A new machine learning (ML) model from Georgia Tech could protect communities from diseases, better manage electricity consumption in cities, and promote business growth, all at the same time.

Researchers from the School of Computational Science and Engineering (CSE) created the Large Pre-Trained Time-Series Model (LPTM) framework. LPTM is a single foundational model that completes forecasting tasks across a broad range of domains. 

Along with performing as well or better than models purpose-built for their applications, LPTM requires 40% less data and 50% less training time than current baselines. In some cases, LPTM can be deployed without any training data.

The key to LPTM is that it is pre-trained on datasets from different industries like healthcare, transportation, and energy. The Georgia Tech group created an adaptive segmentation module to make effective use of these vastly different datasets.

The Georgia Tech researchers will present LPTM in Vancouver, British Columbia, Canada, at the 2024 Conference on Neural Information Processing Systems (NeurIPS 2024). NeurIPS is one of the world’s most prestigious conferences on artificial intelligence (AI) and ML research.

“The foundational model paradigm started with text and image, but people haven’t explored time-series tasks yet because those were considered too diverse across domains,” said B. Aditya Prakash, one of LPTM’s developers. 

“Our work is a pioneer in this new area of exploration where only few attempts have been made so far.”

[MICROSITE: Georgia Tech at NeurIPS 2024]

Foundational models are trained with data from different fields, making them powerful tools when assigned tasks. Foundational models drive GPT, DALL-E, and other popular generative AI platforms used today. LPTM is different though because it is geared toward time-series, not text and image generation.  

The Georgia Tech researchers trained LPTM on data ranging from epidemics, macroeconomics, power consumption, traffic and transportation, stock markets, and human motion and behavioral datasets.

After training, the group pitted LPTM against 17 other models to make forecasts as close to nine real-case benchmarks. LPTM performed the best on five datasets and placed second on the other four.

The nine benchmarks contained data from real-world collections. These included the spread of influenza in the U.S. and Japan, electricity, traffic, and taxi demand in New York, and financial markets.   

The competitor models were purpose-built for their fields. While each model performed well on one or two benchmarks closest to its designed purpose, the models ranked in the middle or bottom on others.

In another experiment, the Georgia Tech group tested LPTM against seven baseline models on the same nine benchmarks in zero-shot forecasting tasks. Zero-shot means the model is used out of the box and not given any specific guidance during training. LPTM outperformed every model across all benchmarks in this trial.

LPTM performed consistently as a top-runner on all nine benchmarks, demonstrating the model’s potential to achieve superior forecasting results across multiple applications with less and resources.

“Our model also goes beyond forecasting and helps accomplish other tasks,” said Prakash, an associate professor in the School of CSE. 

“Classification is a useful time-series task that allows us to understand the nature of the time-series and label whether that time-series is something we understand or is new.”

One reason traditional models are custom-built to their purpose is that fields differ in reporting frequency and trends. 

For example, epidemic data is often reported weekly and goes through seasonal peaks with occasional outbreaks. Economic data is captured quarterly and typically remains consistent and monotone over time. 

LPTM’s adaptive segmentation module allows it to overcome these timing differences across datasets. When LPTM receives a dataset, the module breaks data into segments of different sizes. Then, it scores all possible ways to segment data and chooses the easiest segment from which to learn useful patterns.

LPTM’s performance, enhanced through the innovation of adaptive segmentation, earned the model acceptance to NeurIPS 2024 for presentation. NeurIPS is one of three primary international conferences on high-impact research in AI and ML. NeurIPS 2024 occurs Dec. 10-15.

Ph.D. student Harshavardhan Kamarthi partnered with Prakash, his advisor, on LPTM. The duo are among the 162 Georgia Tech researchers presenting over 80 papers at the conference. 

Prakash is one of 46 Georgia Tech faculty with research accepted at NeurIPS 2024. Nine School of CSE faculty members, nearly one-third of the body, are authors or co-authors of 17 papers accepted at the conference. 

Along with sharing their research at NeurIPS 2024, Prakash and Kamarthi released an open-source library of foundational time-series modules that data scientists can use in their applications.

“Given the interest in AI from all walks of life, including business, social, and research and development sectors, a lot of work has been done and thousands of strong papers are submitted to the main AI conferences,” Prakash said. 

“Acceptance of our paper speaks to the quality of the work and its potential to advance foundational methodology, and we hope to share that with a larger audience.”

A first-of-its-kind algorithm developed at Georgia Tech is helping scientists study interactions between electrons. This innovation in modeling technology can lead to discoveries in physics, chemistry, materials science, and other fields.

The new algorithm is faster than existing methods while remaining highly accurate. The solver surpasses the limits of current models by demonstrating scalability across chemical system sizes ranging from large to small. 

