticated strategies regardless of changes in the number of agents.

Key graph-based problems play a central role in understanding network topology and uncovering patterns of similarity in homogeneous and temporal data. Such patterns can be revealed by analyzing communities formed by nodes, which in turn can be effectively modeled through temporal k-cores. This paper introduces a novel decentralized and incremental algorithm for computing the core decomposition of temporal networks. Decentralized solutions leverage the ability of network nodes to communicate and coordinate locally, addressing complex problems in a scalable, adaptive, and timely manner. By leveraging previously computed coreness values, our approach significantly reduces the activation of nodes and the volume of message exchanges when the network changes over time. This enables scalability with only a minimal trade-off in precision. Experimental evaluations on large real-world networks under varying levels of dynamism demonstrate the efficiency of our solution compared to a state-of-the-art approach, particularly in terms of active nodes, communication overhead, and convergence speed.

Given a graph G and the desired size k in bits, how can we summarize G within k bits, while minimizing the information loss? Large-scale graphs have become omnipresent, posing considerable computational challenges. Analyzing such large graphs can be fast and easy if they are compressed sufficiently to fit in main memory or even cache. Graph summarization, which yields a coarse-grained summary graph with merged nodes, stands out with several advantages among graph compression techniques. Thus, a number of algorithms have been developed for obtaining a concise summary graph with little information loss or equivalently small reconstruction error. However, the existing methods focus solely on reducing the number of nodes, and they often yield dense summary graphs, failing to achieve better compression rates. Moreover, due to their limited scalability, they can be applied only to moderate-size graphs. In this work, we propose SSumM, a scalable and effective graph-summarization algorithm that yields a sparse summary graph. SSumM not only merges nodes together but also sparsifies the summary graph, and the two strategies are carefully balanced based on the minimum description length principle. Compared with state-of-the-art competitors, SSumM is (a) Concise: yields up to 11.2X smaller summary graphs with similar reconstruction error, (b) Accurate: achieves up to 4.2X smaller reconstruction error with similarly concise outputs, and (c) Scalable: summarizes 26X larger graphs while exhibiting linear scalability. We validate these advantages through extensive experiments on 10 real-world graphs.

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

Message passing mechanism contributes to the success of GNNs in various applications, but also brings the oversquashing problem. Recent works combat oversquashing by improving the graph spectrums with rewiring techniques, disrupting the structural bias in graphs, and having limited improvement on oversquashing in terms of oversquashing measure. Motivated by unitary RNN, we propose Graph Unitary Message Passing (GUMP) to alleviate oversquashing in GNNs by applying unitary adjacency matrix for message passing. To design GUMP, a transformation is first proposed to make general graphs have unitary adjacency matrix and keep its structural bias. Then, unitary adjacency matrix is obtained with a unitary projection algorithm, which is implemented by utilizing the intrinsic structure of unitary adjacency matrix and allows GUMP to be permutation-equivariant. Experimental results show the effectiveness of GUMP in improving the performance on various graph learning tasks.

Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and -correlation, due to their underlying objective of minimizing the Dirichlet energy and the derived neighborhood aggregation operations. In this paper, we propose the DDSM, a new MPNN model built on an optimization framework that includes the stress majorization and orthogonal regularization for overcoming the above issues. Further, we introduce the diffusion distances for nodes into the framework to guide the new message passing operations and develop efficient algorithms for distance approximations, both backed by rigorous theoretical analyses. Our comprehensive experiments showcase that DDSM consistently and considerably outperforms 15 strong baselines on both homophilic and heterophilic graphs.

Graph neural networks (GNNs) have become an indispensable tool for analyzing relational data. In the literature, classical GNNs may be classified into three variants: convolutional, attentional, and message-passing. While the standard message-passing variant is highly expressive, its typical pair-wise messages nevertheless only consider the features of the center node and each neighboring node individually. This design fails to incorporate the rich contextual information contained within the broader local neighborhood, potentially hindering its ability to learn complex relationships within the entire set of neighboring nodes. To address this limitation, this work first formalizes the concept of neighborhood-contextualization, rooted in a key property of the attentional variant. This then serves as the foundation for generalizing the message-passing variant to the proposed neighborhood-contextualized message-passing (NCMP) framework. To demonstrate its utility, a simple, practical, and efficient method to parametrize and operationalize NCMP is presented, leading to the development of the proposed Soft-Isomorphic Neighborhood-Contextualized Graph Convolution Network (SINC-GCN). A preliminary analysis on a synthetic binary node classification problem then underscores both the expressivity and efficiency of the proposed GNN architecture. Overall, the paper lays the foundation for the novel NCMP framework as a practical path toward further enhancing the graph representational power of classical GNNs.

The emergence of Large Language Models (LLMs) has necessitated the adoption of parallel training techniques, involving the deployment of thousands of GPUs to train a single model. Unfortunately, we have found that the efficiency of current parallel training is often suboptimal, largely due to the following two main issues. Firstly, hardware failures are inevitable, leading to interruptions in the training tasks. The inability to quickly identify the faulty components results in a substantial waste of GPU resources. Secondly, since GPUs must wait for parameter synchronization to complete before proceeding to the next round of computation, network congestions can greatly increase the waiting time for GPUs. To address these challenges, this paper introduces a communication-driven solution, namely the C4. The key insights of C4 are two folds. First, in parallel training, collective communication exhibits periodic and homogeneous characteristics, so any anomalies are certainly due to some form of hardware malfunction. By leveraging this feature, C4 can rapidly identify the faulty components, swiftly isolate the anomaly, and restart the task, thereby avoiding resource wastage caused by delays in anomaly detection. Second, the predictable communication model of collective communication, involving few large flows, allows C4 to efficiently execute traffic planning, substantially reducing network congestion. C4 has been extensively implemented across our production systems, cutting error-induced overhead by roughly 30% and enhancing runtime performance by about 15% for certain applications with moderate communication costs.

State-of-the-art neural algorithmic reasoners make use of message passing in graph neural networks (GNNs). But typical GNNs blur the distinction between the definition and invocation of the message function, forcing a node to send messages to its neighbours at every layer, synchronously. When applying GNNs to learn to execute dynamic programming algorithms, however, on most steps only a handful of the nodes would have meaningful updates to send. One, hence, runs the risk of inefficiencies by sending too much irrelevant data across the graph -- with many intermediate GNN steps having to learn identity functions. In this work, we explicitly separate the concepts of node state update and message function invocation. With this separation, we obtain a mathematical formulation that allows us to reason about asynchronous computation in both algorithms and neural networks.

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has motivated the development of more expressive architectures. In this work, we analyze if the limited expressiveness is actually a limiting factor for MPNNs and other WL-based models in standard graph datasets. Interestingly, we find that the expressiveness of WL is sufficient to identify almost all graphs in most datasets. Moreover, we find that the classification accuracy upper bounds are often close to 100\%. Furthermore, we find that simple WL-based neural networks and several MPNNs can be fitted to several datasets. In sum, we conclude that the performance of WL/MPNNs is not limited by their expressiveness in practice.

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.

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

Triangle centrality is introduced for finding important vertices in a graph based on the concentration of triangles surrounding each vertex. It has the distinct feature of allowing a vertex to be central if it is in many triangles or none at all. We show experimentally that triangle centrality is broadly applicable to many different types of networks. Our empirical results demonstrate that 30% of the time triangle centrality identified central vertices that differed with those found by five well-known centrality measures, which suggests novelty without being overly specialized. It is also asymptotically faster to compute on sparse graphs than all but the most trivial of these other measures. We introduce optimal algorithms that compute triangle centrality in O(mbarδ) time and O(m+n) space, where barδle O(m) is the average degeneracy introduced by Burkhardt, Faber, and Harris (2020). In practical applications, barδ is much smaller than m so triangle centrality can be computed in nearly linear time. On a Concurrent Read Exclusive Write (CREW) Parallel Random Access Machine (PRAM), we give a near work-optimal parallel algorithm that takes O(log n) time using O(mm) CREW PRAM processors. In MapReduce, we show it takes four rounds using O(mm) communication bits and is therefore optimal. We also derive a linear algebraic formulation of triangle centrality which can be computed in O(mbarδ) time on sparse graphs.

The notion of shortcut partition, introduced recently by Chang, Conroy, Le, Milenkovi\'c, Solomon, and Than [CCLMST23], is a new type of graph partition into low-diameter clusters. Roughly speaking, the shortcut partition guarantees that for every two vertices u and v in the graph, there exists a path between u and v that intersects only a few clusters. They proved that any planar graph admits a shortcut partition and gave several applications, including a construction of tree cover for arbitrary planar graphs with stretch 1+varepsilon and O(1) many trees for any fixed varepsilon in (0,1). However, the construction heavily exploits planarity in multiple steps, and is thus inherently limited to planar graphs. In this work, we breach the "planarity barrier" to construct a shortcut partition for K_r-minor-free graphs for any r. To this end, we take a completely different approach -- our key contribution is a novel deterministic variant of the cop decomposition in minor-free graphs [And86, AGG14]. Our shortcut partition for K_r-minor-free graphs yields several direct applications. Most notably, we construct the first optimal distance oracle for K_r-minor-free graphs, with 1+varepsilon stretch, linear space, and constant query time for any fixed varepsilon in (0,1). The previous best distance oracle [AG06] uses O(nlog n) space and O(log n) query time, and its construction relies on Robertson-Seymour structural theorem and other sophisticated tools. We also obtain the first tree cover of O(1) size for minor-free graphs with stretch 1+varepsilon, while the previous best (1+varepsilon)-tree cover has size O(log^2 n) [BFN19].

