#01Nov 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.
#02Nov 6, 2026
cs.AI
CPU-ARC: Agentic Reasoning Caching for on-CPU Reasoning Reuse
Peter Belcak, Greg Heinrich, Saurav Muralidharan and 2 more
Large language models reinvent the wheel all the time. They conflate task-solving with the execution of the solutions, which forces them to solve every problem from scratch. We show that once a task has been reasoned through, the application of its solution to a new problem instance can be done very efficiently and with little involvement from language models. We introduce agentic reasoning caching, a method for constructing robust CPU-executable agentic reasoning caches (ARCs) from LLM reasoning traces. ARCs show on-par performance with frontier LLMs across a range of difficult mathematical and scientific tasks, are fully explainable, continually trainable, robust to input perturbations, and 16-291x cheaper to invoke than the source model.
#03Nov 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.
#04Nov 6, 2026
cs.AI
Assessing the Impact of Retrieval-Augmented Generation on Algorithmic Problem-Solving
Gabriel Souza Baggio, Gabriel Machado Lunardi, Guilherme Medeiros Machado and 3 more
Competitive programming problems pose distinctive challenges for Large Language Models, as they demand not only proficient code generation but also advanced algorithmic reasoning. This study presents a Retrieval-Augmented Generation approach specifically designed to enhance the capacity of Large Language Models to address such problems. Our approach integrates an embedding-based retrieval mechanism and a similarity search algorithm to identify analogous problems within a knowledge database, employing a dynamically adjusted threshold to mitigate retrieval noise. We conducted an evaluation using the CodeContests dataset, focusing on the test split problems that exhibit similarity to instances from the training split. The experimental framework considered three conditions: (i) problems provided solely with their original descriptions, (ii) problems supplemented with randomly selected examples from the training split, and (iii) problems augmented with similar examples retrieved through the proposed method. In addition, we incorporated a Min-K membership inference analysis to examine whether the generated code solutions were influenced by potential memorization of training data within the evaluated Large Language Models. This complementary perspective enables a deeper understanding of model behavior by distinguishing genuine generalization through retrieval from implicit recall of pretraining samples. Performance was assessed using both pass rates and the CodeForces Elo rating of the problems. The results provide empirical evidence that similarity-based retrieval substantially enhances Large Language Models performance in competitive programming scenarios, offering an scalable framework for improving code generation in algorithmic problem-solving contexts.
#05Nov 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.