Computer scientists and engineers benefit from the algorithm’s ability to balance processor loads. This work allows researchers to tackle larger, more complex problems without the prohibitive costs associated with previous methods.

Its ability to solve block linear systems drives the algorithm’s ingenuity. According to the researchers, their approach is the first known use of a block linear system solver to calculate electronic correlation energy.

The Georgia Tech team won’t need to travel far to share their findings with the broader high-performance computing community. They will present their work in Atlanta at the 2024 International Conference for High Performance Computing, Networking, Storage and Analysis (SC24).

[MICROSITE: Georgia Tech at SC24] 

“The combination of solving large problems with high accuracy can enable density functional theory simulation to tackle new problems in science and engineering,” said Edmond Chow, professor and associate chair of Georgia Tech’s School of Computational Science and Engineering (CSE).

Density functional theory (DFT) is a modeling method for studying electronic structure in many-body systems, such as atoms and molecules. 

An important concept DFT models is electronic correlation, the interaction between electrons in a quantum system. Electron correlation energy is the measure of how much the movement of one electron is influenced by presence of all other electrons.

Random phase approximation (RPA) is used to calculate electron correlation energy. While RPA is very accurate, it becomes computationally more expensive as the size of the system being calculated increases.

Georgia Tech’s algorithm enhances electronic correlation energy computations within the RPA framework. The approach circumvents inefficiencies and achieves faster solution times, even for small-scale chemical systems.

The group integrated the algorithm into existing work on SPARC, a real-space electronic structure software package for accurate, efficient, and scalable solutions of DFT equations. School of Civil and Environmental Engineering Professor Phanish Suryanarayana is SPARC’s lead researcher.

The group tested the algorithm on small chemical systems of silicon crystals numbering as few as eight atoms. The method achieved faster calculation times and scaled to larger system sizes than direct approaches.

“This algorithm will enable SPARC to perform electronic structure calculations for realistic systems with a level of accuracy that is the gold standard in chemical and materials science research,” said Suryanarayana.

RPA is expensive because it relies on quartic scaling. When the size of a chemical system is doubled, the computational cost increases by a factor of 16. 

Instead, Georgia Tech’s algorithm scales cubically by solving block linear systems. This capability makes it feasible to solve larger problems at less expense. 

Solving block linear systems presents a challenging trade-off in solving different block sizes. While larger blocks help reduce the number of steps of the solver, using them demands higher computational cost per step on computer processors. 

Tech’s solution is a dynamic block size selection solver. The solver allows each processor to independently select block sizes to calculate. This solution further assists in scaling, and improves processor load balancing and parallel efficiency.

“The new algorithm has many forms of parallelism, making it suitable for immense numbers of processors,” Chow said. “The algorithm works in a real-space, finite-difference DFT code. Such a code can scale efficiently on the largest supercomputers.”

Georgia Tech alumni Shikhar Shah (Ph.D. CSE 2024), Hua Huang (Ph.D. CSE 2024), and Ph.D. student Boqin Zhang led the algorithm’s development. The project was the culmination of work for Shah and Huang, who completed their degrees this summer. John E. Pask, a physicist at Lawrence Livermore National Laboratory, joined the Tech researchers on the work.

Shah, Huang, Zhang, Suryanarayana, and Chow are among more than 50 students, faculty, research scientists, and alumni affiliated with Georgia Tech who are scheduled to give more than 30 presentations at SC24. The experts will present their research through papers, posters, panels, and workshops. 

SC24 takes place Nov. 17-22 at the Georgia World Congress Center in Atlanta. 

“The project’s success came from combining expertise from people with diverse backgrounds ranging from numerical methods to chemistry and materials science to high-performance computing,” Chow said.

“We could not have achieved this as individual teams working alone.”

If you’ve ever watched a large flock of birds on the wing, moving across the sky like a cloud with various shapes and directional changes appearing from seeming chaos, or the maneuvers of an ant colony forming bridges and rafts to escape floods, you’ve been observing what scientists call self-organization. What may not be as obvious is that self-organization occurs throughout the natural world, including bacterial colonies, protein complexes, and hybrid materials. Understanding and predicting self-organization, especially in systems that are out of equilibrium, like living things, is an enduring goal of statistical physics.

This goal is the motivation behind a recently introduced principle of physics called rattling, which posits that systems with sufficiently “messy” dynamics organize into what researchers refer to as low rattling states. Although the principle has proved accurate for systems of robot swarms, it has been too vague to be more broadly tested, and it has been unclear exactly why it works and to what other systems it should apply.

Dana Randall, a professor in the School of Computer Science, and Jacob Calvert, a postdoctoral fellow at the Institute for Data Engineering and Science, have formulated a theory of rattling that answers these fundamental questions. Their paper, “A Local-Global Principle for Nonequilibrium Steady States,” published last week in Proceedings of the National Academy of Sciences, characterizes how rattling is related to the amount of time that a system spends in a state. Their theory further identifies the classes of systems for which rattling explains self-organization.