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

Language model training in distributed settings is limited by the communication cost of gradient exchanges. In this short note, we extend recent work from Malladi et al. (2023), using shared randomness to perform distributed fine-tuning with low bandwidth. The method is a natural decentralized extension of memory-efficient Simultaneous Perturbation Stochastic Approximation (SPSA). Each iteration, each machine seeds a Random Number Generator (RNG) to perform local reproducible perturbations on model weights and calculate and exchange scalar projected gradients, which are then used to update each model. By using a (machine, sample) identifier as the random seed, each model can regenerate one another's perturbations. As machines only exchange single-byte projected gradients, this is highly communication efficient. There are also potential privacy benefits, as projected gradients may be calculated on different training data, and models never access the other's data. Our approach not only drastically reduces communication bandwidth requirements but also accommodates dynamic addition or removal of machines during the training process and retains the memory-efficient and inference-only advantages of recent work. We perform proof-of-concept experiments to demonstrate the potential usefulness of this method, building off of rich literature on distributed optimization and memory-efficient training.

Decentralized learning provides a scalable alternative to traditional parameter-server-based training, yet its performance is often hindered by limited peer-to-peer communication. In this paper, we study how communication should be scheduled over time, including determining when and how frequently devices synchronize. Our empirical results show that concentrating communication budgets in the later stages of decentralized training markedly improves global generalization. Surprisingly, we uncover that fully connected communication at the final step, implemented by a single global merging, is sufficient to match the performance of server-based training. We further show that low communication in decentralized learning preserves the mergeability of local models throughout training. Our theoretical contributions, which explains these phenomena, are first to establish that the globally merged model of decentralized SGD can converge faster than centralized mini-batch SGD. Technically, we novelly reinterpret part of the discrepancy among local models, which were previously considered as detrimental noise, as constructive components that accelerate convergence. This work challenges the common belief that decentralized learning generalizes poorly under data heterogeneity and limited communication, while offering new insights into model merging and neural network loss landscapes.

Distributed training of large models consumes enormous computation resources and requires substantial engineering efforts to compose various training techniques. This paper presents SimpleFSDP, a PyTorch-native compiler-based Fully Sharded Data Parallel (FSDP) framework, which has a simple implementation for maintenance and composability, allows full computation-communication graph tracing, and brings performance enhancement via compiler backend optimizations. SimpleFSDP's novelty lies in its unique torch.compile-friendly implementation of collective communications using existing PyTorch primitives, namely parametrizations, selective activation checkpointing, and DTensor. It also features the first-of-its-kind intermediate representation (IR) nodes bucketing and reordering in the TorchInductor backend for effective computation-communication overlapping. As a result, users can employ the aforementioned optimizations to automatically or manually wrap model components for minimal communication exposure. Extensive evaluations of SimpleFSDP on Llama 3 models (including the ultra-large 405B) using TorchTitan demonstrate up to 28.54% memory reduction and 68.67% throughput improvement compared to the most widely adopted FSDP2 eager framework, when composed with other distributed training techniques.

Graph coloring is fundamental to distributed computing. We give the first sub-logarithmic distributed algorithm for coloring cluster graphs. These graphs are obtained from the underlying communication network by contracting nodes and edges, and they appear frequently as components in the study of distributed algorithms. In particular, we give a O(log^* n)-round algorithm to (Δ+1)-color cluster graphs of at least polylogarithmic degree. The previous best bound known was poly(log n) [Flin et al., SODA'24]. This properly generalizes results in the CONGEST model and shows that distributed graph problems can be solved quickly even when the node itself is decentralized.

Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep learning on heterogeneous graphs. Typical HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs. Recent pre-computation-based HGNNs use one-time message passing to transform a heterogeneous graph into regular-shaped tensors, enabling efficient mini-batch training. Existing pre-computation-based HGNNs can be mainly categorized into two styles, which differ in how much information loss is allowed and efficiency. We propose a hybrid pre-computation-based HGNN, named Random Projection Heterogeneous Graph Neural Network (RpHGNN), which combines the benefits of one style's efficiency with the low information loss of the other style. To achieve efficiency, the main framework of RpHGNN consists of propagate-then-update iterations, where we introduce a Random Projection Squashing step to ensure that complexity increases only linearly. To achieve low information loss, we introduce a Relation-wise Neighbor Collection component with an Even-odd Propagation Scheme, which aims to collect information from neighbors in a finer-grained way. Experimental results indicate that our approach achieves state-of-the-art results on seven small and large benchmark datasets while also being 230% faster compared to the most effective baseline. Surprisingly, our approach not only surpasses pre-processing-based baselines but also outperforms end-to-end methods.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

Communicating state machines provide a formal foundation for distributed computation. Unfortunately, they are Turing-complete and, thus, challenging to analyse. In this paper, we classify restrictions on channels which have been proposed to work around the undecidability of verification questions. We compare half-duplex communication, existential B-boundedness, and k-synchronisability. These restrictions do not prevent the communication channels from growing arbitrarily large but still restrict the power of the model. Each restriction gives rise to a set of languages so, for every pair of restrictions, we check whether one subsumes the other or if they are incomparable. We investigate their relationship in two different contexts: first, the one of communicating state machines, and, second, the one of communication protocol specifications using high-level message sequence charts. Surprisingly, these two contexts yield different conclusions. In addition, we integrate multiparty session types, another approach to specify communication protocols, into our classification. We show that multiparty session type languages are half-duplex, existentially 1-bounded, and 1-synchronisable. To~show this result, we provide the first formal embedding of multiparty session types into high-level message sequence charts.

Federated learning is an active research topic since it enables several participants to jointly train a model without sharing local data. Currently, cross-silo federated learning is a popular training setting that utilizes a few hundred reliable data silos with high-speed access links to training a model. While this approach has been widely applied in real-world scenarios, designing a robust topology to reduce the training time remains an open problem. In this paper, we present a new multigraph topology for cross-silo federated learning. We first construct the multigraph using the overlay graph. We then parse this multigraph into different simple graphs with isolated nodes. The existence of isolated nodes allows us to perform model aggregation without waiting for other nodes, hence effectively reducing the training time. Intensive experiments on three public datasets show that our proposed method significantly reduces the training time compared with recent state-of-the-art topologies while maintaining the accuracy of the learned model. Our code can be found at https://github.com/aioz-ai/MultigraphFL

The shadow of an abstract simplicial complex K with vertices in R^N is a subset of R^N defined as the union of the convex hulls of simplices of K. The Vietoris--Rips complex of a metric space (S,d) at scale β is an abstract simplicial complex whose each k-simplex corresponds to (k+1) points of S within diameter β. In case Ssubsetmathbb R^2 and d(a,b)=|a-b| the standard Euclidean metric, the natural shadow projection of the Vietoris--Rips complex is already proved by Chambers et al. to induce isomorphisms on π_0 and π_1. We extend the result beyond the standard Euclidean distance on Ssubsetmathbb R^N to a family of path-based metrics, d^varepsilon_{S}. From the pairwise Euclidean distances of points in S, we introduce a family (parametrized by varepsilon) of path-based Vietoris--Rips complexes R^varepsilon_β(S) for a scale β>0. If SsubsetR^2 is Hausdorff-close to a planar Euclidean graph G, we provide quantitative bounds on scales β,varepsilon for the shadow projection map of the Vietoris--Rips complex of (S,d^varepsilon_S) at scale β to induce π_1-isomorphism. This paper first studies the homotopy-type recovery of Gsubsetmathbb R^N using the abstract Vietoris--Rips complex of a Hausdorff-close sample S under the d^varepsilon_S metric. Then, our result on the π_1-isomorphism induced by the shadow projection lends itself to providing also a geometrically close embedding for the reconstruction. Based on the length of the shortest loop and large-scale distortion of the embedding of G, we quantify the choice of a suitable sample density varepsilon and a scale β at which the shadow of R^varepsilon_β(S) is homotopy-equivalent and Hausdorff-close to G.

Deep recommender systems rely heavily on large embedding tables to handle high-cardinality categorical features such as user/item identifiers, and face significant memory constraints at scale. To tackle this challenge, hashing techniques are often employed to map multiple entities to the same embedding and thus reduce the size of the embedding tables. Concurrently, graph-based collaborative signals have emerged as powerful tools in recommender systems, yet their potential for optimizing embedding table reduction remains unexplored. This paper introduces GraphHash, the first graph-based approach that leverages modularity-based bipartite graph clustering on user-item interaction graphs to reduce embedding table sizes. We demonstrate that the modularity objective has a theoretical connection to message-passing, which provides a foundation for our method. By employing fast clustering algorithms, GraphHash serves as a computationally efficient proxy for message-passing during preprocessing and a plug-and-play graph-based alternative to traditional ID hashing. Extensive experiments show that GraphHash substantially outperforms diverse hashing baselines on both retrieval and click-through-rate prediction tasks. In particular, GraphHash achieves on average a 101.52% improvement in recall when reducing the embedding table size by more than 75%, highlighting the value of graph-based collaborative information for model reduction. Our code is available at https://github.com/snap-research/GraphHash.

Despite the recent successes of vanilla Graph Neural Networks (GNNs) on many tasks, their foundation on pairwise interaction networks inherently limits their capacity to discern latent higher-order interactions in complex systems. To bridge this capability gap, we propose a novel approach exploiting the rich mathematical theory of simplicial complexes (SCs) - a robust tool for modeling higher-order interactions. Current SC-based GNNs are burdened by high complexity and rigidity, and quantifying higher-order interaction strengths remains challenging. Innovatively, we present a higher-order Flower-Petals (FP) model, incorporating FP Laplacians into SCs. Further, we introduce a Higher-order Graph Convolutional Network (HiGCN) grounded in FP Laplacians, capable of discerning intrinsic features across varying topological scales. By employing learnable graph filters, a parameter group within each FP Laplacian domain, we can identify diverse patterns where the filters' weights serve as a quantifiable measure of higher-order interaction strengths. The theoretical underpinnings of HiGCN's advanced expressiveness are rigorously demonstrated. Additionally, our empirical investigations reveal that the proposed model accomplishes state-of-the-art (SOTA) performance on a range of graph tasks and provides a scalable and flexible solution to explore higher-order interactions in graphs.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

This paper introduces Multi-Agent MDP Homomorphic Networks, a class of networks that allows distributed execution using only local information, yet is able to share experience between global symmetries in the joint state-action space of cooperative multi-agent systems. In cooperative multi-agent systems, complex symmetries arise between different configurations of the agents and their local observations. For example, consider a group of agents navigating: rotating the state globally results in a permutation of the optimal joint policy. Existing work on symmetries in single agent reinforcement learning can only be generalized to the fully centralized setting, because such approaches rely on the global symmetry in the full state-action spaces, and these can result in correspondences across agents. To encode such symmetries while still allowing distributed execution we propose a factorization that decomposes global symmetries into local transformations. Our proposed factorization allows for distributing the computation that enforces global symmetries over local agents and local interactions. We introduce a multi-agent equivariant policy network based on this factorization. We show empirically on symmetric multi-agent problems that globally symmetric distributable policies improve data efficiency compared to non-equivariant baselines.

