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Diffusion models have gained attention for their ability to represent complex distributions and incorporate uncertainty, making them ideal for robust predictions in the presence of noisy or incomplete data. In this study, we develop and…

Machine Learning · Computer Science 2024-11-05 Yilin Zhuang , Sibo Cheng , Karthik Duraisamy

Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…

Physical imaging is a foundational characterization method in areas from condensed matter physics and chemistry to astronomy and spans length scales from atomic to universe. Images encapsulate crucial data regarding atomic bonding,…

Crystal dislocation dynamics, especially at high temperatures, represents a subject where experimental phenomenological input is commonly required, and parameter-free predictions, starting from quantum methods, have been beyond reach. This…

We report the development and implementation of a hypothesis learning based automated experiment, in which the microscope operating in the autonomous mode identifies the physical laws behind the material's response. Specifically, we explore…

Video diffusion alignment has been heavily relied on scalar rewards. These rewards are typically derived from learned reward models in human preference datasets, requiring additional training and extensive collection. Moreover, scalar…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yifan Wang , Yanyu Li , Gordon Guocheng Qian , Sergey Tulyakov , Yun Fu , Anil Kag

We introduce a principled probabilistic framework for reward-guided decoding in large language models, addressing the limitations of standard decoding methods that optimize token-level likelihood rather than sequence-level quality. Our…

Machine Learning · Computer Science 2026-04-21 Jelena Markovic-Voronov , Wenhui Zhu , Bo Long , Zhipeng Wang , Suyash Gupta , Kayhan Behdin , Bee-Chung Chen , Deepak Agarwal

Glioblastoma is profoundly heterogeneous in regional microstructure and vasculature. Characterizing the spatial heterogeneity of glioblastoma could lead to more precise treatment. With unsupervised learning techniques, glioblastoma…

Machine Learning · Computer Science 2021-08-24 Yifan Li , Chao Li , Yiran Wei , Stephen Price , Carola-Bibiane Schönlieb , Xi Chen

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

We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world…

Finding a low dimensional parametric representation of measured BRDF remains challenging. Currently available solutions are either not interpretable, or rely on limited analytical solutions, or require expensive test subject based…

Graphics · Computer Science 2022-08-09 Alexis Benamira , Sachin Shah , Sumanta Pattanaik

Reinforcement learning provides an automated framework for learning behaviors from high-level reward specifications, but in practice the choice of reward function can be crucial for good results -- while in principle the reward only needs…

Machine Learning · Computer Science 2022-10-19 Abhishek Gupta , Aldo Pacchiano , Yuexiang Zhai , Sham M. Kakade , Sergey Levine

Next-generation particle accelerators demand advanced beam-diagnostic capabilities to ensure high performance, operational reliability, and sustainable machine operation. Increasing beam intensities and stored energies make the precise…

Accelerator Physics · Physics 2026-03-10 Francis René Osswald , Mohammed Chahbaoui , Xinyi Liang

Unsupervised reinforcement learning (RL) has emerged as a promising paradigm for enabling self-improvement in large language models (LLMs). However, existing unsupervised RL-based methods often lack the capacity to adapt to the model's…

Computation and Language · Computer Science 2026-05-08 Yiming Huang , Zhenbo Shi , Xin-Cheng Wen , Jichuan Zeng , Cuiyun Gao , Peiyi Han , Chuanyi Liu

We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The framework can predict potential ferroelectric compounds…

Polarization in ferroelectric domains arises from atomic-scale structural variations that govern macroscopic functionalities. The interfaces between these domains known as domain walls host distinct physical responses, making their…

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

The global demand for unconventional energy sources such as geothermal energy and white hydrogen requires new exploration techniques for precise subsurface structure characterization and potential reservoir identification. The…

Geophysics · Physics 2025-01-15 Paul Goyes-Peñafiel , Umair bin Waheed , Henry Arguello

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

Two-dimensional (2D) in-plane heterostructures including compositionally graded alloys and lateral heterostructures with defined interfaces display rich optoelectronic properties and offer versatile platforms to explore one-dimensional…

Materials Science · Physics 2025-11-14 Maninder Kaur , Nicolas T. Sandino , Jason P. Terry , Mahdi Ghafariasl , Yohannes Abate
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