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    MIT announces five flagship projects in first-ever Climate Grand Challenges competition

    MIT today announced the five flagship projects selected in its first-ever Climate Grand Challenges competition. These multiyear projects will define a dynamic research agenda focused on unraveling some of the toughest unsolved climate problems and bringing high-impact, science-based solutions to the world on an accelerated basis.

    Representing the most promising concepts to emerge from the two-year competition, the five flagship projects will receive additional funding and resources from MIT and others to develop their ideas and swiftly transform them into practical solutions at scale.

    “Climate Grand Challenges represents a whole-of-MIT drive to develop game-changing advances to confront the escalating climate crisis, in time to make a difference,” says MIT President L. Rafael Reif. “We are inspired by the creativity and boldness of the flagship ideas and by their potential to make a significant contribution to the global climate response. But given the planet-wide scale of the challenge, success depends on partnership. We are eager to work with visionary leaders in every sector to accelerate this impact-oriented research, implement serious solutions at scale, and inspire others to join us in confronting this urgent challenge for humankind.”

    Brief descriptions of the five Climate Grand Challenges flagship projects are provided below.

    Bringing Computation to the Climate Challenge

    This project leverages advances in artificial intelligence, machine learning, and data sciences to improve the accuracy of climate models and make them more useful to a variety of stakeholders — from communities to industry. The team is developing a digital twin of the Earth that harnesses more data than ever before to reduce and quantify uncertainties in climate projections.

    Research leads: Raffaele Ferrari, the Cecil and Ida Green Professor of Oceanography in the Department of Earth, Atmospheric and Planetary Sciences, and director of the Program in Atmospheres, Oceans, and Climate; and Noelle Eckley Selin, director of the Technology and Policy Program and professor with a joint appointment in the Institute for Data, Systems, and Society and the Department of Earth, Atmospheric and Planetary Sciences

    Center for Electrification and Decarbonization of Industry

    This project seeks to reinvent and electrify the processes and materials behind hard-to-decarbonize industries like steel, cement, ammonia, and ethylene production. A new innovation hub will perform targeted fundamental research and engineering with urgency, pushing the technological envelope on electricity-driven chemical transformations.

    Research leads: Yet-Ming Chiang, the Kyocera Professor of Materials Science and Engineering, and Bilge Yıldız, the Breene M. Kerr Professor in the Department of Nuclear Science and Engineering and professor in the Department of Materials Science and Engineering

    Preparing for a new world of weather and climate extremes

    This project addresses key gaps in knowledge about intensifying extreme events such as floods, hurricanes, and heat waves, and quantifies their long-term risk in a changing climate. The team is developing a scalable climate-change adaptation toolkit to help vulnerable communities and low-carbon energy providers prepare for these extreme weather events.

    Research leads: Kerry Emanuel, the Cecil and Ida Green Professor of Atmospheric Science in the Department of Earth, Atmospheric and Planetary Sciences and co-director of the MIT Lorenz Center; Miho Mazereeuw, associate professor of architecture and urbanism in the Department of Architecture and director of the Urban Risk Lab; and Paul O’Gorman, professor in the Program in Atmospheres, Oceans, and Climate in the Department of Earth, Atmospheric and Planetary Sciences

    The Climate Resilience Early Warning System

    The CREWSnet project seeks to reinvent climate change adaptation with a novel forecasting system that empowers underserved communities to interpret local climate risk, proactively plan for their futures incorporating resilience strategies, and minimize losses. CREWSnet will initially be demonstrated in southwestern Bangladesh, serving as a model for similarly threatened regions around the world.

    Research leads: John Aldridge, assistant leader of the Humanitarian Assistance and Disaster Relief Systems Group at MIT Lincoln Laboratory, and Elfatih Eltahir, the H.M. King Bhumibol Professor of Hydrology and Climate in the Department of Civil and Environmental Engineering

    Revolutionizing agriculture with low-emissions, resilient crops

    This project works to revolutionize the agricultural sector with climate-resilient crops and fertilizers that have the ability to dramatically reduce greenhouse gas emissions from food production.

    Research lead: Christopher Voigt, the Daniel I.C. Wang Professor in the Department of Biological Engineering

    “As one of the world’s leading institutions of research and innovation, it is incumbent upon MIT to draw on our depth of knowledge, ingenuity, and ambition to tackle the hard climate problems now confronting the world,” says Richard Lester, MIT associate provost for international activities. “Together with collaborators across industry, finance, community, and government, the Climate Grand Challenges teams are looking to develop and implement high-impact, path-breaking climate solutions rapidly and at a grand scale.”

    The initial call for ideas in 2020 yielded nearly 100 letters of interest from almost 400 faculty members and senior researchers, representing 90 percent of MIT departments. After an extensive evaluation, 27 finalist teams received a total of $2.7 million to develop comprehensive research and innovation plans. The projects address four broad research themes:

    To select the winning projects, research plans were reviewed by panels of international experts representing relevant scientific and technical domains as well as experts in processes and policies for innovation and scalability.

