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Achieving chemical accuracy in quantum simulations is often constrained by the measurement bottleneck: estimating operators requires a large number of shots, which remains costly even on fault-tolerant devices and is further exacerbated on…

Quantum Physics · Physics 2025-09-22 Isaac L. Huidobro-Meezs , Jun Dai , Rodrigo A. Vargas-Hernández

Due to limited resources and fast economic growth, designing optimal transportation road networks with traffic simulation and validation in a cost-effective manner is vital for developing countries, where extensive manual testing is…

Artificial Intelligence · Computer Science 2023-10-06 Zarif Ikram , Ling Pan , Dianbo Liu

Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects…

Machine Learning · Computer Science 2024-03-15 Marco Jiralerspong , Bilun Sun , Danilo Vucetic , Tianyu Zhang , Yoshua Bengio , Gauthier Gidel , Nikolay Malkin

GFlowNets have exhibited promising performance in generating diverse candidates with high rewards. These networks generate objects incrementally and aim to learn a policy that assigns probability of sampling objects in proportion to…

Machine Learning · Computer Science 2024-06-11 George Ma , Emmanuel Bengio , Yoshua Bengio , Dinghuai Zhang

Unitary Synthesis, the decomposition of a unitary matrix into a sequence of quantum gates, is a fundamental challenge in quantum compilation. Prevailing reinforcement learning (RL) approaches are often hampered by sparse reward signals,…

Quantum Physics · Physics 2026-03-05 Inhoe Koo , Hyunho Cha , Jungwoo Lee

Designing mRNA sequences is a major challenge in developing next-generation therapeutics, since it involves exploring a vast space of possible nucleotide combinations while optimizing sequence properties like stability, translation…

Machine Learning · Computer Science 2025-10-07 Aya Laajil , Abduragim Shtanchaev , Sajan Muhammad , Eric Moulines , Salem Lahlou

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule…

Accurately modeling complex dynamic spatio-temporal systems requires capturing flow-mediated interdependencies and context-sensitive interaction dynamics. Existing methods, predominantly graph-based or attention-driven, rely on…

Machine Learning · Computer Science 2025-11-11 Yutong Feng , Xu Liu , Yutong Xia , Yuxuan Liang

Recent advancement in generative models have demonstrated remarkable performance across various data modalities. Beyond their typical use in data synthesis, these models play a crucial role in distribution matching tasks such as latent…

Machine Learning · Computer Science 2025-08-19 Sagar Shrestha , Rajesh Shrestha , Tri Nguyen , Subash Timilsina

A critical component of the current generation of language models is preference alignment, which aims to precisely control the model's behavior to meet human needs and values. The most notable among such methods is Reinforcement Learning…

Artificial Intelligence · Computer Science 2024-10-22 Oh Joon Kwon , Daiki E. Matsunaga , Kee-Eung Kim

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

Effective robot navigation in unseen environments is a challenging task that requires precise control actions at high frequencies. Recent advances have framed it as an image-goal-conditioned control problem, where the robot generates…

Generative control policies have recently unlocked major progress in robotics. These methods produce action sequences via diffusion or flow matching, with training data provided by demonstrations. But existing methods come with two key…

Robotics · Computer Science 2026-03-09 Vince Kurtz , Joel W. Burdick

Fine-tuning flow matching models is a central challenge in settings with limited data, evolving distributions, or strict efficiency demands, where unconstrained fine-tuning can erode the accuracy and efficiency gains learned during…

Machine Learning · Computer Science 2026-02-02 Gudrun Thorkelsdottir , Arindam Banerjee

Meta-Reinforcement learning approaches aim to develop learning procedures that can adapt quickly to a distribution of tasks with the help of a few examples. Developing efficient exploration strategies capable of finding the most useful…

Machine Learning · Computer Science 2019-11-12 Swaminathan Gurumurthy , Sumit Kumar , Katia Sycara

Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

Foundational language models show a remarkable ability to learn new concepts during inference via context data. However, similar work for images lag behind. To address this challenge, we introduce FLoWN, a flow matching model that learns to…

Machine Learning · Computer Science 2025-04-22 Daniel Saragih , Deyu Cao , Tejas Balaji , Ashwin Santhosh

Performative Drift is a special type of Concept Drift that occurs when a model's predictions influence the future instances the model will encounter. In these settings, retraining is not always feasible. In this work, we instead focus on…

Machine Learning · Computer Science 2025-04-03 Maciej Makowski , Brandon Gower-Winter , Georg Krempl

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

Machine Learning · Computer Science 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

We study reinforcement learning for controlled diffusion processes with unbounded continuous state spaces, bounded continuous actions, and polynomially growing rewards: settings that arise naturally in finance, economics, and operations…

Machine Learning · Computer Science 2025-12-18 Hanqing Jin , Renyuan Xu , Yanzhao Yang
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