#01Nov 6, 2026
cs.LG
Scaling Graph Similarity Learning with Graph Neural Networks
Ahmet Tüzen, Helge Langseth, Kjetil Nørvåg
Graph similarity computation is an important task in graph mining with many real-world applications, such as chemical compound analysis, program dependence comparison, and social network analysis. The problem is computationally challenging: Graph Edit Distance (GED) and Maximum Common Subgraph (MCS), which quantify the distance between graphs and identify their largest shared subgraph, respectively, are NP-hard to compute exactly. To address these computational challenges, Graph Neural Networks (GNNs) have been applied to this problem. However, existing GNN-based approaches have primarily focused on small-scale graph datasets, while scalability to larger scales remains underexplored. In this work, we propose FiLSim, a scalable GNN-based framework, and investigate whether a simplified GNN pipeline can maintain competitive performance on standard benchmarks while scaling to large graphs. We additionally propose a sequential graph-editing strategy to construct large-scale graph datasets with reliable GED labels to evaluate scalability. The proposed framework is evaluated on four benchmark datasets and four newly created large-scale datasets, demonstrating its effectiveness and scalability. FiLSim remains accurate on graphs with more than 150{,}000 nodes, where the baseline methods run out of memory or fail to learn, and scores all test pairs within seconds on a single GPU.
#02Nov 6, 2026
quant-ph
Discovering formally verified quantum programs with AI
Sergey Shirobokov, Ben Jaderberg, Katerina Hristova and 22 more
The timeline by which quantum computers can solve breakthrough problems in science depends on improved quantum algorithms as much as on better hardware. Such algorithmic advances are typically achieved through many years of expert human collaboration. In mathematics and computer science, large language models have accelerated progress through automated discovery loops. However, quantum algorithms can only be evaluated by classical computers on restricted or small instances. Here we demonstrate automated discovery of quantum programs beyond these regimes including order-of-magnitude improvements on scientific applications. To achieve this, we build a quantum program library in the Lean theorem prover in which large language model agents synthesize novel programs against formal problem specifications and verify their correctness and cost. Agent teams collaborate, sharing results and knowledge through wikis and discussing ideas at organized conferences. Our results improve on prior baselines for parallel search (up to 1.4x), quantum arithmetic (290x), and simulations relevant to fusion, photochemistry and drug-metabolism by 11x, 8x and 2.5x respectively. Combining human and artificial intelligence at scale, under the rigor of mathematical proof, lets researchers design algorithms that today's classical and quantum computers cannot test, shortening the path to practical quantum computation.
#03Nov 6, 2026
cs.CL
ROSE: Risk-Aware Orthogonal Subspace Navigation for Lifelong Knowledge Editing in Multimodal Large Language Models
Lingyun Song, Ziyao Chen, Kang Pan and 5 more
Multimodal Large Language Models (MLLMs) require continuous factual updates to stay current, yet lifelong knowledge editing remains a daunting challenge. The primary obstacle is the severe Locality Erosion and Catastrophic Forgetting, where sequential edits inevitably interfere with pre-trained capabilities and prior updates. In this paper, we propose \textbf{ROSE}, a \textbf{R}isk-aware \textbf{O}rthogonal \textbf{S}ubspace navigation framework for lifelong knowledge \textbf{E}diting. ROSE addresses forgetting by aiming to restrict parameter updates to the orthogonal complement of previously edited subspaces. Crucially, it introduces a risk-guided mechanism that utilizes a dynamically computed risk mask to safeguard specific factual parameter subspaces essential for model stability. During inference, ROSE employs a multi-granularity knowledge integration strategy, featuring prototype-anchored semantic gating and perturbation-driven subspace fusion to precisely activate edited knowledge for relevant queries while limiting interference on unrelated inputs. Comprehensive experiments on two prominent multimodal benchmarks show that ROSE is competitive with state-of-the-art approaches across five key metrics, while maintaining outstanding stability over $1,000$ sequential updates. Our code is available at https://github.com/sunlitsong/ROSE.
#04Nov 6, 2026
hep-lat
Machine learning for lattice QCD
Gurtej Kanwar, Scott Lawrence, Alessandro Nada and 1 more
Machine learning (ML) methods have been explored as a means of optimizing lattice field theory calculations, with increasing interest in recent years. This chapter gives an introduction and summary to the use of ML methods to optimize lattice field theory without introducing any uncontrolled approximations. We focus on those directions which are clearly established as of late 2025, marking the 50th anniversary of the beginning of the study of lattice gauge theory. This chapter is a contribution to the online book ``Lattice QCD at 50 years,'' (LQCD@50), edited by Tanmoy Bhattacharya, Maarten Golterman, Rajan Gupta, Laurent Lellouch, and Steve Sharpe.
#05Nov 6, 2026
cs.AI
Knowing When to Intervene: Causal Evaluation of AI Agents
Ayush Sawarni, Wenqian Xing, Tijana Zrnic and 2 more
Current evaluations of agentic AI systems primarily rely on benchmarks. However, the static nature of benchmarks makes them uninformative about the value of auditing interventions at deployment time. For reliable deployment, we often need to determine within an agent's trajectory whether or not to intervene, e.g., by verifying the agent's current output or steering it toward different behavior, using either human review or more costly models or time-consuming agentic supervision. The value of such interventions is fundamentally a causal inference question, asking whether the causal effect of such an intervention is beneficial for the final outcome. Estimating this causal effect is particularly challenging due to the dynamic nature of the problem: the impact of an intervention depends on the current context and environment, as well as the agent's future behavior. We develop the first methodologically grounded framework for evaluating the causal effects of randomized interventions within agent trajectories. By leveraging a relatively small dataset of agent trajectories collected under randomized interventions such as verification or screening, we can estimate the dynamic causal effect of a rich class of (contextual) intervention policies. The structural parameters that we estimate can also be used to construct safety leaderboards that capture the risk of various agentic actions, which can be used by practitioners for audit prioritization. Applying our methods to tau-bench Retail, ToolSandbox, and ImpossibleBench, we find that intervention effects vary substantially across agent actions and states. More broadly, our work suggests a rich research agenda at the intersection of causal inference and agentic evaluation, which we believe is essential for the reliable and safe deployment of AI agents in the real world.