When we first heard about rattling from physicists, it was very hard to believe it could be true. Our work grew out of a desire to understand it ourselves. We found that the idea at its core is surprisingly simple and holds even more broadly than the physicists guessed.

Dana Randall  Professor, School of Computer Science & Adjunct Professor, School of Mathematics 
Georgia Institute of Technology 

Beyond its basic scientific importance, the work can be put to immediate use to analyze models of phenomena across scientific domains. Additionally, experimentalists seeking organization within a nonequilibrium system may be able to induce low rattling states to achieve their desired goal. The duo thinks the work will be valuable in designing microparticles, robotic swarms, and new materials. It may also provide new ways to analyze and predict collective behaviors in biological systems at the micro and nanoscale.

The preceding material is based on work supported by the Army Research Office under award ARO MURI Award W911NF-19-1-0233 and by the National Science Foundation under grant CCF-2106687. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the sponsoring agencies.

Jacob Calvert and Dana Randall. A local-global principle for nonequilibrium steady states. Proceedings of the National Academy of Sciences, 121(42):e2411731121, 2024.

A new surgery planning tool powered by augmented reality (AR) is in development for doctors who need closer collaboration when planning heart operations. Promising results from a recent usability test have moved the platform one step closer to everyday use in hospitals worldwide.

Georgia Tech researchers partnered with medical experts from Children’s Healthcare of Atlanta (CHOA) to develop and test ARCollab. The iOS-based app leverages advanced AR technologies to let doctors collaborate together and interact with a patient’s 3D heart model when planning surgeries.

The usability evaluation demonstrates the app’s effectiveness, finding that ARCollab is easy to use and understand, fosters collaboration, and improves surgical planning.

“This tool is a step toward easier collaborative surgical planning. ARCollab could reduce the reliance on physical heart models, saving hours and even days of time while maintaining the collaborative nature of surgical planning,” said M.S. student Pratham Mehta, the app’s lead researcher.

“Not only can it benefit doctors when planning for surgery, it may also serve as a teaching tool to explain heart deformities and problems to patients.”

Two cardiologists and three cardiothoracic surgeons from CHOA tested ARCollab. The two-day study ended with the doctors taking a 14-question survey assessing the app’s usability. The survey also solicited general feedback and top features.

The Georgia Tech group determined from the open-ended feedback that:

• ARCollab enables new collaboration capabilities that are easy to use and facilitate surgical planning.
• Anchoring the model to a physical space is important for better interaction.
• Portability and real-time interaction are crucial for collaborative surgical planning.

Users rated each of the 14 questions on a 7-point Likert scale, with one being “strongly disagree” and seven being “strongly agree.” The 14 questions were organized into five categories: overall, multi-user, model viewing, model slicing, and saving and loading models.

The multi-user category attained the highest rating with an average of 6.65. This included a unanimous 7.0 rating that it was easy to identify who was controlling the heart model in ARCollab. The scores also showed it was easy for users to connect with devices, switch between viewing and slicing, and view other users’ interactions.

The model slicing category received the lowest, but formidable, average of 5.5. These questions assessed ease of use and understanding of finger gestures and usefulness to toggle slice direction.

Based on feedback, the researchers will explore adding support for remote collaboration. This would assist doctors in collaborating when not in a shared physical space. Another improvement is extending the save feature to support multiple states.

“The surgeons and cardiologists found it extremely beneficial for multiple people to be able to view the model and collaboratively interact with it in real-time,” Mehta said.

The user study took place in a CHOA classroom. CHOA also provided a 3D heart model for the test using anonymous medical imaging data. Georgia Tech’s Institutional Review Board (IRB) approved the study and the group collected data in accordance with Institute policies.

The five test participants regularly perform cardiovascular surgical procedures and are employed by CHOA. 

The Georgia Tech group provided each participant with an iPad Pro with the latest iOS version and the ARCollab app installed. Using commercial devices and software meets the group’s intentions to make the tool universally available and deployable.

“We plan to continue iterating ARCollab based on the feedback from the users,” Mehta said. 

“The participants suggested the addition of a ‘distance collaboration’ mode, enabling doctors to collaborate even if they are not in the same physical environment. This allows them to facilitate surgical planning sessions from home or otherwise.”

The Georgia Tech researchers are presenting ARCollab and the user study results at IEEE VIS 2024, the Institute of Electrical and Electronics Engineers (IEEE) visualization conference. 

IEEE VIS is the world’s most prestigious conference for visualization research and the second-highest rated conference for computer graphics. It takes place virtually Oct. 13-18, moved from its venue in St. Pete Beach, Florida, due to Hurricane Milton.