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire and can solely learn regular graph topologies. In the wake of the success of Topological Deep Learning (TDL), we study Latent Topology Inference (LTI) for learning higher-order cell complexes (with sparse and not regular topology) describing multi-way interactions between data points. To this aim, we introduce the Differentiable Cell Complex Module (DCM), a novel learnable function that computes cell probabilities in the complex to improve the downstream task. We show how to integrate DCM with cell complex message passing networks layers and train it in a end-to-end fashion, thanks to a two-step inference procedure that avoids an exhaustive search across all possible cells in the input, thus maintaining scalability. Our model is tested on several homophilic and heterophilic graph datasets and it is shown to outperform other state-of-the-art techniques, offering significant improvements especially in cases where an input graph is not provided.

We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We propose a provably efficient algorithm based on value iteration that enable asynchronous communication while ensuring the advantage of cooperation with low communication overhead. With linear function approximation, we prove that our algorithm enjoys an mathcal{O}(d^{3/2}H^2K) regret with mathcal{O}(dHM^2) communication complexity, where d is the feature dimension, H is the horizon length, M is the total number of agents, and K is the total number of episodes. We also provide a lower bound showing that a minimal Omega(dM) communication complexity is required to improve the performance through collaboration.

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

In this study, we propose a simple method for fault-tolerant Strassen-like matrix multiplications. The proposed method is based on using two distinct Strassen-like algorithms instead of replicating a given one. We have realized that using two different algorithms, new check relations arise resulting in more local computations. These local computations are found using computer aided search. To improve performance, special parity (extra) sub-matrix multiplications (PSMMs) are generated (two of them) at the expense of increasing communication/computation cost of the system. Our preliminary results demonstrate that the proposed method outperforms a Strassen-like algorithm with two copies and secures a very close performance to three copy version using only 2 PSMMs, reducing the total number of compute nodes by around 24\% i.e., from 21 to 16.

Emerging Large Language Model (LLM) system patterns, such as disaggregated inference, Mixture-of-Experts (MoE) routing, and asynchronous reinforcement fine-tuning, require flexible point-to-point communication beyond simple collectives. Existing implementations are locked to specific Network Interface Controllers (NICs), hindering integration into inference engines and portability across hardware providers. We present TransferEngine, which bridges the functionality of common NICs to expose a uniform interface. TransferEngine exposes one-sided WriteImm operations with a ImmCounter primitive for completion notification, without ordering assumptions of network transport, transparently managing multiple NICs per GPU. We demonstrate peak throughput of 400 Gbps on both NVIDIA ConnectX-7 and AWS Elastic Fabric Adapter (EFA). We showcase TransferEngine through three production systems: (1) KvCache transfer for disaggregated inference with dynamic scaling, (2) RL weight updates achieving 1.3 seconds for trillion-parameter models, and (3) MoE dispatch/combine implementation exceeding DeepEP decode latency on ConnectX-7, with the first viable latencies on EFA. We demonstrate that our portable point-to-point communication complements collectives while avoiding lock-in.

Large Language Model-based Multi-Agent Systems (LLM-MAS) are increasingly applied to complex collaborative scenarios. However, their collaborative mechanisms may cause minor inaccuracies to gradually solidify into system-level false consensus through iteration. Such risks are difficult to trace since errors can propagate and amplify through message dependencies. Existing protections often rely on single-agent validation or require modifications to the collaboration architecture, which can weaken effective information flow and may not align with natural collaboration processes in real tasks. To address this, we propose a propagation dynamics model tailored for LLM-MAS that abstracts collaboration as a directed dependency graph and provides an early-stage risk criterion to characterize amplification risk. Through experiments on six mainstream frameworks, we identify three vulnerability classes: cascade amplification, topological sensitivity, and consensus inertia. We further instantiate an attack where injecting just a single atomic error seed leads to widespread failure. In response, we introduce a genealogy-graph-based governance layer, implemented as a message-layer plugin, that suppresses both endogenous and exogenous error amplification without altering the collaboration architecture. Experiments show that this approach raises the defense success rate from a baseline of 0.32 to over 0.89 and significantly mitigates the cascading spread of minor errors.

A k-clique is a dense graph, consisting of k fully-connected nodes, that finds numerous applications, such as community detection and network analysis. In this paper, we study a new problem, that finds a maximum set of disjoint k-cliques in a given large real-world graph with a user-defined fixed number k, which can contribute to a good performance of teaming collaborative events in online games. However, this problem is NP-hard when k geq 3, making it difficult to solve. To address that, we propose an efficient lightweight method that avoids significant overheads and achieves a k-approximation to the optimal, which is equipped with several optimization techniques, including the ordering method, degree estimation in the clique graph, and a lightweight implementation. Besides, to handle dynamic graphs that are widely seen in real-world social networks, we devise an efficient indexing method with careful swapping operations, leading to the efficient maintenance of a near-optimal result with frequent updates in the graph. In various experiments on several large graphs, our proposed approaches significantly outperform the competitors by up to 2 orders of magnitude in running time and 13.3\% in the number of computed disjoint k-cliques, which demonstrates the superiority of the proposed approaches in terms of efficiency and effectiveness.

Large Language Models (LLMs) are increasingly deployed in multi-agent systems, where effective inter-model communication is crucial. Existing communication protocols either rely on natural language, incurring high inference costs and information loss, or on hidden states, which suffer from information concentration bias and inefficiency. To address these limitations, we propose KVComm, a novel communication framework that enables efficient communication between LLMs through selective sharing of KV pairs. KVComm leverages the rich information encoded in the KV pairs while avoiding the pitfalls of hidden states. We introduce a KV layer-wise selection strategy based on attention importance scores with a Gaussian prior to identify the most informative KV pairs for communication. Extensive experiments across diverse tasks and model pairs demonstrate that KVComm achieves comparable performance to the upper-bound method, which directly merges inputs to one model without any communication, while transmitting as few as 30\% of layers' KV pairs. Our study highlights the potential of KV pairs as an effective medium for inter-LLM communication, paving the way for scalable and efficient multi-agent systems.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes considering their connectivity, and not much work has been done in representing the edges, which are essential components of a graph. However, for tasks such as graph reconstruction and generation, as well as graph classification tasks for which the edges are important for discrimination, accurately representing edges of a given graph is crucial to the success of the graph representation learning. To this end, we propose a novel edge representation learning framework based on Dual Hypergraph Transformation (DHT), which transforms the edges of a graph into the nodes of a hypergraph. This dual hypergraph construction allows us to apply message-passing techniques for node representations to edges. After obtaining edge representations from the hypergraphs, we then cluster or drop edges to obtain holistic graph-level edge representations. We validate our edge representation learning method with hypergraphs on diverse graph datasets for graph representation and generation performance, on which our method largely outperforms existing graph representation learning methods. Moreover, our edge representation learning and pooling method also largely outperforms state-of-the-art graph pooling methods on graph classification, not only because of its accurate edge representation learning, but also due to its lossless compression of the nodes and removal of irrelevant edges for effective message-passing.

Collaborative perception empowers each agent to improve its perceptual ability through the exchange of perceptual messages with other agents. It inherently results in a fundamental trade-off between perception ability and communication cost. To address this bottleneck issue, our core idea is to optimize the collaborative messages from two key aspects: representation and selection. The proposed codebook-based message representation enables the transmission of integer codes, rather than high-dimensional feature maps. The proposed information-filling-driven message selection optimizes local messages to collectively fill each agent's information demand, preventing information overflow among multiple agents. By integrating these two designs, we propose CodeFilling, a novel communication-efficient collaborative perception system, which significantly advances the perception-communication trade-off and is inclusive to both homogeneous and heterogeneous collaboration settings. We evaluate CodeFilling in both a real-world dataset, DAIR-V2X, and a new simulation dataset, OPV2VH+. Results show that CodeFilling outperforms previous SOTA Where2comm on DAIR-V2X/OPV2VH+ with 1,333/1,206 times lower communication volume. Our code is available at https://github.com/PhyllisH/CodeFilling.

Recent advancements in large language models (LLMs) and their multimodal variants have led to remarkable progress across various domains, demonstrating impressive capabilities and unprecedented potential. In the era of ubiquitous connectivity, leveraging communication networks to distribute intelligence is a transformative concept, envisioning AI-powered services accessible at the network edge. However, pushing large models from the cloud to resource-constrained environments faces critical challenges. Model inference on low-end devices leads to excessive latency and performance bottlenecks, while raw data transmission over limited bandwidth networks causes high communication overhead. This article presents AI Flow, a framework that streamlines the inference process by jointly leveraging the heterogeneous resources available across devices, edge nodes, and cloud servers, making intelligence flow across networks. To facilitate cooperation among multiple computational nodes, the proposed framework explores a paradigm shift in the design of communication network systems from transmitting information flow to intelligence flow, where the goal of communications is task-oriented and folded into the inference process. Experimental results demonstrate the effectiveness of the proposed framework through an image captioning use case, showcasing the ability to reduce response latency while maintaining high-quality captions. This article serves as a position paper for identifying the motivation, challenges, and principles of AI Flow.

