Introduction to the AI-Powered Era

AI's Role in Innovation

 Innovation with AI: Artificial intelligence is driving a new era of innovation in

scientific research. This helps America stay a leader in science.
 Challenges and Solutions: AI can help tackle big challenges in areas like energy,
climate, and healthcare.
 Benefits: Using AI responsibly can improve society by providing clean water,
abundant electricity, and better health.

Realizing New Possibilities

 Unimagined Possibilities: AI allows scientists to achieve things that were

previously impossible.
 Health Advances: AI is already helping to address tough health problems like
cancer, autoimmune diseases, neurodegenerative disorders, and drug-resistant
infections.
 Materials Science: AI is leading to new discoveries in materials science, like next-
generation batteries, superconductors, and computer chips.

AI for Planning and Policy

 Digital Twins: AI can create high-fidelity models of the world, called "digital
twins," which help in planning and policymaking by predicting outcomes.

Impact of AI on Scientific Research

Acceleration of Science

 Traditional Methods: Science has traditionally used experiments, theory, and

numerical models.
 Data-Driven Discovery: A new method, data-driven discovery, has emerged
thanks to AI.
 Challenges: All these methods have their challenges, such as slow and expensive
experiments, complex theories, and resource-intensive models.
 AI Solutions: AI helps overcome these challenges by identifying solutions
quickly, enriching simulations, and developing new data analysis methods.

Ensuring Responsible Use of AI

  Dual Use: AI can be used for both good and bad purposes.
 Ethical Supervision: It's important to use AI responsibly with expert and ethical
supervision to avoid negative consequences.

Specific Areas Where AI is Making a Difference

Healthcare

 Cancer: AI is aiding in cancer research and screening.

 Autoimmune Diseases: AI is being used to understand and treat autoimmune
diseases.
 Neurodegenerative Disorders: AI helps predict and manage diseases like
Alzheimer's.
 Drug-Resistant Infections: AI is discovering new antibiotics to fight drug-
resistant infections.

Materials Science

 Next-Generation Batteries: AI is helping to develop better batteries.

 Superconductors: AI aids in the discovery of new superconducting materials.
 Computer Chips: AI is improving the design of computer chips.

Planning and Decision Making with AI

Digital Twins

 Definition: Digital twins are detailed models of physical systems that are
updated with real-time data.
 Uses: These models help predict outcomes and make better decisions in complex
situations.

Conclusion
AI in Science

 Future of AI: AI is transforming science by speeding up research and solving

complex problems.
 Responsible Use: To maximize benefits, AI must be used responsibly and
ethically.
Introduction to AI in Science
AI's Potential

 Great Potential: AI has the power to accelerate science and technology,

benefiting society and the planet.
 Transforming Science: AI can change how science is done, expand human
knowledge, and help solve important problems.

Areas of Impact

 Seven Areas: This report highlights seven areas where AI can make a big
difference in science.

What is AI and Machine Learning?

Understanding AI

 AI Definition: AI includes technologies that perform tasks previously done by

humans.
 Machine Learning (ML): A type of AI that uses statistical methods to learn from
large datasets.

How AI Works

 Training AI Models: AI models are trained on data to find patterns and make
predictions.
 No Deep Understanding: AI does not truly understand tasks but can perform
them well.

Everyday Uses of AI

 Email Filters: AI helps sort junk email and prioritize important messages.
 Smartphones: AI in phones can recognize speech, identify users through facial
recognition, and translate text.
 Cars: AI assists in driving with features like self-piloting and sensors for road
safety.

Challenges of AI
  Opaque Processes: AI's decision-making is not always clear and can be incorrect.
 Data Issues: AI can use data that is private or protected by intellectual property
rights.
 Bias: AI can inherit biases from the data it is trained on, leading to biased results.

Government Guidelines

 AI Bill of Rights: Principles to mitigate algorithmic bias and other issues.

 NIST AI Risk Management Framework: Measures to reduce negative outcomes
from AI.
 OMB Memo: Guidance for federal agencies on using AI responsibly.

Generative AI
What is Generative AI?