    “In response to climate change, the world really needs to do two things quickly: deploy the solutions we already have much more widely, and develop new solutions that are urgently needed to tackle this intensifying threat,” says Maria Zuber, MIT vice president for research. “These five flagship projects exemplify MIT’s strong determination to bring its knowledge and expertise to bear in generating new ideas and solutions that will help solve the climate problem.”

    “The Climate Grand Challenges flagship projects set a new standard for inclusive climate solutions that can be adapted and implemented across the globe,” says MIT Chancellor Melissa Nobles. “This competition propels the entire MIT research community — faculty, students, postdocs, and staff — to act with urgency around a worsening climate crisis, and I look forward to seeing the difference these projects can make.”

    “MIT’s efforts on climate research amid the climate crisis was a primary reason that I chose to attend MIT, and remains a reason that I view the Institute favorably. MIT has a clear opportunity to be a thought leader in the climate space in our own MIT way, which is why CGC fits in so well,” says senior Megan Xu, who served on the Climate Grand Challenges student committee and is studying ways to make the food system more sustainable.

    The Climate Grand Challenges competition is a key initiative of “Fast Forward: MIT’s Climate Action Plan for the Decade,” which the Institute published in May 2021. Fast Forward outlines MIT’s comprehensive plan for helping the world address the climate crisis. It consists of five broad areas of action: sparking innovation, educating future generations, informing and leveraging government action, reducing MIT’s own climate impact, and uniting and coordinating all of MIT’s climate efforts. More

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    Emery Brown earns American Institute for Medical and Biological Engineering Pierre Galletti Award

    The American Institute for Medical and Biological Engineering has awarded its highest honor this year to Emery N. Brown, the Edward Hood Taplin Professor of Computational Neuroscience and Health Sciences and Technology in The Picower Institute for Learning and Memory and the Institute for Medical Engineering and Science at MIT.

    Brown, who is also an anesthesiologist at Massachusetts General Hospital and the Warren M. Zapol Professor at Harvard Medical School, received the 2022 Pierre M. Galletti Award during the national organization’s Annual Event held on March 25.

    For decades, Brown’s lab has uniquely unified three fields: neuroscience, statistics, and anesthesiology. He is renowned for the development of statistical methods and signal-processing algorithms to enable and improve analysis of neural activity measurements. The work has had numerous applications including studies of learning and memory, brain-computer interfaces, and systems neuroscience. He has also pioneered investigations of how general anesthetic drugs work in the brain to induce and maintain simultaneous but reversible states of unconsciousness, amnesia, immobility, and analgesia. Building on these improvements in fundamental understanding, his lab engineers systems to improve monitoring of patient state and anesthetic dosing during surgery. Optimizing doses of general anesthetic drugs can improve patient care in many ways, including by minimizing side effects such as post-operative delirium and by improving post-operative pain management.

    AIMBE said Brown earned the award in recognition of his “significant contributions to neuroscience data analysis and for characterizing the neurophysiology of anesthesia-induced unconsciousness and demonstrating how it can be reliably monitored in real time using electroencephalogram recordings.”

    Brown, who is also a faculty member in MIT’s Department of Brain and Cognitive Sciences, is now working to develop a research center at MIT dedicated to taking neuroscience-based approaches to advance anesthesiology.

    “I am extremely honored and grateful to the AIMBE for choosing me to receive the 2022 Galletti Award in recognition of my research deciphering the neuroscience of how anesthetics work,” he says. “I would like to express my gratitude to my collaborators, post-doctoral fellows, students, research assistants, and clinical coordinators who have made this possible.” More

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    Does this artificial intelligence think like a human?

    In machine learning, understanding why a model makes certain decisions is often just as important as whether those decisions are correct. For instance, a machine-learning model might correctly predict that a skin lesion is cancerous, but it could have done so using an unrelated blip on a clinical photo.

    While tools exist to help experts make sense of a model’s reasoning, often these methods only provide insights on one decision at a time, and each must be manually evaluated. Models are commonly trained using millions of data inputs, making it almost impossible for a human to evaluate enough decisions to identify patterns.

    Now, researchers at MIT and IBM Research have created a method that enables a user to aggregate, sort, and rank these individual explanations to rapidly analyze a machine-learning model’s behavior. Their technique, called Shared Interest, incorporates quantifiable metrics that compare how well a model’s reasoning matches that of a human.

    Shared Interest could help a user easily uncover concerning trends in a model’s decision-making — for example, perhaps the model often becomes confused by distracting, irrelevant features, like background objects in photos. Aggregating these insights could help the user quickly and quantitatively determine whether a model is trustworthy and ready to be deployed in a real-world situation.

    “In developing Shared Interest, our goal is to be able to scale up this analysis process so that you could understand on a more global level what your model’s behavior is,” says lead author Angie Boggust, a graduate student in the Visualization Group of the Computer Science and Artificial Intelligence Laboratory (CSAIL).

    Boggust wrote the paper with her advisor, Arvind Satyanarayan, an assistant professor of computer science who leads the Visualization Group, as well as Benjamin Hoover and senior author Hendrik Strobelt, both of IBM Research. The paper will be presented at the Conference on Human Factors in Computing Systems.