GossipSub is a new peer-to-peer communication protocol designed to counter attacks from misbehaving peers by controlling what information is sent and to whom, via a score function computed by each peer that captures positive and negative behaviors of its neighbors. The score function depends on several parameters (weights, caps, thresholds) that can be configured by applications using GossipSub. The specification for GossipSub is written in English and its resilience to attacks from misbehaving peers is supported empirically by emulation testing using an implementation in Golang. In this work we take a foundational approach to understanding the resilience of GossipSub to attacks from misbehaving peers. We build the first formal model of GossipSub, using the ACL2s theorem prover. Our model is officially endorsed by the GossipSub developers. It can simulate GossipSub networks of arbitrary size and topology, with arbitrarily configured peers, and can be used to prove and disprove theorems about the protocol. We formalize fundamental security properties stating that the score function is fair, penalizes bad behavior, and rewards good behavior. We prove that the score function is always fair, but can be configured in ways that either penalize good behavior or ignore bad behavior. Using our model, we run GossipSub with the specific configurations for two popular real-world applications: the FileCoin and Eth2.0 blockchains. We show that all properties hold for FileCoin. However, given any Eth2.0 network (of any topology and size) with any number of potentially misbehaving peers, we can synthesize attacks where these peers are able to continuously misbehave by never forwarding topic messages, while maintaining positive scores so that they are never pruned from the network by GossipSub.

Multi-agent systems (MAS) based on Large Language Models (LLMs) have the potential to solve tasks that are beyond the reach of any single LLM. However, this potential can only be realized when the collaboration mechanism between agents is optimized. Specifically, optimizing the communication structure between agents is critical for fruitful collaboration. Most existing approaches rely on fixed topologies, pretrained graph generators, optimization over edges, or employ external LLM judges, thereby adding to the complexity. In this work, we introduce a response-conditioned framework that adapts communication on-the-fly. Agents independently generate responses to the user query and assess peer contributions using an approximation of the Shapley value. A directed acyclic graph (DAG) is then constructed to regulate the propagation of the responses among agents, which ensures stable and efficient message transmission from high-contributing agents to others. This graph is dynamically updated based on the agent responses from the previous collaboration round. Since the proposed framework enables the self-organization of agents without additional supervision or training, we refer to it as SelfOrg. The SelfOrg framework goes beyond task- and query-level optimization and takes into account the stochastic nature of agent responses. Experiments with both strong and weak LLM backends demonstrate robust performance, with significant gains in the weak regime where prior methods collapse. We also theoretically show that multiple agents increase the chance of correctness and that the correct responses naturally dominate the information flow.

Multi-agent systems can improve reliability, yet under a fixed inference budget they often help, saturate, or even collapse. We develop a minimal and calibratable theory that predicts these regimes from three binding constraints of modern agent stacks: finite context windows, lossy inter-agent communication, and shared failures among similar agents. Each leaf agent is summarized by a compute-performance scaling exponent β; communication is captured by a message-length fidelity curve γ(m); dependence is captured by an effective shared-error correlation ρ; and a context window W imposes hard fan-in limits that make hierarchy necessary. For binary success/failure tasks with majority aggregation, we prove a sharp phase transition for deep b-ary trees with correlated inputs and lossy communication: a single scalar α_ρ (combining γ(m), ρ, and fan-in b) determines whether weak signal is amplified to a nontrivial fixed point or washed out to chance. In the amplifying regime, we derive an organization exponent s and show that budgeted synergy, i.e., outperforming the best single agent under the same total budget, occurs exactly when s>β, yielding closed-form compute allocation rules and explicit budget thresholds. We further characterize saturation via a mixing depth and provide a conservative clipped predictor that remains accurate across growth and saturation. A continuous-performance warm-up gives closed-form risks for star, chain, and tree organizations, making correlation- and communication-induced floors explicit and exposing the core design trade-offs in a smooth setting. Finally, we validate the predicted phase boundaries in controlled synthetic simulations and show how the same mechanisms explain the dominant bottlenecks reported in recent large-scale matched-budget studies of LLM agent-system scaling.

Large Language Model (LLM) based multi-agent systems have shown remarkable performance in various tasks, especially when enhanced through collaborative communication. However, current methods often rely on a fixed number of agents and static communication structures, limiting their ability to adapt to varying task complexities. In this paper, we propose Adaptive Graph Pruning (AGP), a novel task-adaptive multi-agent collaboration framework that jointly optimizes agent quantity (hard-pruning) and communication topology (soft-pruning). Specifically, our method employs a two-stage training strategy: firstly, independently training soft-pruning networks for different agent quantities to determine optimal agent-quantity-specific complete graphs and positional masks across specific tasks; and then jointly optimizing hard-pruning and soft-pruning within a maximum complete graph to dynamically configure the number of agents and their communication topologies per task. Extensive experiments demonstrate that our approach is: (1) High-performing, achieving state-of-the-art results across six benchmarks and consistently generalizes across multiple mainstream LLM architectures, with a increase in performance of 2.58%sim 9.84%; (2) Task-adaptive, dynamically constructing optimized communication topologies tailored to specific tasks, with an extremely high performance in all three task categories (general reasoning, mathematical reasoning, and code generation); (3) Token-economical, having fewer training steps and token consumption at the same time, with a decrease in token consumption of 90%+; and (4) Training-efficient, achieving high performance with very few training steps compared with other methods. The performance will surpass the existing baselines after about ten steps of training under six benchmarks.

We present ModularSubsetSelection (MSS), a new algorithm for locally differentially private (LDP) frequency estimation. Given a universe of size k and n users, our varepsilon-LDP mechanism encodes each input via a Residue Number System (RNS) over ell pairwise-coprime moduli m_0, ldots, m_{ell-1}, and reports a randomly chosen index j in [ell] along with the perturbed residue using the statistically optimal SubsetSelection (SS) (Wang et al. 2016). This design reduces the user communication cost from Θbigl(ωlog_2(k/ω)bigr) bits required by standard SS (with ωapprox k/(e^varepsilon+1)) down to lceil log_2 ell rceil + lceil log_2 m_j rceil bits, where m_j < k. Server-side decoding runs in Θ(n + r k ell) time, where r is the number of LSMR (Fong and Saunders 2011) iterations. In practice, with well-conditioned moduli (i.e., constant r and ell = Θ(log k)), this becomes Θ(n + k log k). We prove that MSS achieves worst-case MSE within a constant factor of state-of-the-art protocols such as SS and ProjectiveGeometryResponse (PGR) (Feldman et al. 2022) while avoiding the algebraic prerequisites and dynamic-programming decoder required by PGR. Empirically, MSS matches the estimation accuracy of SS, PGR, and RAPPOR (Erlingsson, Pihur, and Korolova 2014) across realistic (k, varepsilon) settings, while offering faster decoding than PGR and shorter user messages than SS. Lastly, by sampling from multiple moduli and reporting only a single perturbed residue, MSS achieves the lowest reconstruction-attack success rate among all evaluated LDP protocols.

We formulate the predicted-updates dynamic model, one of the first beyond-worst-case models for dynamic algorithms, which generalizes a large set of well-studied dynamic models including the offline dynamic, incremental, and decremental models to the fully dynamic setting when given predictions about the update times of the elements. In the most basic form of our model, we receive a set of predicted update times for all of the updates that occur over the event horizon. We give a novel framework that "lifts" offline divide-and-conquer algorithms into the fully dynamic setting with little overhead. Using this, we are able to interpolate between the offline and fully dynamic settings; when the ell_1 error of the prediction is linear in the number of updates, we achieve the offline runtime of the algorithm (up to poly log n factors). Provided a fully dynamic backstop algorithm, our algorithm will never do worse than the backstop algorithm regardless of the prediction error. Furthermore, our framework achieves a smooth linear trade-off between ell_1 error in the predictions and runtime. These correspond to the desiderata of consistency, robustness, and graceful degradation of the algorithms-with-predictions literature. We further extend our techniques to incremental and decremental settings, transforming algorithms in these settings when given predictions of only the deletion and insertion times, respectively. Our framework is general, and we apply it to obtain improved efficiency bounds over the state-of-the-art dynamic algorithms for a variety of problems including triconnectivity, planar digraph all pairs shortest paths, k-edge connectivity, and others, for prediction error of reasonable magnitude.

Message passing graph neural networks (GNNs) would appear to be powerful tools to learn distributed algorithms via gradient descent, but generate catastrophically incorrect predictions when nodes update asynchronously during inference. This failure under asynchrony effectively excludes these architectures from many potential applications, such as learning local communication policies between resource-constrained agents in, e.g., robotic swarms or sensor networks. In this work we explore why this failure occurs in common GNN architectures, and identify "implicitly-defined" GNNs as a class of architectures which is provably robust to partially asynchronous "hogwild" inference, adapting convergence guarantees from work in asynchronous and distributed optimization, e.g., Bertsekas (1982); Niu et al. (2011). We then propose a novel implicitly-defined GNN architecture, which we call an energy GNN. We show that this architecture outperforms other GNNs from this class on a variety of synthetic tasks inspired by multi-agent systems, and achieves competitive performance on real-world datasets.

