A VISION for an AI Lab Partner

Brookhaven Lab team pioneers interactive virtual companion to accelerate discoveries at scientific user facilities

UPTON, N.Y. — A team of scientists at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have dreamed up, developed, and tested a novel voice-controlled artificial intelligence (AI) assistant designed to break down everyday barriers for busy scientists. 

Known as the Virtual Scientific Companion, or VISION, the generative AI tool – developed by researchers at the Lab’s Center for Functional Nanomaterials (CFN) with support from experts at the National Synchrotron Light Source II (NSLS-II) — offers an opportunity to bridge knowledge gaps at complex instruments, carry out more efficient experiments, save scientists’ time, and overall, accelerate scientific discovery.

The idea is that a user simply has to tell VISION in plain language what they’d like to do at an instrument and the AI companion, tailored to that instrument, will take on the task — whether it’s running an experiment, launching data analysis, or visualizing results. The Brookhaven team recently shared details about VISION in a paper published in Machine Learning: Science and Technology.

“I’m really excited about how AI can impact science and it’s something we as the scientific community should definitely explore,” said Esther Tsai, a scientist in the AI-Accelerated Nanoscience group at CFN. “What we can’t deny is that brilliant scientists spend a lot of time on routine work. VISION acts as  an assistant that scientists and users can talk to for answers to basic questions about the instrument capability and operation.”

VISION highlights the close partnership between CFN and NSLS-II, two DOE Office of Science user facilities at Brookhaven Lab. Together they collaborate with facility users on the setup, scientific planning, and analysis of data from experiments at three NSLS-II beamlines, highly specialized measurement tools that enable researchers to explore the structure of materials using beams of X-rays.

Tsai, inspired to alleviate bottlenecks that come with using NSLS-II’s in-demand beamlines, received a DOE Early Career Award in 2023 to develop this new concept. Tsai now leads the CFN team behind VISION, which has collaborated with NSLS-II beamline scientists to launch and test the system at the Complex Materials Scattering (CMS) beamline at NSLS-II, demonstrating the first voice-controlled experiment at an X-ray scattering beamline and marking progress towards the world of AI-augmented discovery.

“At Brookhaven Lab, we’re not only leading in researching this frontier scientific virtual companion concept, we’re also being hands-on, deploying this AI technique on the experimental floor at NSLS-II and exploring how it can be useful to users,” Tsai said.

Talking to AI for flexible workflows

VISION leverages the growing capabilities of large language models (LLMs), the technology at the heart of popular AI assistants such as ChatGPT.

An LLM is an expansive program that creates text modeled on natural human language. VISION exploits this concept, not just to generate text for answering questions but also to generate decisions about what to do and computer code to drive an instrument. Internally, VISION is organized into multiple “cognitive blocks,” or cogs, each comprising an LLM that handles a specific task. Multiple cogs can be put together to form a capable assistant, with the cogs carrying out work transparently for the scientist.

“A user can just go to the beamline and say, ‘I want to select certain detectors’ or ‘I want to take a measurement every minute for five seconds’ or ‘I want to increase the temperature’ and VISION will translate that command into code,” Tsai said.

Those examples of natural language inputs, whether speech, text, or both, are first fed to VISION’s “classifier” cog, which decides what type of task the user is asking about. The classifier routes to the right cog for the task, such as an “operator” cog for instrument control or “analyst” cog for data analysis.

Then, in just a few seconds, the system translates the input into code that’s passed back to the beamline workstation, which the user can review before executing. On the back end, everything is being run on “HAL,” a CFN server optimized for running AI workloads on graphics processing units.

Read more on BNL website

Image: VISION aims to lead the natural-language-controlled scientific expedition with joint human-AI force for accelerated scientific discovery at user facilities.

Credit: Brookhaven National Laboratory

Do Robots Dream of Electron Beams?

NSLS-II scientists are changing how many experiments run by employing a coordinated team of AI-powered robots

UPTON, N.Y. — To build the experimental stations of the future, scientists at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science user facility at DOE’s Brookhaven National Laboratory, are learning from some of the challenges that face them today. As light source technologies and capabilities continue to advance, researchers must navigate increasingly complex workflows and swiftly evolving experimental demands.

To meet these challenges, a team of NSLS-II scientists is training a team of AI-driven collaborative robots. These agile, adaptable systems are being developed to quickly shift between tasks, adjust to different experimental setups, and respond autonomously to real-time data. By taking on work using learning processes rather than preprogrammed steps, much like a human researcher, these robots are helping scientists realize a future where these systems can be deployed on demand, empowering them to explore new possibilities and fully harness the facility’s cutting-edge capabilities to investigate everything from battery technologies to quantum materials.