The ARCollab research group's presentation at IEEE VIS comes months after they shared their work at the Conference on Human Factors in Computing Systems (CHI 2024).

Undergraduate student Rahul Narayanan and alumni Harsha Karanth (M.S. CS 2024) and Haoyang (Alex) Yang (CS 2022, M.S. CS 2023) co-authored the paper with Mehta. They study under Polo Chau, a professor in the School of Computational Science and Engineering.

The Georgia Tech group partnered with Dr. Timothy Slesnick and Dr. Fawwaz Shaw from CHOA on ARCollab’s development and user testing.

"I'm grateful for these opportunities since I get to showcase the team's hard work," Mehta said.

“I can meet other like-minded researchers and students who share these interests in visualization and human-computer interaction. There is no better form of learning.”

A new algorithm tested on NASA’s Perseverance Rover on Mars may lead to better forecasting of hurricanes, wildfires, and other extreme weather events that impact millions globally.

Georgia Tech Ph.D. student Austin P. Wright is first author of a paper that introduces Nested Fusion. The new algorithm improves scientists’ ability to search for past signs of life on the Martian surface. 

In addition to supporting NASA’s Mars 2020 mission, scientists from other fields working with large, overlapping datasets can use Nested Fusion’s methods toward their studies.

Wright presented Nested Fusion at the 2024 International Conference on Knowledge Discovery and Data Mining (KDD 2024) where it was a runner-up for the best paper award. KDD is widely considered the world's most prestigious conference for knowledge discovery and data mining research.

“Nested Fusion is really useful for researchers in many different domains, not just NASA scientists,” said Wright. “The method visualizes complex datasets that can be difficult to get an overall view of during the initial exploratory stages of analysis.”

Nested Fusion combines datasets with different resolutions to produce a single, high-resolution visual distribution. Using this method, NASA scientists can more easily analyze multiple datasets from various sources at the same time. This can lead to faster studies of Mars’ surface composition to find clues of previous life.

The algorithm demonstrates how data science impacts traditional scientific fields like chemistry, biology, and geology.

Even further, Wright is developing Nested Fusion applications to model shifting climate patterns, plant and animal life, and other concepts in the earth sciences. The same method can combine overlapping datasets from satellite imagery, biomarkers, and climate data.

“Users have extended Nested Fusion and similar algorithms toward earth science contexts, which we have received very positive feedback,” said Wright, who studies machine learning (ML) at Georgia Tech.

“Cross-correlational analysis takes a long time to do and is not done in the initial stages of research when patterns appear and form new hypotheses. Nested Fusion enables people to discover these patterns much earlier.”

Wright is the data science and ML lead for PIXLISE, the software that NASA JPL scientists use to study data from the Mars Perseverance Rover.

Perseverance uses its Planetary Instrument for X-ray Lithochemistry (PIXL) to collect data on mineral composition of Mars’ surface. PIXL’s two main tools that accomplish this are its X-ray Fluorescence (XRF) Spectrometer and Multi-Context Camera (MCC).

When PIXL scans a target area, it creates two co-aligned datasets from the components. XRF collects a sample's fine-scale elemental composition. MCC produces images of a sample to gather visual and physical details like size and shape. 

A single XRF spectrum corresponds to approximately 100 MCC imaging pixels for every scan point. Each tool’s unique resolution makes mapping between overlapping data layers challenging. However, Wright and his collaborators designed Nested Fusion to overcome this hurdle.

In addition to progressing data science, Nested Fusion improves NASA scientists' workflow. Using the method, a single scientist can form an initial estimate of a sample’s mineral composition in a matter of hours. Before Nested Fusion, the same task required days of collaboration between teams of experts on each different instrument.

“I think one of the biggest lessons I have taken from this work is that it is valuable to always ground my ML and data science problems in actual, concrete use cases of our collaborators,” Wright said. 

“I learn from collaborators what parts of data analysis are important to them and the challenges they face. By understanding these issues, we can discover new ways of formalizing and framing problems in data science.”

Wright presented Nested Fusion at KDD 2024, held Aug. 25-29 in Barcelona, Spain. KDD is an official special interest group of the Association for Computing Machinery. The conference is one of the world’s leading forums for knowledge discovery and data mining research.

Nested Fusion won runner-up for the best paper in the applied data science track, which comprised of over 150 papers. Hundreds of other papers were presented at the conference’s research track, workshops, and tutorials. 

Wright’s mentors, Scott Davidoff and Polo Chau, co-authored the Nested Fusion paper. Davidoff is a principal research scientist at the NASA Jet Propulsion Laboratory. Chau is a professor at the Georgia Tech School of Computational Science and Engineering (CSE).