We study Helly graphs of finite combinatorial dimension, i.e. whose injective hull is finite-dimensional. We describe very simple fine simplicial subdivisions of the injective hull of a Helly graph, following work of Lang. We also give a very explicit simplicial model of the injective hull of a Helly graphs, in terms of cliques which are intersections of balls. We use these subdivisions to prove that any automorphism of a Helly graph with finite combinatorial dimension is either elliptic or hyperbolic. Moreover, every such hyperbolic automorphism has an axis in an appropriate Helly subdivision, and its translation length is rational with uniformly bounded denominator.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional/Structural Encodings (SE/PE). In this paper, we show that while Transformers, complex message-passing, and SE/PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), such as Mamba, we present Graph Mamba Networks (GMNs), a general framework for a new class of GNNs based on selective SSMs. We discuss and categorize the new challenges when adopting SSMs to graph-structured data, and present four required and one optional steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of Bidirectional Selective SSM Encoder, (4) Local Encoding, and dispensable (5) PE and SE. We further provide theoretical justification for the power of GMNs. Experiments demonstrate that despite much less computational cost, GMNs attain an outstanding performance in long-range, small-scale, large-scale, and heterophilic benchmark datasets.

We present a distributed data structure, which we call the rainbow skip graph. To our knowledge, this is the first peer-to-peer data structure that simultaneously achieves high fault tolerance, constant-sized nodes, and fast update and query times for ordered data. It is a non-trivial adaptation of the SkipNet/skip-graph structures of Harvey et al. and Aspnes and Shah, so as to provide fault-tolerance as these structures do, but to do so using constant-sized nodes, as in the family tree structure of Zatloukal and Harvey. It supports successor queries on a set of n items using O(log n) messages with high probability, an improvement over the expected O(log n) messages of the family tree.

In the context of distributed synchronous computing, processors perform in rounds, and the time-complexity of a distributed algorithm is classically defined as the number of rounds before all computing nodes have output. Hence, this complexity measure captures the running time of the slowest node(s). In this paper, we are interested in the running time of the ordinary nodes, to be compared with the running time of the slowest nodes. The node-averaged time-complexity of a distributed algorithm on a given instance is defined as the average, taken over every node of the instance, of the number of rounds before that node output. We compare the node-averaged time-complexity with the classical one in the standard LOCAL model for distributed network computing. We show that there can be an exponential gap between the node-averaged time-complexity and the classical time-complexity, as witnessed by, e.g., leader election. Our first main result is a positive one, stating that, in fact, the two time-complexities behave the same for a large class of problems on very sparse graphs. In particular, we show that, for LCL problems on cycles, the node-averaged time complexity is of the same order of magnitude as the slowest node time-complexity. In addition, in the LOCAL model, the time-complexity is computed as a worst case over all possible identity assignments to the nodes of the network. In this paper, we also investigate the ID-averaged time-complexity, when the number of rounds is averaged over all possible identity assignments. Our second main result is that the ID-averaged time-complexity is essentially the same as the expected time-complexity of randomized algorithms (where the expectation is taken over all possible random bits used by the nodes, and the number of rounds is measured for the worst-case identity assignment). Finally, we study the node-averaged ID-averaged time-complexity.

This report presents the Prime Collective Communications Library (PCCL), a novel fault-tolerant collective communication library designed for distributed ML workloads over the public internet. PCCL introduces a new programming model that enables dynamic peer joining and failure recovery. The library implements efficient collective operations like all-reduce while providing robust fault tolerance mechanisms that allow the system to continue operating even when peers fail or join during ongoing operations. We demonstrate that PCCL's design enables practical solutions to dynamic membership challenges in workloads with repeated operations and deterministic state advancement. Our implementation passes extensive stress tests across all major operating systems, showing reliable operation even under rapid peer churn and concurrent collective operations. By dispatching to multiple connections, we can efficiently utilize cross-continental long-fat-pipe TCP WAN links, in our experiments achieving up to 45 Gbit/s of bandwidth utilization across Europe and 25 Gbit/s across North America and Europe. PCCL's architecture enables easy implementation of distributed low-communication optimization strategies like DiLoCo, which significantly reduce communication frequency. Combined with quantization, this leads to a significant reduction in the bandwidth required for distributed training workloads. PCCL also allows for concurrent collective operations, which enables optimization strategies like async DiLoCo, which can completely hide communication overhead by implementing one-step delayed parameter updates. PCCL can facilitate exact bit-parity of the shared state across peers in all cases induced by graceful or abrupt peer churn. While PCCL exposes a C99 API, Python bindings are available which are compatible with PyTorch alongside FSDP. PCCL is available under the open source MIT license.

Graph neural networks have recently achieved great successes in predicting quantum mechanical properties of molecules. These models represent a molecule as a graph using only the distance between atoms (nodes). They do not, however, consider the spatial direction from one atom to another, despite directional information playing a central role in empirical potentials for molecules, e.g. in angular potentials. To alleviate this limitation we propose directional message passing, in which we embed the messages passed between atoms instead of the atoms themselves. Each message is associated with a direction in coordinate space. These directional message embeddings are rotationally equivariant since the associated directions rotate with the molecule. We propose a message passing scheme analogous to belief propagation, which uses the directional information by transforming messages based on the angle between them. Additionally, we use spherical Bessel functions and spherical harmonics to construct theoretically well-founded, orthogonal representations that achieve better performance than the currently prevalent Gaussian radial basis representations while using fewer than 1/4 of the parameters. We leverage these innovations to construct the directional message passing neural network (DimeNet). DimeNet outperforms previous GNNs on average by 76% on MD17 and by 31% on QM9. Our implementation is available online.

Developing models capable of complex, multi-step reasoning is a central goal in artificial intelligence. While representing problems as graphs is a powerful approach, Graph Neural Networks (GNNs) are fundamentally constrained by their message-passing mechanism, which imposes a local bottleneck that limits global, holistic reasoning. We argue that dynamic programming (DP), which solves problems by iteratively refining a global state, offers a more powerful and suitable learning paradigm. We introduce FloydNet, a new architecture that embodies this principle. In contrast to local message passing, FloydNet maintains a global, all-pairs relationship tensor and learns a generalized DP operator to progressively refine it. This enables the model to develop a task-specific relational calculus, providing a principled framework for capturing long-range dependencies. Theoretically, we prove that FloydNet achieves 3-WL (2-FWL) expressive power, and its generalized form aligns with the k-FWL hierarchy. FloydNet demonstrates state-of-the-art performance across challenging domains: it achieves near-perfect scores (often >99\%) on the CLRS-30 algorithmic benchmark, finds exact optimal solutions for the general Traveling Salesman Problem (TSP) at rates significantly exceeding strong heuristics, and empirically matches the 3-WL test on the BREC benchmark. Our results establish this learned, DP-style refinement as a powerful and practical alternative to message passing for high-level graph reasoning.

Computing distances and finding shortest paths in massive real-world networks is a fundamental algorithmic task in network analysis. There are two main approaches to solving this task. On one hand are traversal-based algorithms like bidirectional breadth-first search (BiBFS) with no preprocessing step and slow individual distance inquiries. On the other hand are indexing-based approaches, which maintain a large index. This allows for answering individual inquiries very fast; however, index creation is prohibitively expensive. We seek to bridge these two extremes: quickly answer distance inquiries without the need for costly preprocessing. In this work, we propose a new algorithm and data structure, WormHole, for approximate shortest path computations. WormHole leverages structural properties of social networks to build a sublinearly sized index, drawing upon the explicit core-periphery decomposition of Ben-Eliezer et al. Empirically, the preprocessing time of WormHole improves upon index-based solutions by orders of magnitude, and individual inquiries are consistently much faster than in BiBFS. The acceleration comes at the cost of a minor accuracy trade-off. Nonetheless, our empirical evidence demonstrates that WormHole accurately answers essentially all inquiries within a maximum additive error of 2. We complement these empirical results with provable theoretical guarantees, showing that WormHole requires n^{o(1)} node queries per distance inquiry in random power-law networks. In contrast, any approach without a preprocessing step requires n^{Ω(1)} queries for the same task. WormHole does not require reading the whole graph. Unlike the vast majority of index-based algorithms, it returns paths, not just distances. For faster inquiry times, it can be combined effectively with other index-based solutions, by running them only on the sublinear core.

Recent advances in Graph Neural Networks (GNNs) and Graph Transformers (GTs) have been driven by innovations in architectures and Positional Encodings (PEs), which are critical for augmenting node features and capturing graph topology. PEs are essential for GTs, where topological information would otherwise be lost without message-passing. However, PEs are often tested alongside novel architectures, making it difficult to isolate their effect on established models. To address this, we present a comprehensive benchmark of PEs in a unified framework that includes both message-passing GNNs and GTs. We also establish theoretical connections between MPNNs and GTs and introduce a sparsified GRIT attention mechanism to examine the influence of global connectivity. Our findings demonstrate that previously untested combinations of GNN architectures and PEs can outperform existing methods and offer a more comprehensive picture of the state-of-the-art. To support future research and experimentation in our framework, we make the code publicly available.

Multi-round LLM-based multi-agent systems rely on effective communication structures to support collaboration across rounds. However, most existing methods employ a fixed communication topology during inference, which falls short in many realistic applications where the agents' roles may change across rounds due to dynamic adversary, task progression, or time-varying constraints such as communication bandwidth. In this paper, we propose addressing this issue through TodyComm, a task-oriented dynamic communication algorithm. It produces behavior-driven collaboration topologies that adapt to the dynamics at each round, optimizing the utility for the task through policy gradient. Experiments on five benchmarks demonstrate that under both dynamic adversary and communications budgets, TodyComm delivers superior task effectiveness while retaining token efficiency and scalability.