    Boggust began working on this project during a summer internship at IBM, under the mentorship of Strobelt. After returning to MIT, Boggust and Satyanarayan expanded on the project and continued the collaboration with Strobelt and Hoover, who helped deploy the case studies that show how the technique could be used in practice.

    Human-AI alignment

    Shared Interest leverages popular techniques that show how a machine-learning model made a specific decision, known as saliency methods. If the model is classifying images, saliency methods highlight areas of an image that are important to the model when it made its decision. These areas are visualized as a type of heatmap, called a saliency map, that is often overlaid on the original image. If the model classified the image as a dog, and the dog’s head is highlighted, that means those pixels were important to the model when it decided the image contains a dog.

    Shared Interest works by comparing saliency methods to ground-truth data. In an image dataset, ground-truth data are typically human-generated annotations that surround the relevant parts of each image. In the previous example, the box would surround the entire dog in the photo. When evaluating an image classification model, Shared Interest compares the model-generated saliency data and the human-generated ground-truth data for the same image to see how well they align.

    The technique uses several metrics to quantify that alignment (or misalignment) and then sorts a particular decision into one of eight categories. The categories run the gamut from perfectly human-aligned (the model makes a correct prediction and the highlighted area in the saliency map is identical to the human-generated box) to completely distracted (the model makes an incorrect prediction and does not use any image features found in the human-generated box).

    “On one end of the spectrum, your model made the decision for the exact same reason a human did, and on the other end of the spectrum, your model and the human are making this decision for totally different reasons. By quantifying that for all the images in your dataset, you can use that quantification to sort through them,” Boggust explains.

    The technique works similarly with text-based data, where key words are highlighted instead of image regions.

    Rapid analysis

    The researchers used three case studies to show how Shared Interest could be useful to both nonexperts and machine-learning researchers.

    In the first case study, they used Shared Interest to help a dermatologist determine if he should trust a machine-learning model designed to help diagnose cancer from photos of skin lesions. Shared Interest enabled the dermatologist to quickly see examples of the model’s correct and incorrect predictions. Ultimately, the dermatologist decided he could not trust the model because it made too many predictions based on image artifacts, rather than actual lesions.

    “The value here is that using Shared Interest, we are able to see these patterns emerge in our model’s behavior. In about half an hour, the dermatologist was able to make a confident decision of whether or not to trust the model and whether or not to deploy it,” Boggust says.

    In the second case study, they worked with a machine-learning researcher to show how Shared Interest can evaluate a particular saliency method by revealing previously unknown pitfalls in the model. Their technique enabled the researcher to analyze thousands of correct and incorrect decisions in a fraction of the time required by typical manual methods.

    In the third case study, they used Shared Interest to dive deeper into a specific image classification example. By manipulating the ground-truth area of the image, they were able to conduct a what-if analysis to see which image features were most important for particular predictions.   

    The researchers were impressed by how well Shared Interest performed in these case studies, but Boggust cautions that the technique is only as good as the saliency methods it is based upon. If those techniques contain bias or are inaccurate, then Shared Interest will inherit those limitations.

    In the future, the researchers want to apply Shared Interest to different types of data, particularly tabular data which is used in medical records. They also want to use Shared Interest to help improve current saliency techniques. Boggust hopes this research inspires more work that seeks to quantify machine-learning model behavior in ways that make sense to humans.

    This work is funded, in part, by the MIT-IBM Watson AI Lab, the United States Air Force Research Laboratory, and the United States Air Force Artificial Intelligence Accelerator. More

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    Ocean vital signs

    Without the ocean, the climate crisis would be even worse than it is. Each year, the ocean absorbs billions of tons of carbon from the atmosphere, preventing warming that greenhouse gas would otherwise cause. Scientists estimate about 25 to 30 percent of all carbon released into the atmosphere by both human and natural sources is absorbed by the ocean.

    “But there’s a lot of uncertainty in that number,” says Ryan Woosley, a marine chemist and a principal research scientist in the Department of Earth, Atmospheric and Planetary Sciences (EAPS) at MIT. Different parts of the ocean take in different amounts of carbon depending on many factors, such as the season and the amount of mixing from storms. Current models of the carbon cycle don’t adequately capture this variation.

    To close the gap, Woosley and a team of other MIT scientists developed a research proposal for the MIT Climate Grand Challenges competition — an Institute-wide campaign to catalyze and fund innovative research addressing the climate crisis. The team’s proposal, “Ocean Vital Signs,” involves sending a fleet of sailing drones to cruise the oceans taking detailed measurements of how much carbon the ocean is really absorbing. Those data would be used to improve the precision of global carbon cycle models and improve researchers’ ability to verify emissions reductions claimed by countries.

    “If we start to enact mitigation strategies—either through removing CO2 from the atmosphere or reducing emissions — we need to know where CO2 is going in order to know how effective they are,” says Woosley. Without more precise models there’s no way to confirm whether observed carbon reductions were thanks to policy and people, or thanks to the ocean.