“I was extremely happy that this work was recognized with the best paper runner-up award,” Wright said. “This kind of applied work can sometimes be hard to find the right academic home, so finding communities that appreciate this work is very encouraging.”

The Cloud Hub, a key initiative of the Institute for Data Engineering and Science (IDEaS) at Georgia Tech, recently concluded a successful Call for Proposals focused on advancing the field of Generative Artificial Intelligence (GenAI). This initiative, made possible by a generous gift funding from Microsoft, aims to push the boundaries of GenAI research by supporting projects that explore both foundational aspects and innovative applications of this cutting-edge technology.

Call for Proposals: A Gateway to Innovation

Launched in early 2024, the Call for Proposals invited researchers from across Georgia Tech to submit their innovative ideas on GenAI. The scope was broad, encouraging proposals that spanned foundational research, system advancements, and novel applications in various disciplines, including arts, sciences, business, and engineering. A special emphasis was placed on projects that addressed responsible and ethical AI use.

The response from the Georgia Tech research community was overwhelming, with 76 proposals submitted by teams eager to explore this transformative technology. After a rigorous selection process, eight projects were selected for support. Each awarded team will also benefit from access to Microsoft’s Azure cloud resources..

Recognizing Microsoft’s Generous Contribution

This successful initiative was made possible through the generous support of Microsoft, whose contribution of research resources has empowered Georgia Tech researchers to explore new frontiers in GenAI. By providing access to Azure’s advanced tools and services, Microsoft has played a pivotal role in accelerating GenAI research at Georgia Tech, enabling researchers to tackle some of the most pressing challenges and opportunities in this rapidly evolving field.

Looking Ahead: Pioneering the Future of GenAI

The awarded projects, set to commence in Fall 2024, represent a diverse array of research directions, from improving the capabilities of large language models to innovative applications in data management and interdisciplinary collaborations. These projects are expected to make significant contributions to the body of knowledge in GenAI and are poised to have a lasting impact on the industry and beyond.

IDEaS and the Cloud Hub are committed to supporting these teams as they embark on their research journeys. The outcomes of these projects will be shared through publications and highlighted on the Cloud Hub web portal, ensuring visibility for the groundbreaking work enabled by this initiative.

Congratulations to the Fall 2024 Winners

• Annalisa Bracco | EAS "Modeling the Dispersal and Connectivity of Marine Larvae with GenAI Agents" [proposal co-funded with support from the Brook Byers Institute for Sustainable Systems]
• Yunan Luo | CSE “Designing New and Diverse Proteins with Generative AI”
• Kartik Goyal | IC “Generative AI for Greco-Roman Architectural Reconstruction: From Partial Unstructured Archaeological Descriptions to Structured Architectural Plans”
• Victor Fung | CSE “Intelligent LLM Agents for Materials Design and Automated Experimentation”
• Noura Howell | LMC “Applying Generative AI for STEM Education: Supporting AI literacy and community engagement with marginalized youth”
• Neha Kumar | IC “Towards Responsible Integration of Generative AI in Creative Game Development”
• Maureen Linden | Design “Best Practices in Generative AI Used in the Creation of Accessible Alternative Formats for People with Disabilities”
• Surya Kalidindi | ME & MSE “Accelerating Materials Development Through Generative AI Based Dimensionality Expansion Techniques”
• Tuo Zhao | ISyE “Adaptive and Robust Alignment of LLMs with Complex Rewards”

A research group is calling for internet and social media moderators to strengthen their detection and intervention protocols for violent speech. 

Their study of language detection software found that algorithms struggle to differentiate anti-Asian violence-provoking speech from general hate speech. Left unchecked, threats of violence online can go unnoticed and turn into real-world attacks. 

Researchers from Georgia Tech and the Anti-Defamation League (ADL) teamed together in the study. They made their discovery while testing natural language processing (NLP) models trained on data they crowdsourced from Asian communities. 

“The Covid-19 pandemic brought attention to how dangerous violence-provoking speech can be. There was a clear increase in reports of anti-Asian violence and hate crimes,” said Gaurav Verma, a Georgia Tech Ph.D. candidate who led the study. 

“Such speech is often amplified on social platforms, which in turn fuels anti-Asian sentiments and attacks.”

Violence-provoking speech differs from more commonly studied forms of harmful speech, like hate speech. While hate speech denigrates or insults a group, violence-provoking speech implicitly or explicitly encourages violence against targeted communities.

Humans can define and characterize violent speech as a subset of hateful speech. However, computer models struggle to tell the difference due to subtle cues and implications in language.

The researchers tested five different NLP classifiers and analyzed their F1 score, which measures a model's performance. The classifiers reported a 0.89 score for detecting hate speech, while detecting violence-provoking speech was only 0.69. This contrast highlights the notable gap between these tools and their accuracy and reliability. 