Recent advances in large language model-powered multi-agent systems have demonstrated remarkable collective intelligence through effective communication. However, existing approaches face two primary challenges: (i) Ineffective group collaboration modeling, as they rely on pairwise edge representations in graph structures, limiting their ability to capture relationships among multiple agents; and (ii) Limited task-adaptiveness in communication topology design, leading to excessive communication cost for simple tasks and insufficient coordination for complex scenarios. These issues restrict the scalability and practical deployment of adaptive collaboration frameworks. To address these challenges, we propose HyperAgent, a hypergraph-based framework that optimizes communication topologies and effectively captures group collaboration patterns using direct hyperedge representations. Unlike edge-based approaches, HyperAgent uses hyperedges to link multiple agents within the same subtask and employs hypergraph convolutional layers to achieve one-step information aggregation in collaboration groups. Additionally, it incorporates a variational autoencoder framework with sparsity regularization to dynamically adjust hypergraph topologies based on task complexity. Experiments highlight the superiority of HyperAgent in both performance and efficiency. For instance, on GSM8K, HyperAgent achieves 95.07\% accuracy while reducing token consumption by 25.33\%, demonstrating the potential of hypergraph-based optimization for multi-agent communication.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios in (0,1], and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks. The code is publicly available at https://github.com/hamidralmasi/FlagAggregator

The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication interconnectivity is prohibitively costly, and accessible only to prominent entities. In this work, we aim to lower this barrier and democratize large-scale training with limited bandwidth clusters. We propose a new approach called CO2 that introduces local-updating and asynchronous communication to the distributed data-parallel training, thereby facilitating the full overlap of COmunication with COmputation. CO2 is able to attain a high scalability even on extensive multi-node clusters constrained by very limited communication bandwidth. We further propose the staleness gap penalty and outer momentum clipping techniques together with CO2 to bolster its convergence and training stability. Besides, CO2 exhibits seamless integration with well-established ZeRO-series optimizers which mitigate memory consumption of model states with large model training. We also provide a mathematical proof of convergence, accompanied by the establishment of a stringent upper bound. Furthermore, we validate our findings through an extensive set of practical experiments encompassing a wide range of tasks in the fields of computer vision and natural language processing. These experiments serve to demonstrate the capabilities of CO2 in terms of convergence, generalization, and scalability when deployed across configurations comprising up to 128 A100 GPUs. The outcomes emphasize the outstanding capacity of CO2 to hugely improve scalability, no matter on clusters with 800Gbps RDMA or 80Gbps TCP/IP inter-node connections.

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Multi-Agent Systems (MAS) powered by Large Language Models have unlocked advanced collaborative reasoning, yet they remain shackled by the inefficiency of discrete text communication, which imposes significant runtime overhead and information quantization loss. While latent state transfer offers a high-bandwidth alternative, existing approaches either assume homogeneous sender-receiver architectures or rely on pair-specific learned translators, limiting scalability and modularity across diverse model families with disjoint manifolds. In this work, we propose the Vision Wormhole, a novel framework that repurposes the visual interface of Vision-Language Models (VLMs) to enable model-agnostic, text-free communication. By introducing a Universal Visual Codec, we map heterogeneous reasoning traces into a shared continuous latent space and inject them directly into the receiver's visual pathway, effectively treating the vision encoder as a universal port for inter-agent telepathy. Our framework adopts a hub-and-spoke topology to reduce pairwise alignment complexity from O(N^2) to O(N) and leverages a label-free, teacher-student distillation objective to align the high-speed visual channel with the robust reasoning patterns of the text pathway. Extensive experiments across heterogeneous model families (e.g., Qwen-VL, Gemma) demonstrate that the Vision Wormhole reduces end-to-end wall-clock time in controlled comparisons while maintaining reasoning fidelity comparable to standard text-based MAS. Code is available at https://github.com/xz-liu/heterogeneous-latent-mas

Collaborative perception (CP) is emerging as a promising solution to the inherent limitations of stand-alone intelligence. However, current wireless communication systems are unable to support feature-level and raw-level collaborative algorithms due to their enormous bandwidth demands. In this paper, we propose DiffCP, a novel CP paradigm that utilizes a specialized diffusion model to efficiently compress the sensing information of collaborators. By incorporating both geometric and semantic conditions into the generative model, DiffCP enables feature-level collaboration with an ultra-low communication cost, advancing the practical implementation of CP systems. This paradigm can be seamlessly integrated into existing CP algorithms to enhance a wide range of downstream tasks. Through extensive experimentation, we investigate the trade-offs between communication, computation, and performance. Numerical results demonstrate that DiffCP can significantly reduce communication costs by 14.5-fold while maintaining the same performance as the state-of-the-art algorithm.

Most methods for Personalized PageRank (PPR) precompute and store all accurate PPR vectors, and at query time, return the ones of interest directly. However, the storage and computation of all accurate PPR vectors can be prohibitive for large graphs, especially in caching them in memory for real-time online querying. In this paper, we propose a distributed framework that strikes a better balance between offline indexing and online querying. The offline indexing attains a fingerprint of the PPR vector of each vertex by performing billions of "short" random walks in parallel across a cluster of machines. We prove that our indexing method has an exponential convergence, achieving the same precision with previous methods using a much smaller number of random walks. At query time, the new PPR vector is composed by a linear combination of related fingerprints, in a highly efficient vertex-centric decomposition manner. Interestingly, the resulting PPR vector is much more accurate than its offline counterpart because it actually uses more random walks in its estimation. More importantly, we show that such decomposition for a batch of queries can be very efficiently processed using a shared decomposition. Our implementation, PowerWalk, takes advantage of advanced distributed graph engines and it outperforms the state-of-the-art algorithms by orders of magnitude. Particularly, it responses to tens of thousands of queries on graphs with billions of edges in just a few seconds.

Hierarchical graph pooling(HGP) are designed to consider the fact that conventional graph neural networks(GNN) are inherently flat and are also not multiscale. However, most HGP methods suffer not only from lack of considering global topology of the graph and focusing on the feature learning aspect, but also they do not align local and global features since graphs should inherently be analyzed in a multiscale way. LGRPool is proposed in the present paper as a HGP in the framework of expectation maximization in machine learning that aligns local and global aspects of message passing with each other using a regularizer to force the global topological information to be inline with the local message passing at different scales through the representations at different layers of HGP. Experimental results on some graph classification benchmarks show that it slightly outperforms some baselines.

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

Agentic systems solve complex tasks by coordinating multiple agents that iteratively reason, invoke tools, and exchange intermediate results. To improve robustness and solution quality, recent approaches deploy multiple agent teams running in parallel to explore diverse reasoning trajectories. However, parallel execution comes at a significant computational cost: when different teams independently reason about similar sub-problems or execute analogous steps, they repeatedly perform substantial overlapping computation. To address these limitations, in this paper, we propose Learning to Share (LTS), a learned shared-memory mechanism for parallel agentic frameworks that enables selective cross-team information reuse while controlling context growth. LTS introduces a global memory bank accessible to all teams and a lightweight controller that decides whether intermediate agent steps should be added to memory or not. The controller is trained using stepwise reinforcement learning with usage-aware credit assignment, allowing it to identify information that is globally useful across parallel executions. Experiments on the AssistantBench and GAIA benchmarks show that LTS significantly reduces overall runtime while matching or improving task performance compared to memory-free parallel baselines, demonstrating that learned memory admission is an effective strategy for improving the efficiency of parallel agentic systems. Project page: https://joefioresi718.github.io/LTS_webpage/

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Optimizing communication topology in LLM-based multi-agent system is critical for enabling collective intelligence. Existing methods mainly rely on spatio-temporal interaction paradigms, where the sequential execution of multi-round dialogues incurs high latency and computation. Motivated by the recent insights that evaluation and debate mechanisms can improve problem-solving in multi-agent systems, we propose TopoDIM, a framework for one-shot Topology generation with Diverse Interaction Modes. Designed for decentralized execution to enhance adaptability and privacy, TopoDIM enables agents to autonomously construct heterogeneous communication without iterative coordination, achieving token efficiency and improved task performance. Experiments demonstrate that TopoDIM reduces total token consumption by 46.41% while improving average performance by 1.50% over state-of-the-art methods. Moreover, the framework exhibits strong adaptability in organizing communication among heterogeneous agents. Code is available at: https://anonymous.4open.science/r/TopoDIM-8D35/

For a broad range of research, governmental and commercial applications it is important to understand the allegiances, communities and structure of key players in society. One promising direction towards extracting this information is to exploit the rich relational data in digital social networks (the social graph). As social media data sets are very large, most approaches make use of distributed computing systems for this purpose. Distributing graph processing requires solving many difficult engineering problems, which has lead some researchers to look at single-machine solutions that are faster and easier to maintain. In this article, we present a single-machine real-time system for large-scale graph processing that allows analysts to interactively explore graph structures. The key idea is that the aggregate actions of large numbers of users can be compressed into a data structure that encapsulates user similarities while being robust to noise and queryable in real-time. We achieve single machine real-time performance by compressing the neighbourhood of each vertex using minhash signatures and facilitate rapid queries through Locality Sensitive Hashing. These techniques reduce query times from hours using industrial desktop machines operating on the full graph to milliseconds on standard laptops. Our method allows exploration of strongly associated regions (i.e. communities) of large graphs in real-time on a laptop. It has been deployed in software that is actively used by social network analysts and offers another channel for media owners to monetise their data, helping them to continue to provide free services that are valued by billions of people globally.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

A graph homomorphism is a map between two graphs that preserves adjacency relations. We consider the problem of sampling a random graph homomorphism from a graph into a large network. We propose two complementary MCMC algorithms for sampling random graph homomorphisms and establish bounds on their mixing times and the concentration of their time averages. Based on our sampling algorithms, we propose a novel framework for network data analysis that circumvents some of the drawbacks in methods based on independent and neighborhood sampling. Various time averages of the MCMC trajectory give us various computable observables, including well-known ones such as homomorphism density and average clustering coefficient and their generalizations. Furthermore, we show that these network observables are stable with respect to a suitably renormalized cut distance between networks. We provide various examples and simulations demonstrating our framework through synthetic networks. We also demonstrate the performance of our framework on the tasks of network clustering and subgraph classification on the Facebook100 dataset and on Word Adjacency Networks of a set of classic novels.

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

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.