    “So that’s the trillion-dollar question,” says Woosley. “If countries are spending all this money to reduce emissions, is it enough to matter?”

    In February, the team’s Climate Grand Challenges proposal was named one of 27 finalists out of the almost 100 entries submitted. From among this list of finalists, MIT will announce in April the selection of five flagship projects to receive further funding and support.

    Woosley is leading the team along with Christopher Hill, a principal research engineer in EAPS. The team includes physical and chemical oceanographers, marine microbiologists, biogeochemists, and experts in computational modeling from across the department, in addition to collaborators from the Media Lab and the departments of Mathematics, Aeronautics and Astronautics, and Electrical Engineering and Computer Science.

    Today, data on the flux of carbon dioxide between the air and the oceans are collected in a piecemeal way. Research ships intermittently cruise out to gather data. Some commercial ships are also fitted with sensors. But these present a limited view of the entire ocean, and include biases. For instance, commercial ships usually avoid storms, which can increase the turnover of water exposed to the atmosphere and cause a substantial increase in the amount of carbon absorbed by the ocean.

    “It’s very difficult for us to get to it and measure that,” says Woosley. “But these drones can.”

    If funded, the team’s project would begin by deploying a few drones in a small area to test the technology. The wind-powered drones — made by a California-based company called Saildrone — would autonomously navigate through an area, collecting data on air-sea carbon dioxide flux continuously with solar-powered sensors. This would then scale up to more than 5,000 drone-days’ worth of observations, spread over five years, and in all five ocean basins.

    Those data would be used to feed neural networks to create more precise maps of how much carbon is absorbed by the oceans, shrinking the uncertainties involved in the models. These models would continue to be verified and improved by new data. “The better the models are, the more we can rely on them,” says Woosley. “But we will always need measurements to verify the models.”

    Improved carbon cycle models are relevant beyond climate warming as well. “CO2 is involved in so much of how the world works,” says Woosley. “We’re made of carbon, and all the other organisms and ecosystems are as well. What does the perturbation to the carbon cycle do to these ecosystems?”

    One of the best understood impacts is ocean acidification. Carbon absorbed by the ocean reacts to form an acid. A more acidic ocean can have dire impacts on marine organisms like coral and oysters, whose calcium carbonate shells and skeletons can dissolve in the lower pH. Since the Industrial Revolution, the ocean has become about 30 percent more acidic on average.

    “So while it’s great for us that the oceans have been taking up the CO2, it’s not great for the oceans,” says Woosley. “Knowing how this uptake affects the health of the ocean is important as well.” More

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    System helps severely motor-impaired individuals type more quickly and accurately

    In 1995, French fashion magazine editor Jean-Dominique Bauby suffered a seizure while driving a car, which left him with a condition known as locked-in syndrome, a neurological disease in which the patient is completely paralyzed and can only move muscles that control the eyes.

    Bauby, who had signed a book contract shortly before his accident, wrote the memoir “The Diving Bell and the Butterfly” using a dictation system in which his speech therapist recited the alphabet and he would blink when she said the correct letter. They wrote the 130-page book one blink at a time.

    Technology has come a long way since Bauby’s accident. Many individuals with severe motor impairments caused by locked-in syndrome, cerebral palsy, amyotrophic lateral sclerosis, or other conditions can communicate using computer interfaces where they select letters or words in an onscreen grid by activating a single switch, often by pressing a button, releasing a puff of air, or blinking.

    But these row-column scanning systems are very rigid, and, similar to the technique used by Bauby’s speech therapist, they highlight each option one at a time, making them frustratingly slow for some users. And they are not suitable for tasks where options can’t be arranged in a grid, like drawing, browsing the web, or gaming.

    A more flexible system being developed by researchers at MIT places individual selection indicators next to each option on a computer screen. The indicators can be placed anywhere — next to anything someone might click with a mouse — so a user does not need to cycle through a grid of choices to make selections. The system, called Nomon, incorporates probabilistic reasoning to learn how users make selections, and then adjusts the interface to improve their speed and accuracy.

    Participants in a user study were able to type faster using Nomon than with a row-column scanning system. The users also performed better on a picture selection task, demonstrating how Nomon could be used for more than typing.

    “It is so cool and exciting to be able to develop software that has the potential to really help people. Being able to find those signals and turn them into communication as we are used to it is a really interesting problem,” says senior author Tamara Broderick, an associate professor in the MIT Department of Electrical Engineering and Computer Science (EECS) and a member of the Laboratory for Information and Decision Systems and the Institute for Data, Systems, and Society.

    Joining Broderick on the paper are lead author Nicholas Bonaker, an EECS graduate student; Emli-Mari Nel, head of innovation and machine learning at Averly and a visiting lecturer at the University of Witwatersrand in South Africa; and Keith Vertanen, an associate professor at Michigan Tech. The research is being presented at the ACM Conference on Human Factors in Computing Systems.

