Optimizing accelerator control is a critical challenge in experimental particle physics, requiring significant manual effort and resource expenditure. Traditional tuning methods are often time-consuming and reliant on expert input, highlighting the need for more efficient approaches. This study aims to create a simulation-based framework integrated with Reinforcement Learning (RL) to address these challenges. Using \texttt{Elegant} as the simulation backend, we developed a Python wrapper that simplifies the interaction between RL algorithms and accelerator simulations, enabling seamless input management, simulation execution, and output analysis. The proposed RL framework acts as a co-pilot for physicists, offering intelligent suggestions to enhance beamline performance, reduce tuning time, and improve operational efficiency. As a proof of concept, we demonstrate the application of our RL approach to an accelerator control problem and highlight the improvements in efficiency and performance achieved through our methodology. We discuss how the integration of simulation tools with a Python-based RL framework provides a powerful resource for the accelerator physics community, showcasing the potential of machine learning in optimizing complex physical systems.

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion (VISION) by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an X-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instrument and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex -- a synthetic extension to the cognition of scientists -- may radically transform scientific practice and discovery.

Synchrotron radiation sources play a crucial role in fields such as materials science, biology, and chemistry. The beamline, a key subsystem of the synchrotron, modulates and directs the radiation to the sample for analysis. However, the alignment of beamlines is a complex and time-consuming process, primarily carried out manually by experienced engineers. Even minor misalignments in optical components can significantly affect the beam's properties, leading to suboptimal experimental outcomes. Current automated methods, such as bayesian optimization (BO) and reinforcement learning (RL), although these methods enhance performance, limitations remain. The relationship between the current and target beam properties, crucial for determining the adjustment, is not fully considered. Additionally, the physical characteristics of optical elements are overlooked, such as the need to adjust specific devices to control the output beam's spot size or position. This paper addresses the alignment of beamlines by modeling it as a Markov Decision Process (MDP) and training an intelligent agent using RL. The agent calculates adjustment values based on the current and target beam states, executes actions, and iterates until optimal parameters are achieved. A policy network with action attention is designed to improve decision-making by considering both state differences and the impact of optical components. Experiments on two simulated beamlines demonstrate that our algorithm outperforms existing methods, with ablation studies highlighting the effectiveness of the action attention-based policy network.

Machine learning techniques are being increasingly applied in medical and physical sciences across a variety of imaging modalities; however, an important issue when developing these tools is the availability of good quality training data. Here we present a unique, multimodal synchrotron dataset of a bespoke zinc-doped Zeolite 13X sample that can be used to develop advanced deep learning and data fusion pipelines. Multi-resolution micro X-ray computed tomography was performed on a zinc-doped Zeolite 13X fragment to characterise its pores and features, before spatially resolved X-ray diffraction computed tomography was carried out to characterise the homogeneous distribution of sodium and zinc phases. Zinc absorption was controlled to create a simple, spatially isolated, two-phase material. Both raw and processed data is available as a series of Zenodo entries. Altogether we present a spatially resolved, three-dimensional, multimodal, multi-resolution dataset that can be used for the development of machine learning techniques. Such techniques include development of super-resolution, multimodal data fusion, and 3D reconstruction algorithm development.

Beam steering involves the calibration of the angle and position at which a particle accelerator's electron beam is incident upon the x-ray target with respect to the rotation axis of the collimator. Beam Steering is an essential task for light sources. The Linac To Undulator is very difficult to steer and aim due to the changes of each use of the accelerator there must be re-calibration of magnets. However with each use of the Beamline its current method of steering runs into issues when faced with calibrating angles and positions. Human operators spend a substantial amount of time and resources on the task. We developed multiple different feed-forward-neural networks with varying hyper-parameters, inputs, and outputs, seeking to compare their performance. Specifically, our smaller models with 33 inputs and 13 outputs outperformed the larger models with 73 inputs and 50 outputs. We propose the following explanations for this lack of performance in larger models. First, a lack of training time and computational power limited the ability of our models to mature. Given more time, our models would outperform SVD. Second, when the input size of the model increases the noise increases as well. In this case more inputs corresponded to a greater length upon the LINAC accelerator. Less specific and larger models that seek to make more predictions will inherently perform worse than SVD.