The study stresses the importance of developing more refined methods for detecting violence-provoking speech. Internet misinformation and inflammatory rhetoric escalate tensions that lead to real-world violence. 

The Covid-19 pandemic exemplified how public health crises intensify this behavior, helping inspire the study. The group cited that anti-Asian crime across the U.S. increased by 339% in 2021 due to malicious content blaming Asians for the virus. 

The researchers believe their findings show the effectiveness of community-centric approaches to problems dealing with harmful speech. These approaches would enable informed decision-making between policymakers, targeted communities, and developers of online platforms.

Along with stronger models for detecting violence-provoking speech, the group discusses a direct solution: a tiered penalty system on online platforms. Tiered systems align penalties with severity of offenses, acting as both deterrent and intervention to different levels of harmful speech. 

“We believe that we cannot tackle a problem that affects a community without involving people who are directly impacted,” said Jiawei Zhou, a Ph.D. student who studies human-centered computing at Georgia Tech. 

“By collaborating with experts and community members, we ensure our research builds on front-line efforts to combat violence-provoking speech while remaining rooted in real experiences and needs of the targeted community.”

The researchers trained their tested NLP classifiers on a dataset crowdsourced from a survey of 120 participants who self-identified as Asian community members. In the survey, the participants labeled 1,000 posts from X (formerly Twitter) as containing either violence-provoking speech, hateful speech, or neither.

Since characterizing violence-provoking speech is not universal, the researchers created a specialized codebook for survey participants. The participants studied the codebook before their survey and used an abridged version while labeling. 

To create the codebook, the group used an initial set of anti-Asian keywords to scan posts on X from January 2020 to February 2023. This tactic yielded 420,000 posts containing harmful, anti-Asian language. 

The researchers then filtered the batch through new keywords and phrases. This refined the sample to 4,000 posts that potentially contained violence-provoking content. Keywords and phrases were added to the codebook while the filtered posts were used in the labeling survey.

The team used discussion and pilot testing to validate its codebook. During trial testing, pilots labeled 100 Twitter posts to ensure the sound design of the Asian community survey. The group also sent the codebook to the ADL for review and incorporated the organization’s feedback. 

“One of the major challenges in studying violence-provoking content online is effective data collection and funneling down because most platforms actively moderate and remove overtly hateful and violent material,” said Tech alumnus Rynaa Grover (M.S. CS 2024).

“To address the complexities of this data, we developed an innovative pipeline that deals with the scale of this data in a community-aware manner.”

Emphasis on community input extended into collaboration within Georgia Tech’s College of Computing. Faculty members Srijan Kumar and Munmun De Choudhury oversaw the research that their students spearheaded.

Kumar, an assistant professor in the School of Computational Science and Engineering, advises Verma and Grover. His expertise is in artificial intelligence, data mining, and online safety.

De Choudhury is an associate professor in the School of Interactive Computing and advises Zhou. Their research connects societal mental health and social media interactions.

The Georgia Tech researchers partnered with the ADL, a leading non-governmental organization that combats real-world hate and extremism. ADL researchers Binny Mathew and Jordan Kraemer co-authored the paper.

The group will present its paper at the 62nd Annual Meeting of the Association for Computational Linguistics (ACL 2024), which takes place in Bangkok, Thailand, Aug. 11-16 

ACL 2024 accepted 40 papers written by Georgia Tech researchers. Of the 12 Georgia Tech faculty who authored papers accepted at the conference, nine are from the College of Computing, including Kumar and De Choudhury.

“It is great to see that the peers and research community recognize the importance of community-centric work that provides grounded insights about the capabilities of leading language models,” Verma said. 

“We hope the platform encourages more work that presents community-centered perspectives on important societal problems.” 

Visit https://sites.gatech.edu/research/acl-2024/ for news and coverage of Georgia Tech research presented at ACL 2024.

When it comes to manufacturing innovation, the “valley of death” — the gap between the lab and the industry floor where even the best discoveries often get lost — looms large.

“An individual faculty’s lab focuses on showing the innovation or the new science that they discovered,” said Aaron Stebner, professor and Eugene C. Gwaltney Jr. Chair in Manufacturing in the George W. Woodruff School of Mechanical Engineering. “At that point, the business case hasn't been made for the technology yet — there's no testing on an industrial system to know if it breaks or if it scales up. A lot of innovation and scientific discovery dies there.”

The Georgia Tech Manufacturing Institute (GTMI) launched the Advanced Manufacturing Pilot Facility (AMPF) in 2017 to help bridge that gap. 

Now, GTMI is breaking ground on an extensive expansion to bring new capabilities in automation, artificial intelligence, and data management to the facility. 

“This will be the first facility of this size that's being intentionally designed to enable AI to perform research and development in materials and manufacturing at the same time,” said Stebner, “setting up GTMI as not just a leader in Georgia, but a leader in automation and AI in manufacturing across the country.”