    On the clock

    In the Nomon interface, a small analog clock is placed next to every option the user can select. (A gnomon is the part of a sundial that casts a shadow.) The user looks at one option and then clicks their switch when that clock’s hand passes a red “noon” line. After each click, the system changes the phases of the clocks to separate the most probable next targets. The user clicks repeatedly until their target is selected.

    When used as a keyboard, Nomon’s machine-learning algorithms try to guess the next word based on previous words and each new letter as the user makes selections.

    Broderick developed a simplified version of Nomon several years ago but decided to revisit it to make the system easier for motor-impaired individuals to use. She enlisted the help of then-undergraduate Bonaker to redesign the interface.

    They first consulted nonprofit organizations that work with motor-impaired individuals, as well as a motor-impaired switch user, to gather feedback on the Nomon design.

    Then they designed a user study that would better represent the abilities of motor-impaired individuals. They wanted to make sure to thoroughly vet the system before using much of the valuable time of motor-impaired users, so they first tested on non-switch users, Broderick explains.

    Switching up the switch

    To gather more representative data, Bonaker devised a webcam-based switch that was harder to use than simply clicking a key. The non-switch users had to lean their bodies to one side of the screen and then back to the other side to register a click.

    “And they have to do this at precisely the right time, so it really slows them down. We did some empirical studies which showed that they were much closer to the response times of motor-impaired individuals,” Broderick says.

    They ran a 10-session user study with 13 non-switch participants and one single-switch user with an advanced form of spinal muscular dystrophy. In the first nine sessions, participants used Nomon and a row-column scanning interface for 20 minutes each to perform text entry, and in the 10th session they used the two systems for a picture selection task.

    Non-switch users typed 15 percent faster using Nomon, while the motor-impaired user typed even faster than the non-switch users. When typing unfamiliar words, the users were 20 percent faster overall and made half as many errors. In their final session, they were able to complete the picture selection task 36 percent faster using Nomon.

    “Nomon is much more forgiving than row-column scanning. With row-column scanning, even if you are just slightly off, now you’ve chosen B instead of A and that’s an error,” Broderick says.

    Adapting to noisy clicks

    With its probabilistic reasoning, Nomon incorporates everything it knows about where a user is likely to click to make the process faster, easier, and less error-prone. For instance, if the user selects “Q,” Nomon will make it as easy as possible for the user to select “U” next.

    Nomon also learns how a user clicks. So, if the user always clicks a little after the clock’s hand strikes noon, the system adapts to that in real time. It also adapts to noisiness. If a user’s click is often off the mark, the system requires extra clicks to ensure accuracy.

    This probabilistic reasoning makes Nomon powerful but also requires a higher click-load than row-column scanning systems. Clicking multiple times can be a trying task for severely motor-impaired users.

    Broderick hopes to reduce the click-load by incorporating gaze tracking into Nomon, which would give the system more robust information about what a user might choose next based on which part of the screen they are looking at. The researchers also want to find a better way to automatically adjust the clock speeds to help users be more accurate and efficient.

    They are working on a new series of studies in which they plan to partner with more motor-impaired users.

    “So far, the feedback from motor-impaired users has been invaluable to us; we’re very grateful to the motor-impaired user who commented on our initial interface and the separate motor-impaired user who participated in our study. We’re currently extending our study to work with a bigger and more diverse group of our target population. With their help, we’re already making further improvements to our interface and working to better understand the performance of Nomon,” she says.

    “Nonspeaking individuals with motor disabilities are currently not provided with efficient communication solutions for interacting with either speaking partners or computer systems. This ‘communication gap’ is a known unresolved problem in human-computer interaction, and so far there are no good solutions. This paper demonstrates that a highly creative approach underpinned by a statistical model can provide tangible performance gains to the users who need it the most: nonspeaking individuals reliant on a single switch to communicate,” says Per Ola Kristensson, professor of interactive systems engineering at Cambridge University, who was not involved with this research. “The paper also demonstrates the value of complementing insights from computational experiments with the involvement of end-users and other stakeholders in the design process. I find this a highly creative and important paper in an area where it is notoriously difficult to make significant progress.”

    This research was supported, in part, by the Seth Teller Memorial Fund to Advanced Technology for People with Disabilities, a Peter J. Eloranta Summer Undergraduate Research Fellowship, the MIT Quest for Intelligence, and the National Science Foundation. More

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    Generating new molecules with graph grammar

    Chemical engineers and materials scientists are constantly looking for the next revolutionary material, chemical, and drug. The rise of machine-learning approaches is expediting the discovery process, which could otherwise take years. “Ideally, the goal is to train a machine-learning model on a few existing chemical samples and then allow it to produce as many manufacturable molecules of the same class as possible, with predictable physical properties,” says Wojciech Matusik, professor of electrical engineering and computer science at MIT. “If you have all these components, you can build new molecules with optimal properties, and you also know how to synthesize them. That’s the overall vision that people in that space want to achieve”

    However, current techniques, mainly deep learning, require extensive datasets for training models, and many class-specific chemical datasets contain a handful of example compounds, limiting their ability to generalize and generate physical molecules that could be created in the real world.