The team has successfully demonstrated this technology by rapidly deploying a prototype of one of these robotic systems to run an autonomous experiment overnight. The setup included different-sized samples that were randomly placed in the experimental environment without any preprogrammed knowledge of their location. The simulated experiment proceeded for eight hours without errors, showcasing the potential for user-friendly, AI-driven robotic integration in scientific research. Their results were recently published in Digital Discovery.

“We’re envisioning a new path forward,” said Phillip Maffettone, a computational scientist in NSLS-II’s Data Science and Systems Integration (DSSI) division and lead author of the study. “This approach isn’t just about speeding up current experiments; it’s a roadmap for the next generation of beamlines — modular, intelligent, and deeply integrated with AI. We’re designing a system that dynamically adapts to user needs.”

Building an automation foundation

NSLS-II currently operates 29 beamlines, with three more under construction and several others in development. The range, complexity, and volume of experiments conducted across these beamlines presents a challenge: designing a system that can automate existing workflows while remaining flexible enough to adapt to new types of experiments and new beamlines as they come online.

The synchrotron community has already found a lot of success in automating macromolecular X-ray crystallography (MX) experiments using robotics. MX beamlines can now perform automated and semi-automated experiments that routinely reach 99.96% reliability, which has increased the throughput of MX experiments. At NSLS-II alone, almost 13,000 samples were mounted at the Highly Automated Macromolecular Crystallography (AMX) beamline over the past four months. The robotic systems used at these beamlines are very effective for MX samples, and the robots have inspired scientists to think about what a more modular system could look like as they developed ideas for new beamline designs.

Daniel Olds is the lead beamline scientist at the upcoming High Resolution Powder Diffraction (HRD) beamline at NSLS-II. The beamline’s design enables users to take fast, in situ measurements that reveal real-time material behaviors such as battery cycling, catalytic reactions, and phase transitions — an approach that demands an innovative, adaptable system tailored to custom sample environments.

“We’re tackling a challenge faced by many researchers: how do we get the most science out of a limited window of beam time?” Olds said. “With so many formats and such little time, managing these experiments becomes a high-stakes logistical sprint.”

To envision what future experiments could look like, Maffettone, Olds, and a team of scientists from DSSI studied current experiments that would benefit most from flexible automation. They focused on the Pair Distribution Function (PDF) beamline, where visiting scientists, particularly those studying battery materials, often arrive with hundreds of unique samples. These can range from powders in narrow capillaries to flat “coupons” and even full pouch cell batteries like those used in electric vehicles. Some must be measured while charging and discharging in real time.

Instead of working in a single geometry or setup, a “smart” robot would be able to quickly learn how to handle a wide variety of sample types that differ in shape, size, and weight, just as a human scientist would. This kind of adaptability would reduce downtime, enable continuous beamline operation, and free researchers to focus more on insights than logistics.

Take capillary samples, for example. These are typically mounted on T-shaped brackets that hold 10 to 30 capillaries each. Once loaded and aligned with the beam, the capillaries are scanned sequentially as the bracket moves vertically, allowing different regions of each sample to be measured and averaged for more reliable data. Scans are fast, with each bracket taking just five to 10 minutes, leaving users little time between sample changes. Currently, switching from a capillary containing battery material to an actual operando battery setup also requires stopping the experiment, opening the protective hutch, and manually swapping samples. An automated system could streamline these processes, but only if it’s intuitive and flexible.

For energy research in particular, this shift could be transformative. Progress in energy storage depends on the ability to screen new materials and quickly test them under real-world conditions with limited scheduled time at the beamline. Adaptive robotics at NSLS-II would dramatically accelerate that process, helping researchers develop the next generation of high-performance batteries for applications ranging from earbuds to electric vehicles.

This is only one example of the many types of experiments in several different fields that this kind of system is hoping to accelerate. As Maffettone explained, “The dream is to have smart robots that users can request on a per-beam-time basis. These applications are designed to be quickly deployed, removed, and redeployed based on the needs of the experiment while also being able to integrate AI-agent-driven automation techniques. Because of this, the robots we use would need to be light and portable, have a modular build, and plug into an accessible software infrastructure.”

Read more on NSLS-II website

Image: NSLS-II computational scientist Phillip Maffettone simulated an experimental setup to test AI-driven robotic automation.

Credit: Kevin Coughlin/Brookhaven National Laboratory

New technology on the beamlines gifts sleep back to staff and users

Dohyun Moon, Beamline Senior Scientist at Pohang Light Source II in Korea, and Michele Manfredda, Scientist in the Photon Transport Group at FERMI in Italy, talk about new technology that is delivering remote control, automation and robot systems. All of these advances reduce the need for humans to be on the beamlines round the clock.

As Michele says, “The best science that we can do at a light source is the one that we do when we sleep and the machines and computers work.”