AMPF: A Catalyst for Collaboration

Located just north of Georgia Tech’s main campus, APMF is a 20,000-square-foot facility serving as a teaching laboratory, technology test bed, and workforce development space for manufacturing innovations.

“The pilot facility,” says Stebner, “is meant to be a place where stakeholders in academic research, government, industry, and workforce development can come together and develop both the workforce that is needed for future technologies, as well as mature, de-risk, and develop business cases for new technologies — proving them out to the point where it makes sense for industry to pick them up.”

In addition to serving as the flagship facility for GTMI research and the state’s Georgia AIM (Artificial Intelligence in Manufacturing) project, the AMPF is a user facility accessible to Georgia Tech’s industry partners as well as the Institute’s faculty, staff, and students.

“We have all kinds of great capabilities and technologies, plus staff that can train students, postdocs, and faculty on how to use them,” said Stebner, who also serves as co-director of the GTMI-affiliated Georgia AIM project. “It creates a unique asset for Georgia Tech faculty, staff, and students.”

Bringing AI and Automation to the Forefront

The renovation of APMF is a key component of the $65 million grant, awarded to Georgia Tech by the U.S. Department of Commerce’s Economic Development Administration in 2022, which gave rise to the Georgia AIM project. With over $23 million in support from Georgia AIM, the improved facility will feature new workforce training programs, personnel, and equipment. 

Set to complete in Spring 2026, the Institute’s investment of $16 million supports construction that will roughly triple the size of the facility — and work to address a major roadblock for incorporating AI and automation into manufacturing practices: data.

“There’s a lot of work going on across the world in using machine learning in engineering problems, including manufacturing, but it's limited in scale-up and commercial adoption,” explained Stebner. 

Machine learning algorithms have the potential to make manufacturing more efficient, but they need a lot of reliable, repeatable data about the processes and materials involved to be effective. Collecting that data manually is monotonous, costly, and time-consuming.

“The idea is to automate those functions that we need to enable AI and machine learning” in manufacturing, says Stebner. “Let it be a facility where you can imagine new things and push new boundaries and not just be stuck in demonstrating concepts over and over again.”

To make that possible, the expanded facility will couple AI and data management with robotic automation.

“We're going to be able to demonstrate automation from the very beginning of our process all the way through the entire ecosystem of manufacturing,” said Steven Sheffield, GTMI’s senior assistant director of research operations.

“This expansion — no one else has done anything like it,” added Steven Ferguson, principal research scientist with GTMI and managing director of Georgia AIM. “We will have the leading facility for demonstrating what a hyperconnected and AI-driven manufacturing enterprise looks like. We’re setting the stage for Georgia Tech to continue to lead in the manufacturing space for the next decade and beyond.”

New research from Georgia Tech is giving scientists more control options over generative artificial intelligence (AI) models in their studies. Greater customization from this research can lead to discovery of new drugs, materials, and other applications tailor-made for consumers.

The Tech group dubbed its method PRODIGY (PROjected DIffusion for controlled Graph Generation). PRODIGY enables diffusion models to generate 3D images of complex structures, such as molecules from chemical formulas. 

Scientists in pharmacology, materials science, social network analysis, and other fields can use PRODIGY to simulate large-scale networks. By generating 3D molecules from multiple graph datasets, the group proved that PRODIGY could handle complex structures.

In keeping with its name, PRODIGY is the first plug-and-play machine learning (ML) approach to controllable graph generation in diffusion models. This method overcomes a known limitation inhibiting diffusion models from broad use in science and engineering.

“We hope PRODIGY enables drug designers and scientists to generate structures that meet their precise needs,” said Kartik Sharma, lead researcher on the project. “It should also inspire future innovations to precisely control modern generative models across domains.” 

PRODIGY works on diffusion models, a generative AI model for computer vision tasks. While suitable for image creation and denoising, diffusion methods are limited because they cannot accurately generate graph representations of custom parameters a user provides.

PRODIGY empowers any pre-trained diffusion model for graph generation to produce graphs that meet specific, user-given constraints. This capability means, as an example, that a drug designer could use any diffusion model to design a molecule with a specific number of atoms and bonds.

The group tested PRODIGY on two molecular and five generic datasets to generate custom 2D and 3D structures. This approach ensured the method could create such complex structures, accounting for the atoms, bonds, structures, and other properties at play in molecules. 

Molecular generation experiments with PRODIGY directly impact chemistry, biology, pharmacology, materials science, and other fields. The researchers say PRODIGY has potential in other fields using large networks and datasets, such as social sciences and telecommunications.

These features led to PRODIGY’s acceptance for presentation at the upcoming International Conference on Machine Learning (ICML 2024). ICML 2024 is the leading international academic conference on ML. The conference is taking place July 21-27 in Vienna.