Aligning beamlines at synchrotron light sources is a high-dimensional, expensive-to-sample optimization problem, as beams are focused using a series of dynamic optical components. Bayesian Optimization is an efficient machine learning approach to finding global optima of beam quality, but the model can easily be impaired by faulty data points caused by the beam going off the edge of the sensor or by background noise. This study, conducted at the National Synchrotron Light Source II (NSLS-II) facility at Brookhaven National Laboratory (BNL), is an investigation of methods to identify untrustworthy readings of beam quality and discourage the optimization model from seeking out points likely to yield low-fidelity beams. The approaches explored include dynamic pruning using loss analysis of size and position models and a lengthscale-based genetic algorithm to determine which points to include in the model for optimal fit. Each method successfully classified high and low fidelity points. This research advances BNL's mission to tackle our nation's energy challenges by providing scientists at all beamlines with access to higher quality beams, and faster convergence to these optima for their experiments.

The extraordinarily high X-ray flux and specialized instrumentation at synchrotron beamlines have enabled versatile in-situ and high throughput studies that are impossible elsewhere. Dexterous and efficient control of experiments are thus crucial for efficient beamline operation. Artificial intelligence and machine learning methods are constantly being developed to enhance facility performance, but the full potential of these developments can only be reached with efficient human-computer-interaction. Natural language is the most intuitive and efficient way for humans to communicate. However, the low credibility and reproducibility of existing large language models and tools demand extensive development to be made for robust and reliable performance for scientific purposes. In this work, we introduce the prototype of virtual scientific companion (VISION) and demonstrate that it is possible to control basic beamline operations through natural language with open-source language model and the limited computational resources at beamline. The human-AI nature of VISION leverages existing automation systems and data framework at synchrotron beamlines.

Recently, there has been significant interest in applying machine learning (ML) techniques to X-ray scattering experiments, which proves to be a valuable tool for enhancing research that involves large or rapidly generated datasets. ML allows for the automated interpretation of experimental results, particularly those obtained from synchrotron or neutron facilities. The speed at which ML models can process data presents an important opportunity to establish a closed-loop feedback system, enabling real-time decision-making based on online data analysis. In this study, we describe the incorporation of ML into a closed-loop workflow for X-ray reflectometry (XRR), using the growth of organic thin films as an example. Our focus lies on the beamline integration of ML-based online data analysis and closed-loop feedback. We present solutions that provide an elementary data analysis in real time during the experiment without introducing the additional software dependencies in the beamline control software environment. Our data demonstrates the accuracy and robustness of ML methods for analyzing XRR curves and Bragg reflections and its autonomous control over a vacuum deposition setup.

Understanding and control of Laser-driven Free Electron Lasers remain to be difficult problems that require highly intensive experimental and theoretical research. The gap between simulated and experimentally collected data might complicate studies and interpretation of obtained results. In this work we developed a deep learning based surrogate that could help to fill in this gap. We introduce a surrogate model based on normalising flows for conditional phase-space representation of electron clouds in a FEL beamline. Achieved results let us discuss further benefits and limitations in exploitability of the models to gain deeper understanding of fundamental processes within a beamline.

Scientists at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory have successfully demonstrated that autonomous methods can discover new materials. The artificial intelligence (AI)-driven technique led to the discovery of three new nanostructures, including a first-of-its-kind nanoscale "ladder." The research was published today in Science Advances.. The newly discovered structures were formed by a process called self-assembly, in which a material's molecules organize themselves into unique patterns. Scientists at Brookhaven's Center for Functional Nanomaterials (CFN) are experts at directing the self-assembly process, creating templates for materials to form desirable arrangements for applications in microelectronics, catalysis, and more.