Graph Neural Networks (GNNs) have shown great potential in the field of graph representation learning. Standard GNNs define a local message-passing mechanism which propagates information over the whole graph domain by stacking multiple layers. This paradigm suffers from two major limitations, over-squashing and poor long-range dependencies, that can be solved using global attention but significantly increases the computational cost to quadratic complexity. In this work, we propose an alternative approach to overcome these structural limitations by leveraging the ViT/MLP-Mixer architectures introduced in computer vision. We introduce a new class of GNNs, called Graph ViT/MLP-Mixer, that holds three key properties. First, they capture long-range dependency and mitigate the issue of over-squashing as demonstrated on Long Range Graph Benchmark and TreeNeighbourMatch datasets. Second, they offer better speed and memory efficiency with a complexity linear to the number of nodes and edges, surpassing the related Graph Transformer and expressive GNN models. Third, they show high expressivity in terms of graph isomorphism as they can distinguish at least 3-WL non-isomorphic graphs. We test our architecture on 4 simulated datasets and 7 real-world benchmarks, and show highly competitive results on all of them. The source code is available for reproducibility at: https://github.com/XiaoxinHe/Graph-ViT-MLPMixer.

Personalized PageRank (PPR) has enormous applications, such as link prediction and recommendation systems for social networks, which often require the fully PPR to be known. Besides, most of real-life graphs are edge-weighted, e.g., the interaction between users on the Facebook network. However, it is computationally difficult to compute the fully PPR, especially on large graphs, not to mention that most existing approaches do not consider the weights of edges. In particular, the existing approach cannot handle graphs with billion edges on a moderate-size cluster. To address this problem, this paper presents a novel study on the computation of fully edge-weighted PPR on large graphs using the distributed computing framework. Specifically, we employ the Monte Carlo approximation that performs a large number of random walks from each node of the graph, and exploits the parallel pipeline framework to reduce the overall running time of the fully PPR. Based on that, we develop several optimization techniques which (i) alleviate the issue of large nodes that could explode the memory space, (ii) pre-compute short walks for small nodes that largely speedup the computation of random walks, and (iii) optimize the amount of random walks to compute in each pipeline that significantly reduces the overhead. With extensive experiments on a variety of real-life graph datasets, we demonstrate that our solution is several orders of magnitude faster than the state-of-the-arts, and meanwhile, largely outperforms the baseline algorithms in terms of accuracy.

We study a new connection between a technical measure called mu-conductance that arises in the study of Markov chains for sampling convex bodies and the network community profile that characterizes size-resolved properties of clusters and communities in social and information networks. The idea of mu-conductance is similar to the traditional graph conductance, but disregards sets with small volume. We derive a sequence of optimization problems including a low-rank semi-definite program from which we can derive a lower bound on the optimal mu-conductance value. These ideas give the first theoretically sound bound on the behavior of the network community profile for a wide range of cluster sizes. The algorithm scales up to graphs with hundreds of thousands of nodes and we demonstrate how our framework validates the predicted structures of real-world graphs.

To mitigate the privacy leakages and communication burdens of Federated Learning (FL), decentralized FL (DFL) discards the central server and each client only communicates with its neighbors in a decentralized communication network. However, existing DFL suffers from high inconsistency among local clients, which results in severe distribution shift and inferior performance compared with centralized FL (CFL), especially on heterogeneous data or sparse communication topology. To alleviate this issue, we propose two DFL algorithms named DFedSAM and DFedSAM-MGS to improve the performance of DFL. Specifically, DFedSAM leverages gradient perturbation to generate local flat models via Sharpness Aware Minimization (SAM), which searches for models with uniformly low loss values. DFedSAM-MGS further boosts DFedSAM by adopting Multiple Gossip Steps (MGS) for better model consistency, which accelerates the aggregation of local flat models and better balances communication complexity and generalization. Theoretically, we present improved convergence rates small Obig(1{KT}+1{T}+1{K^{1/2}T^{3/2}(1-lambda)^2}big) and small Obig(1{KT}+1{T}+lambda^Q+1{K^{1/2}T^{3/2}(1-lambda^Q)^2}big) in non-convex setting for DFedSAM and DFedSAM-MGS, respectively, where 1-lambda is the spectral gap of gossip matrix and Q is the number of MGS. Empirically, our methods can achieve competitive performance compared with CFL methods and outperform existing DFL methods.

Modern cutting-edge AI applications are being developed over fast-evolving, heterogeneous, nascent hardware devices. This requires frequent reworking of the AI software stack to adopt bottom-up changes from new hardware, which takes time for general-purpose software libraries. Consequently, real applications often develop custom software stacks optimized for their specific workloads and hardware. Custom stacks help in quick development and optimization, but incur a lot of redundant efforts across applications in writing non-portable code. This paper discusses an alternative communication library interface for AI applications that offers both portability and performance by reducing redundant efforts while maintaining flexibility for customization. We present MSCCL++, a novel abstraction of GPU communication based on separation of concerns: (1) a primitive interface provides a minimal hardware abstraction as a common ground for software and hardware developers to write custom communication, and (2) higher-level portable interfaces and specialized implementations enable optimization for different workloads and hardware environments. This approach makes the primitive interface reusable across applications while enabling highly flexible optimization. Compared to state-of-the-art baselines (NCCL, RCCL, and MSCCL), MSCCL++ achieves speedups of up to 5.4times for collective communication and up to 15% for real-world AI inference workloads. MSCCL++ is in production of multiple AI services provided by Microsoft Azure, and is also adopted by RCCL, the GPU collective communication library maintained by AMD. MSCCL++ is open-source and available at https://github.com/microsoft/mscclpp.

As large language models from diverse providers converge toward comparable benchmark performance, the traditional paradigm of selecting a single best model per task yields diminishing returns. We argue that orchestration topology -- the structural composition of how multiple agents are coordinated, parallelized, and synthesized -- now dominates system-level performance over individual model capability. We present AdaptOrch, a formal framework for task-adaptive multi-agent orchestration that dynamically selects among four canonical topologies (parallel, sequential, hierarchical, and hybrid) based on task dependency graphs and empirically derived domain characteristics. Our framework introduces three key contributions: (1) a Performance Convergence Scaling Law, formalizing conditions under which orchestration selection outweighs model selection; (2) a Topology Routing Algorithm that maps task decomposition DAGs to optimal orchestration patterns in O(|V| + |E|) time; and (3) an Adaptive Synthesis Protocol with provable termination guarantees and heuristic consistency scoring for parallel agent outputs. We validate AdaptOrch across coding (SWE-bench), reasoning (GPQA), and retrieval-augmented generation tasks, demonstrating that topology-aware orchestration achieves 12-23% improvement over static single-topology baselines, even when using identical underlying models. Our results establish orchestration design as a first-class optimization target independent of model scaling.

We present a novel edge-level ego-network encoding for learning on graphs that can boost Message Passing Graph Neural Networks (MP-GNNs) by providing additional node and edge features or extending message-passing formats. The proposed encoding is sufficient to distinguish Strongly Regular Graphs, a family of challenging 3-WL equivalent graphs. We show theoretically that such encoding is more expressive than node-based sub-graph MP-GNNs. In an empirical evaluation on four benchmarks with 10 graph datasets, our results match or improve previous baselines on expressivity, graph classification, graph regression, and proximity tasks -- while reducing memory usage by 18.1x in certain real-world settings.

Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes. Understanding and mitigating oversquashing has recently received significant attention from the research community. In this paper, we continue this line of work by analyzing oversquashing through the lens of the effective resistance between nodes in the input graph. Effective resistance intuitively captures the ``strength'' of connection between two nodes by paths in the graph, and has a rich literature spanning many areas of graph theory. We propose to use total effective resistance as a bound of the total amount of oversquashing in a graph and provide theoretical justification for its use. We further develop an algorithm to identify edges to be added to an input graph to minimize the total effective resistance, thereby alleviating oversquashing. We provide empirical evidence of the effectiveness of our total effective resistance based rewiring strategies for improving the performance of GNNs.

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and systems are capable of processing networks with hundreds of thousands or a few millions of nodes. However, how to scale them to networks that have tens of millions or even hundreds of millions of nodes remains a challenging problem. In this paper, we propose GraphVite, a high-performance CPU-GPU hybrid system for training node embeddings, by co-optimizing the algorithm and the system. On the CPU end, augmented edge samples are parallelly generated by random walks in an online fashion on the network, and serve as the training data. On the GPU end, a novel parallel negative sampling is proposed to leverage multiple GPUs to train node embeddings simultaneously, without much data transfer and synchronization. Moreover, an efficient collaboration strategy is proposed to further reduce the synchronization cost between CPUs and GPUs. Experiments on multiple real-world networks show that GraphVite is super efficient. It takes only about one minute for a network with 1 million nodes and 5 million edges on a single machine with 4 GPUs, and takes around 20 hours for a network with 66 million nodes and 1.8 billion edges. Compared to the current fastest system, GraphVite is about 50 times faster without any sacrifice on performance.

Complex Query Answering (CQA) over incomplete Knowledge Graphs (KGs) is a challenging task. Recently, a line of message-passing-based research has been proposed to solve CQA. However, they perform unsatisfactorily on negative queries and fail to address the noisy messages between variable nodes in the query graph. Moreover, they offer little interpretability and require complex query data and resource-intensive training. In this paper, we propose a Neural-Symbolic Message Passing (NSMP) framework based on pre-trained neural link predictors. By introducing symbolic reasoning and fuzzy logic, NSMP can generalize to arbitrary existential first order logic queries without requiring training while providing interpretable answers. Furthermore, we introduce a dynamic pruning strategy to filter out noisy messages between variable nodes. Experimental results show that NSMP achieves a strong performance. Additionally, through complexity analysis and empirical verification, we demonstrate the superiority of NSMP in inference time over the current state-of-the-art neural-symbolic method. Compared to this approach, NSMP demonstrates faster inference times across all query types on benchmark datasets, with speedup ranging from 2times to over 150times.