    Now, a new paper from researchers at MIT and IBM tackles this problem using a generative graph model to build new synthesizable molecules within the same chemical class as their training data. To do this, they treat the formation of atoms and chemical bonds as a graph and develop a graph grammar — a linguistics analogy of systems and structures for word ordering — that contains a sequence of rules for building molecules, such as monomers and polymers. Using the grammar and production rules that were inferred from the training set, the model can not only reverse engineer its examples, but can create new compounds in a systematic and data-efficient way. “We basically built a language for creating molecules,” says Matusik “This grammar essentially is the generative model.”

    Matusik’s co-authors include MIT graduate students Minghao Guo, who is the lead author, and Beichen Li as well as Veronika Thost, Payal Das, and Jie Chen, research staff members with IBM Research. Matusik, Thost, and Chen are affiliated with the MIT-IBM Watson AI Lab. Their method, which they’ve called data-efficient graph grammar (DEG), will be presented at the International Conference on Learning Representations.

    “We want to use this grammar representation for monomer and polymer generation, because this grammar is explainable and expressive,” says Guo. “With only a few number of the production rules, we can generate many kinds of structures.”

    A molecular structure can be thought of as a symbolic representation in a graph — a string of atoms (nodes) joined together by chemical bonds (edges). In this method, the researchers allow the model to take the chemical structure and collapse a substructure of the molecule down to one node; this may be two atoms connected by a bond, a short sequence of bonded atoms, or a ring of atoms. This is done repeatedly, creating the production rules as it goes, until a single node remains. The rules and grammar then could be applied in the reverse order to recreate the training set from scratch or combined in different combinations to produce new molecules of the same chemical class.

    “Existing graph generation methods would produce one node or one edge sequentially at a time, but we are looking at higher-level structures and, specifically, exploiting chemistry knowledge, so that we don’t treat the individual atoms and bonds as the unit. This simplifies the generation process and also makes it more data-efficient to learn,” says Chen.

    Further, the researchers optimized the technique so that the bottom-up grammar was relatively simple and straightforward, such that it fabricated molecules that could be made.

    “If we switch the order of applying these production rules, we would get another molecule; what’s more, we can enumerate all the possibilities and generate tons of them,” says Chen. “Some of these molecules are valid and some of them not, so the learning of the grammar itself is actually to figure out a minimal collection of production rules, such that the percentage of molecules that can actually be synthesized is maximized.” While the researchers concentrated on three training sets of less than 33 samples each — acrylates, chain extenders, and isocyanates — they note that the process could be applied to any chemical class.

    To see how their method performed, the researchers tested DEG against other state-of-the-art models and techniques, looking at percentages of chemically valid and unique molecules, diversity of those created, success rate of retrosynthesis, and percentage of molecules belonging to the training data’s monomer class.

    “We clearly show that, for the synthesizability and membership, our algorithm outperforms all the existing methods by a very large margin, while it’s comparable for some other widely-used metrics,” says Guo. Further, “what is amazing about our algorithm is that we only need about 0.15 percent of the original dataset to achieve very similar results compared to state-of-the-art approaches that train on tens of thousands of samples. Our algorithm can specifically handle the problem of data sparsity.”

    In the immediate future, the team plans to address scaling up this grammar learning process to be able to generate large graphs, as well as produce and identify chemicals with desired properties.

    Down the road, the researchers see many applications for the DEG method, as it’s adaptable beyond generating new chemical structures, the team points out. A graph is a very flexible representation, and many entities can be symbolized in this form — robots, vehicles, buildings, and electronic circuits, for example. “Essentially, our goal is to build up our grammar, so that our graphic representation can be widely used across many different domains,” says Guo, as “DEG can automate the design of novel entities and structures,” says Chen.

    This research was supported, in part, by the MIT-IBM Watson AI Lab and Evonik. More

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    Improving predictions of sea level rise for the next century

    When we think of climate change, one of the most dramatic images that comes to mind is the loss of glacial ice. As the Earth warms, these enormous rivers of ice become a casualty of the rising temperatures. But, as ice sheets retreat, they also become an important contributor to one the more dangerous outcomes of climate change: sea-level rise. At MIT, an interdisciplinary team of scientists is determined to improve sea level rise predictions for the next century, in part by taking a closer look at the physics of ice sheets.

    Last month, two research proposals on the topic, led by Brent Minchew, the Cecil and Ida Green Career Development Professor in the Department of Earth, Atmospheric and Planetary Sciences (EAPS), were announced as finalists in the MIT Climate Grand Challenges initiative. Launched in July 2020, Climate Grand Challenges fielded almost 100 project proposals from collaborators across the Institute who heeded the bold charge: to develop research and innovations that will deliver game-changing advances in the world’s efforts to address the climate challenge.

    As finalists, Minchew and his collaborators from the departments of Urban Studies and Planning, Economics, Civil and Environmental Engineering, the Haystack Observatory, and external partners, received $100,000 to develop their research plans. A subset of the 27 proposals tapped as finalists will be announced next month, making up a portfolio of multiyear “flagship” projects receiving additional funding and support.