Assistant Professor Srijan Kumar is Sharma’s advisor and paper co-author. They worked with Tech alumnus Rakshit Trivedi (Ph.D. CS 2020), a Massachusetts Institute of Technology postdoctoral associate.

Twenty-four Georgia Tech faculty from the Colleges of Computing and Engineering will present 40 papers at ICML 2024. Kumar is one of six faculty representing the School of Computational Science and Engineering (CSE) at the conference.

Sharma is a fourth-year Ph.D. student studying computer science. He researches ML models for structured data that are reliable and easily controlled by users. While preparing for ICML, Sharma has been interning this summer at Microsoft Research in the Research for Industry lab.

“ICML is the pioneering conference for machine learning,” said Kumar. “A strong presence at ICML from Georgia Tech illustrates the ground-breaking research conducted by our students and faculty, including those in my research group.”

Visit https://sites.gatech.edu/research/icml-2024 for news and coverage of Georgia Tech research presented at ICML 2024.

From weather prediction to drug discovery, math powers the models used in computer simulations. To help these vital tools with their calculations, global experts recently met at Georgia Tech to share ways to make math easier for computers.

Tech hosted the 2024 International Conference on Preconditioning Techniques for Scientific and Industrial Applications (Precond 24), June 10-12. 

Preconditioning accelerates matrix computations, a kind of math used in most large-scale models. These computer models become faster, more efficient, and more accessible with help from preconditioned equations.

“Preconditioning transforms complex numerical problems into more easily solved ones,” said Edmond Chow, a professor at Georgia Tech and co-chair of Precond 24’s local organization and program committees. 

“The new problem wields a better condition number, giving rise to the name preconditioning.”

Researchers from 13 countries presented their work through 20 mini-symposia and seven invited talks at Precond 24. Their work showcased the practicality of preconditioners. 

Vandana Dwarka, an assistant professor at Delft University of Technology, shared newly developed preconditioners for electromagnetic simulations. This technology can be used in further applications ranging from imaging to designing nuclear fusion devices.

Xiaozhe Hu presented a physics-based preconditioner that simulates biophysical processes in the brain, such as blood flow and metabolic waste clearance. Hu brought this research from Tufts University, where he is an associate professor.

Tucker Hartland, a postdoctoral researcher at Lawrence Livermore National Laboratory, discussed preconditioning in contact mechanics. This work improves the modeling of interactions between physical objects that touch each other. Many fields stand to benefit from Hartland’s study, including mechanical engineering, civil engineering, and materials science.

A unique aspect of this year’s conference was an emphasis on machine learning (ML). Between a panel discussion, tutorial, and several talks, experts detailed how to employ ML for preconditioning and how preconditioning can train ML models.

Precond 24 invited seven speakers from institutions around the world to share their research with conference attendees. The presenters were: 

• Monica Dessole, CERN, Switzerland
• Selime Gurol, CERFACS, France
• Alexander Heinlein, Delft University of Technology, Netherlands
• Rui Peng Li, Lawrence Livermore National Laboratory, USA 
• Will Pazner, Portland State University, USA 
• Tyrone Rees, Science and Technology Facilities Council, UK
• Jacob B. Schroder, University of New Mexico, USA

Along with hosting Precond 24, several Georgia Tech researchers participated in the conference through presentations. 

Ph.D. students Hua Huang and Shikhar Shah each presented a paper on the conference’s first day. Alumnus Srinivas Eswar (Ph.D. CS 2022) returned to Atlanta to share research from his current role at Argonne National Laboratory. Chow chaired the ML panel and a symposium on preconditioners for matrices.

“It was an engaging and rewarding experience meeting so many people from this very tight-knit community,” said Shah, who studies computational science and engineering (CSE). “Getting to see talks close to my research provided me with a lot of inspiration and direction for future work.”

Precond 2024 was the thirteenth meeting of the conference, which occurs every two years. 

The conference returned to Atlanta this year for the first time since 2005. Atlanta joins Minneapolis as one of only two cities in the world to host Precond more than once. Precond 24 marked the sixth time the conference met in the U.S. 

Georgia Tech and Emory University’s Department of Mathematics organized and sponsored Precond 24. The U.S. Department of Energy Office of Science co-sponsored the conference with Tech and Emory. 

Georgia Tech entities swarmed together in support of Precond 24. The Office of the Associate Vice President for Research Operations and Infrastructure, College of Computing, and School of CSE co-sponsored the conference.

“The enthusiasm at the conference has been very gratifying. So many people organized sessions at the conference and contributed to the very strong attendance,” Chow said. 

“This is a testament to the continued importance of preconditioning and related numerical methods in a rapidly changing technological world.”