 Generative AI Definition: A type of AI that creates new content, such as text,

images, and scientific models.

Examples of Generative AI

 Large Language Models: Examples include ChatGPT, Gemini, Claude, and

LLaMA.
 Image Generation: Tools like Midjourney and DALL-E create images from
prompts.
 Scientific Models: AlphaFold, RoseTTAfold, and ChemBERTa help with scientific
discoveries.

How Generative AI Works

 Deep Neural Networks: These models are trained on large amounts of data and
refined with human input.
 Creating Content: Generative AI uses learned patterns to produce content
similar to what a human might create.

Improvements

 Reinforcement Learning: AI models can improve by learning from human

feedback.
Areas of Science Transformed by AI
Current State

 State-of-the-Art: AI is starting to be used in different fields to overcome

challenges.

Mid-to-Long-Term Benefits

 Expected Benefits: AI can help achieve significant advancements in various

scientific areas.

Challenges

 Overcoming Challenges: There are still hurdles to address in fully integrating AI

into scientific research.

Findings and Recommendations

 Future Vision: Recommendations for using AI in science while managing

potential risks.

Introduction to Generative AI
What is Generative AI?

 Generative AI Definition: A new and rapidly developing technology that creates

new content like text and images.

General Weaknesses

 Hallucinations: Sometimes generative AI makes confident assertions that are not

true or creates images with unrealistic features.

Challenges with Accuracy

 Inaccuracy: AI can create believable but incorrect outputs due to the nature of
probabilistic models.
 Useful Imagination: In some creative applications, these imaginative processes
can be useful.
Issues and Improvements in Generative AI
Error Detection and Confidence Levels

 Error Detection: Research is being done to find out when AI models make
mistakes.
 Confidence Levels: Efforts are being made to give AI outputs a confidence score
to indicate reliability.

Computational and Resource Concerns

 High Resource Use: Training powerful AI models requires a lot of computational

power and energy.
 Centralization: Most advanced AI models are controlled by a few large tech
companies.

Mitigation Strategies

 Scientific Validation: Combining AI with other scientific tools and methods to

ensure accuracy.
 Curated Data Sets: Training AI on well-curated scientific data sets to reduce
errors.

Benefits of Generative AI
Economic Potential

 Economic Impact: Generative AI could add $2.6 trillion to $4.4 trillion annually to
the global economy.

Scientific Research

 Transformative Opportunities: AI can significantly advance scientific research

by enhancing tools and methods.

Sharing Resources

 Transparency and Reproducibility: Sharing data and training resources reduces

costs and facilitates validation of AI models.
Examples and References

 Scientific Models: Using curated scientific literature to train AI models.

 Physics-Informed Machine Learning: Discussed by Karniadakis, G.E. et al. (2021
May) in Nature Reviews Physics.

Responsible Use of AI
Malicious Applications and Risks

 Potential Risks: Advanced AI capabilities can be misused, presenting new

challenges.
 Scientific Integrity: There's a risk of over-relying on AI tools without proper
verification.

Leading in AI Development

 Global Leadership: Leading in AI development and setting best practices can

help mitigate risks.
 Addressing Global Problems: Applying AI responsibly to solve pressing global
issues.

Key References

 Blueprint for an AI Bill of Rights: The White House. (2022 October).

 AI Risk Management Framework: National Institute of Standards and
Technology. (2023 January).
 Economic Potential of Generative AI: McKinsey Digital. (2023 June).

Conclusion
Promise of Generative AI

 Potential Benefits: Despite its imperfections, generative AI holds tremendous

promise for various applications, especially in science and research.

A Vision for the Future of AI-Enabled Research and

Development
Introduction

Generative AI is a new technology that is still developing. It helps scientists in many

ways but needs more research and improvement. The future of AI in science will focus
on:

 Empowering human scientists

 Using AI responsibly
 Sharing AI resources

Key Areas for AI in Science

Empowering Human Scientists

 Supporting Researchers: AI helps scientists sort through large amounts of data to find
the most promising solutions. For example, AI can help identify potential new materials
for engineering, drugs for medicine, or chip designs for technology .