    One goal of both Minchew proposals is to more fully understand the most fundamental processes that govern rapid changes in glacial ice, and to use that understanding to build next-generation models that are more predictive of ice sheet behavior as they respond to, and influence, climate change.

    “We need to develop more accurate and computationally efficient models that provide testable projections of sea-level rise over the coming decades. To do so quickly, we want to make better and more frequent observations and learn the physics of ice sheets from these data,” says Minchew. “For example, how much stress do you have to apply to ice before it breaks?”

    Currently, Minchew’s Glacier Dynamics and Remote Sensing group uses satellites to observe the ice sheets on Greenland and Antarctica primarily with interferometric synthetic aperture radar (InSAR). But the data are often collected over long intervals of time, which only gives them “before and after” snapshots of big events. By taking more frequent measurements on shorter time scales, such as hours or days, they can get a more detailed picture of what is happening in the ice.

    “Many of the key unknowns in our projections of what ice sheets are going to look like in the future, and how they’re going to evolve, involve the dynamics of glaciers, or our understanding of how the flow speed and the resistances to flow are related,” says Minchew.

    At the heart of the two proposals is the creation of SACOS, the Stratospheric Airborne Climate Observatory System. The group envisions developing solar-powered drones that can fly in the stratosphere for months at a time, taking more frequent measurements using a new lightweight, low-power radar and other high-resolution instrumentation. They also propose air-dropping sensors directly onto the ice, equipped with seismometers and GPS trackers to measure high-frequency vibrations in the ice and pinpoint the motions of its flow.

    How glaciers contribute to sea level rise

    Current climate models predict an increase in sea levels over the next century, but by just how much is still unclear. Estimates are anywhere from 20 centimeters to two meters, which is a large difference when it comes to enacting policy or mitigation. Minchew points out that response measures will be different, depending on which end of the scale it falls toward. If it’s closer to 20 centimeters, coastal barriers can be built to protect low-level areas. But with higher surges, such measures become too expensive and inefficient to be viable, as entire portions of cities and millions of people would have to be relocated.

    “If we’re looking at a future where we could get more than a meter of sea level rise by the end of the century, then we need to know about that sooner rather than later so that we can start to plan and to do our best to prepare for that scenario,” he says.

    There are two ways glaciers and ice sheets contribute to rising sea levels: direct melting of the ice and accelerated transport of ice to the oceans. In Antarctica, warming waters melt the margins of the ice sheets, which tends to reduce the resistive stresses and allow ice to flow more quickly to the ocean. This thinning can also cause the ice shelves to be more prone to fracture, facilitating the calving of icebergs — events which sometimes cause even further acceleration of ice flow.

    Using data collected by SACOS, Minchew and his group can better understand what material properties in the ice allow for fracturing and calving of icebergs, and build a more complete picture of how ice sheets respond to climate forces. 

    “What I want is to reduce and quantify the uncertainties in projections of sea level rise out to the year 2100,” he says.

    From that more complete picture, the team — which also includes economists, engineers, and urban planning specialists — can work on developing predictive models and methods to help communities and governments estimate the costs associated with sea level rise, develop sound infrastructure strategies, and spur engineering innovation.

    Understanding glacier dynamics

    More frequent radar measurements and the collection of higher-resolution seismic and GPS data will allow Minchew and the team to develop a better understanding of the broad category of glacier dynamics — including calving, an important process in setting the rate of sea level rise which is currently not well understood.  

    “Some of what we’re doing is quite similar to what seismologists do,” he says. “They measure seismic waves following an earthquake, or a volcanic eruption, or things of this nature and use those observations to better understand the mechanisms that govern these phenomena.”

    Air-droppable sensors will help them collect information about ice sheet movement, but this method comes with drawbacks — like installation and maintenance, which is difficult to do out on a massive ice sheet that is moving and melting. Also, the instruments can each only take measurements at a single location. Minchew equates it to a bobber in water: All it can tell you is how the bobber moves as the waves disturb it.

    But by also taking continuous radar measurements from the air, Minchew’s team can collect observations both in space and in time. Instead of just watching the bobber in the water, they can effectively make a movie of the waves propagating out, as well as visualize processes like iceberg calving happening in multiple dimensions.

    Once the bobbers are in place and the movies recorded, the next step is developing machine learning algorithms to help analyze all the new data being collected. While this data-driven kind of discovery has been a hot topic in other fields, this is the first time it has been applied to glacier research.

    “We’ve developed this new methodology to ingest this huge amount of data,” he says, “and from that create an entirely new way of analyzing the system to answer these fundamental and critically important questions.”  More

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    in Data Management & Statistics

    Fighting discrimination in mortgage lending

    Although the U.S. Equal Credit Opportunity Act prohibits discrimination in mortgage lending, biases still impact many borrowers. One 2021 Journal of Financial Economics study found that borrowers from minority groups were charged interest rates that were nearly 8 percent higher and were rejected for loans 14 percent more often than those from privileged groups.