We introduce in this paper the mechanism of graph random features (GRFs). GRFs can be used to construct unbiased randomized estimators of several important kernels defined on graphs' nodes, in particular the regularized Laplacian kernel. As regular RFs for non-graph kernels, they provide means to scale up kernel methods defined on graphs to larger networks. Importantly, they give substantial computational gains also for smaller graphs, while applied in downstream applications. Consequently, GRFs address the notoriously difficult problem of cubic (in the number of the nodes of the graph) time complexity of graph kernels algorithms. We provide a detailed theoretical analysis of GRFs and an extensive empirical evaluation: from speed tests, through Frobenius relative error analysis to kmeans graph-clustering with graph kernels. We show that the computation of GRFs admits an embarrassingly simple distributed algorithm that can be applied if the graph under consideration needs to be split across several machines. We also introduce a (still unbiased) quasi Monte Carlo variant of GRFs, q-GRFs, relying on the so-called reinforced random walks, that might be used to optimize the variance of GRFs. As a byproduct, we obtain a novel approach to solve certain classes of linear equations with positive and symmetric matrices.

The demand for deploying large language models(LLMs) on mobile devices continues to increase, driven by escalating data security concerns and cloud costs. However, network bandwidth and memory limitations pose challenges for deploying billion-level models on mobile devices. In this study, we investigate the outputs of different layers across various scales of LLMs and found that the outputs of most layers exhibit significant similarity. Moreover, this similarity becomes more pronounced as the model size increases, indicating substantial redundancy in the depth direction of the LLMs. Based on this observation, we propose an efficient model volume compression strategy, termed FoldGPT, which combines block removal and block parameter sharing.This strategy consists of three parts: (1) Based on the learnable gating parameters, we determine the block importance ranking while modeling the coupling effect between blocks. Then we delete some redundant layers based on the given removal rate. (2) For the retained blocks, we apply a specially designed group parameter sharing strategy, where blocks within the same group share identical weights, significantly compressing the number of parameters and slightly reducing latency overhead. (3) After sharing these Blocks, we "cure" the mismatch caused by sparsity with a minor amount of fine-tuning and introduce a tail-layer distillation strategy to improve the performance. Experiments demonstrate that FoldGPT outperforms previous state-of-the-art(SOTA) methods in efficient model compression, demonstrating the feasibility of achieving model lightweighting through straightforward block removal and parameter sharing.

We propose a many-sorted modal logic for reasoning about knowledge in multi-agent systems. Our logic introduces a clear distinction between participating agents and the environment. This allows to express local properties of agents and global properties of worlds in a uniform way, as well as to talk about the presence or absence of agents in a world. The logic subsumes the standard epistemic logic and is a conservative extension of it. The semantics is given in chromatic hypergraphs, a generalization of chromatic simplicial complexes, which were recently used to model knowledge in distributed systems. We show that the logic is sound and complete with respect to the intended semantics. We also show a further connection of chromatic hypergraphs with neighborhood frames.

Synthetic data has become increasingly important for training large language models, especially when real data is scarce, expensive, or privacy-sensitive. Many such generation tasks require coordinated multi-agent workflows, where specialized agents collaborate to produce data that is higher quality, more diverse, and structurally richer. However, existing frameworks for multi-agent synthesis often depend on a centralized orchestrator, creating scalability bottlenecks, or are hardcoded for specific domains, limiting flexibility. We present Matrix, a decentralized framework that represents both control and data flow as serialized messages passed through distributed queues. This peer-to-peer design eliminates the central orchestrator. Each task progresses independently through lightweight agents, while compute-intensive operations, such as LLM inference or containerized environments, are handled by distributed services. Built on Ray, Matrix scales to tens of thousands of concurrent agentic workflows and provides a modular, configurable design that enables easy adaptation to a wide range of data generation workflows. We evaluate Matrix across diverse synthesis scenarios, such as multi-agent collaborative dialogue, web-based reasoning data extraction, and tool-use trajectory generation in customer service environments. In all cases, Matrix achieves 2--15times higher data generation throughput under identical hardware resources, without compromising output quality.

This paper re-examines a continuous optimization framework dubbed NOTEARS for learning Bayesian networks. We first generalize existing algebraic characterizations of acyclicity to a class of matrix polynomials. Next, focusing on a one-parameter-per-edge setting, it is shown that the Karush-Kuhn-Tucker (KKT) optimality conditions for the NOTEARS formulation cannot be satisfied except in a trivial case, which explains a behavior of the associated algorithm. We then derive the KKT conditions for an equivalent reformulation, show that they are indeed necessary, and relate them to explicit constraints that certain edges be absent from the graph. If the score function is convex, these KKT conditions are also sufficient for local minimality despite the non-convexity of the constraint. Informed by the KKT conditions, a local search post-processing algorithm is proposed and shown to substantially and universally improve the structural Hamming distance of all tested algorithms, typically by a factor of 2 or more. Some combinations with local search are both more accurate and more efficient than the original NOTEARS.

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

Manipulating objects with varying geometries and deformable objects is a major challenge in robotics. Tasks such as insertion with different objects or cloth hanging require precise control and effective modelling of complex dynamics. In this work, we frame this problem through the lens of a heterogeneous graph that comprises smaller sub-graphs, such as actuators and objects, accompanied by different edge types describing their interactions. This graph representation serves as a unified structure for both rigid and deformable objects tasks, and can be extended further to tasks comprising multiple actuators. To evaluate this setup, we present a novel and challenging reinforcement learning benchmark, including rigid insertion of diverse objects, as well as rope and cloth manipulation with multiple end-effectors. These tasks present a large search space, as both the initial and target configurations are uniformly sampled in 3D space. To address this issue, we propose a novel graph-based policy model, dubbed Heterogeneous Equivariant Policy (HEPi), utilizing SE(3) equivariant message passing networks as the main backbone to exploit the geometric symmetry. In addition, by modeling explicit heterogeneity, HEPi can outperform Transformer-based and non-heterogeneous equivariant policies in terms of average returns, sample efficiency, and generalization to unseen objects. Our project page is available at https://thobotics.github.io/hepi.

GossipSub is a popular new peer-to-peer network protocol designed to disseminate messages quickly and efficiently by allowing peers to forward the full content of messages only to a dynamically selected subset of their neighboring peers (mesh neighbors) while gossiping about messages they have seen with the rest. Peers decide which of their neighbors to graft or prune from their mesh locally and periodically using a score for each neighbor. Scores are calculated using a score function that depends on mesh-specific parameters, weights and counters relating to a peer's performance in the network. Since a GossipSub network's performance ultimately depends on the performance of its peers, an important question arises: Is the score calculation mechanism effective in weeding out non-performing or even intentionally misbehaving peers from meshes? We answered this question in the negative in our companion paper by reasoning about GossipSub using our formal, official and executable ACL2s model. Based on our findings, we synthesized and simulated attacks against GossipSub which were confirmed by the developers of GossipSub, FileCoin, and Eth2.0, and publicly disclosed in MITRE CVE-2022-47547. In this paper, we present a detailed description of our model. We discuss design decisions, security properties of GossipSub, reasoning about the security properties in context of our model, attack generation and lessons we learnt when writing it.

Teamwork in workspace for complex tasks requires diverse communication strategies, but current multi-agent LLM systems lack systematic frameworks for task oriented communication. We introduce Communication to Completion (C2C), a scalable framework that addresses this gap through two key innovations: (1) the Alignment Factor (AF), a novel metric quantifying agent task alignment that directly impacts work efficiency, and (2) a Sequential Action Framework that integrates stepwise execution with intelligent communication decisions. C2C enables agents to make cost aware communication choices, dynamically improving task understanding through targeted interactions. We evaluated C2C on realistic coding workflows across three complexity tiers and team sizes from 5 to 17 agents, comparing against no communication and fixed steps baselines. The results show that C2C reduces the task completion time by about 40% with acceptable communication costs. The framework completes all tasks successfully in standard configurations and maintains effectiveness at scale. C2C establishes both a theoretical foundation for measuring communication effectiveness in multi-agent systems and a practical framework for complex collaborative tasks.

Large-language models (LLMs) have demonstrated powerful problem-solving capabilities, in particular when organized in multi-agent systems. However, the advent of such systems also raises several questions on the ability of a complex network of agents to effectively self-organize and collaborate. While measuring performance on standard reasoning benchmarks indicates how well multi-agent systems can solve reasoning tasks, it is unclear whether these systems are able to leverage their topology effectively. Here, we propose AgentsNet, a new benchmark for multi-agent reasoning. By drawing inspiration from classical problems in distributed systems and graph theory, AgentsNet measures the ability of multi-agent systems to collaboratively form strategies for problem-solving, self-organization, and effective communication given a network topology. We evaluate a variety of baseline methods on AgentsNet including homogeneous networks of agents which first have to agree on basic protocols for organization and communication. We find that some frontier LLMs are already demonstrating strong performance for small networks but begin to fall off once the size of the network scales. While existing multi-agent benchmarks cover at most 2-5 agents, AgentsNet is practically unlimited in size and can scale with new generations of LLMs. As such, we also probe frontier models in a setup with up to 100 agents.

We show that for all functions t(n) geq n, every multitape Turing machine running in time t can be simulated in space only O(t log t). This is a substantial improvement over Hopcroft, Paul, and Valiant's simulation of time t in O(t/log t) space from 50 years ago [FOCS 1975, JACM 1977]. Among other results, our simulation implies that bounded fan-in circuits of size s can be evaluated on any input in only s cdot poly(log s) space, and that there are explicit problems solvable in O(n) space which require n^{2-varepsilon} time on a multitape Turing machine for all varepsilon > 0, thereby making a little progress on the P versus PSPACE problem. Our simulation reduces the problem of simulating time-bounded multitape Turing machines to a series of implicitly-defined Tree Evaluation instances with nice parameters, leveraging the remarkable space-efficient algorithm for Tree Evaluation recently found by Cook and Mertz [STOC 2024].

Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.