    When these biases bleed into machine-learning models that lenders use to streamline decision-making, they can have far-reaching consequences for housing fairness and even contribute to widening the racial wealth gap.

    If a model is trained on an unfair dataset, such as one in which a higher proportion of Black borrowers were denied loans versus white borrowers with the same income, credit score, etc., those biases will affect the model’s predictions when it is applied to real situations. To stem the spread of mortgage lending discrimination, MIT researchers created a process that removes bias in data that are used to train these machine-learning models.

    While other methods try to tackle this bias, the researchers’ technique is new in the mortgage lending domain because it can remove bias from a dataset that has multiple sensitive attributes, such as race and ethnicity, as well as several “sensitive” options for each attribute, such as Black or white, and Hispanic or Latino or non-Hispanic or Latino. Sensitive attributes and options are features that distinguish a privileged group from an underprivileged group.

    The researchers used their technique, which they call DualFair, to train a machine-learning classifier that makes fair predictions of whether borrowers will receive a mortgage loan. When they applied it to mortgage lending data from several U.S. states, their method significantly reduced the discrimination in the predictions while maintaining high accuracy.

    “As Sikh Americans, we deal with bias on a frequent basis and we think it is unacceptable to see that transform to algorithms in real-world applications. For things like mortgage lending and financial systems, it is very important that bias not infiltrate these systems because it can emphasize the gaps that are already in place against certain groups,” says Jashandeep Singh, a senior at Floyd Buchanan High School and co-lead author of the paper with his twin brother, Arashdeep. The Singh brothers were recently accepted into MIT.

    Joining Arashdeep and Jashandeep Singh on the paper are MIT sophomore Ariba Khan and senior author Amar Gupta, a researcher in the Computer Science and Artificial Intelligence Laboratory at MIT, who studies the use of evolving technology to address inequity and other societal issues. The research was recently published online and will appear in a special issue of Machine Learning and Knowledge Extraction.

    Double take

    DualFair tackles two types of bias in a mortgage lending dataset — label bias and selection bias. Label bias occurs when the balance of favorable or unfavorable outcomes for a particular group is unfair. (Black applicants are denied loans more frequently than they should be.) Selection bias is created when data are not representative of the larger population. (The dataset only includes individuals from one neighborhood where incomes are historically low.)

    The DualFair process eliminates label bias by subdividing a dataset into the largest number of subgroups based on combinations of sensitive attributes and options, such as white men who are not Hispanic or Latino, Black women who are Hispanic or Latino, etc.

    By breaking down the dataset into as many subgroups as possible, DualFair can simultaneously address discrimination based on multiple attributes.

    “Researchers have mostly tried to classify biased cases as binary so far. There are multiple parameters to bias, and these multiple parameters have their own impact in different cases. They are not equally weighed. Our method is able to calibrate it much better,” says Gupta.

    After the subgroups have been generated, DualFair evens out the number of borrowers in each subgroup by duplicating individuals from minority groups and deleting individuals from the majority group. DualFair then balances the proportion of loan acceptances and rejections in each subgroup so they match the median in the original dataset before recombining the subgroups.

    DualFair then eliminates selection bias by iterating on each data point to see if discrimination is present. For instance, if an individual is a non-Hispanic or Latino Black woman who was rejected for a loan, the system will adjust her race, ethnicity, and gender one at a time to see if the outcome changes. If this borrower is granted a loan when her race is changed to white, DualFair considers that data point biased and removes it from the dataset.

    Fairness vs. accuracy

    To test DualFair, the researchers used the publicly available Home Mortgage Disclosure Act dataset, which spans 88 percent of all mortgage loans in the U.S. in 2019, and includes 21 features, including race, sex, and ethnicity. They used DualFair to “de-bias” the entire dataset and smaller datasets for six states, and then trained a machine-learning model to predict loan acceptances and rejections.

    After applying DualFair, the fairness of predictions increased while the accuracy level remained high across all states. They used an existing fairness metric known as average odds difference, but it can only measure fairness in one sensitive attribute at a time.

    So, they created their own fairness metric, called alternate world index, that considers bias from multiple sensitive attributes and options as a whole. Using this metric, they found that DualFair increased fairness in predictions for four of the six states while maintaining high accuracy.

    “It is the common belief that if you want to be accurate, you have to give up on fairness, or if you want to be fair, you have to give up on accuracy. We show that we can make strides toward lessening that gap,” Khan says.

    The researchers now want to apply their method to de-bias different types of datasets, such as those that capture health care outcomes, car insurance rates, or job applications. They also plan to address limitations of DualFair, including its instability when there are small amounts of data with multiple sensitive attributes and options.

    While this is only a first step, the researchers are hopeful their work can someday have an impact on mitigating bias in lending and beyond.

    “Technology, very bluntly, works only for a certain group of people. In the mortgage loan domain in particular, African American women have been historically discriminated against. We feel passionate about making sure that systemic racism does not extend to algorithmic models. There is no point in making an algorithm that can automate a process if it doesn’t work for everyone equally,” says Khan.

    This research is supported, in part, by the FinTech@CSAIL initiative. More