Responsible Use of AI

 Ensuring Accuracy: Scientists use AI models to prioritize likely solutions and reduce the
number of tests needed, saving time and money .
 Avoiding Over-Reliance: AI is a tool to assist, not replace, human creativity and
problem-solving .

Sharing AI Resources

 Accessibility: Sharing AI infrastructure, like high-performance computing, helps all

scientists access advanced tools, not just those at well-funded institutions .

Benefits of AI in Science

Handling Routine Tasks

 Saving Time: AI can help with secondary tasks like developing computer code, assisting
with writing reports, performing literature reviews, and learning new scientific fields .

Automating Laboratory Processes

 Labor-Saving Technologies: AI technologies like object recognition and generative AI

can control robots to perform complex experiments, freeing human scientists to focus on
design, analysis, and collaboration .
Examples of AI in Action

 Materials Design: Scientists use AI models to design new materials for various
applications .
 Drug Discovery: AI helps identify promising drug candidates faster by analyzing large
datasets .
 Chip Design: AI is used to create efficient designs for computer chips .
 Writing Assistance: AI tools assist in creating first drafts of scientific papers and reports,
although human authors remain responsible for the final content .

Conclusion

Collaborative Future

AI will empower scientists, but responsible use and sharing of resources are crucial. The
future of AI in science is one where human ingenuity and AI tools work together to solve
complex problems and make new discoveries.

AI in Science: Helping Scientists Do Their Jobs Better

Introduction

AI (Artificial Intelligence) can help scientists in many ways, from planning experiments to
understanding results. But it's important for human experts to keep an eye on these AI
tools to make sure they work correctly and safely.

Key Benefits of AI in Science

Making Hard Simulations Possible

 Speeding Up Computer Models: AI can help make complicated computer models faster
and more accurate. These models can simulate things like Earth's climate or how proteins
behave. For example, AI models can solve the Schrödinger equation for chemical
compounds more efficiently .

Sharing and Using AI Resources

 Saving Time and Money: By sharing AI models and data, scientists don't have to repeat
the same work. This makes research faster and cheaper .

Examples of AI in Action
Experimental Design

 Helping Plan Experiments: AI can suggest the best way to design an experiment based
on past data. This can make experiments more effective and less expensive.

Data Collection

 Automating Data Collection: AI can help collect and organize data more quickly and
accurately than humans can.

Data Interpretation

 Making Sense of Data: AI can analyze large amounts of data to find patterns and make
predictions. This helps scientists understand their results better.

AI Making Research More Accessible

Creating Shared Models and Data

 Building Foundation Models: AI foundation models are powerful tools that can be
customized for different scientific tasks. These models are shared with many researchers
to help them start their work quickly .
 Developing Digital Twins: Digital twins are AI-powered models that replicate real-world
systems, like weather patterns or human health. They help scientists test their ideas in a
virtual environment .

Making AI Affordable

 Lightweight Models: Smaller versions of big AI models can run on regular computers,
making them cheaper and more eco-friendly .
 NAIRR (National Artificial Intelligence Research Resource): This program helps
researchers access AI tools and data, even if they don't have a lot of money or resources .

Ensuring Safe and Fair Use of AI

Protecting Privacy and Reducing Bias

 Data Privacy: AI tools need high-quality data, but it's important to protect people's
privacy and reduce bias in the data .
 Government Guidelines: The U.S. government is setting rules to make sure AI is used
safely and fairly. For example, federal agencies follow practices to reduce AI risks .

Conclusion
AI can help scientists do their jobs better and faster, but it's important to use these tools
responsibly. By sharing AI resources and ensuring they are used safely, we can make
scientific research more effective and accessible to everyone.

AI in Science: Helping Scientists Do Their Jobs Better

Introduction

AI (Artificial Intelligence) can help scientists in many ways, from planning experiments to
understanding results. But it's important for human experts to keep an eye on these AI
tools to make sure they work correctly and safely.

Key Benefits of AI in Science

Making Hard Simulations Possible

 Speeding Up Computer Models: AI can help make complicated computer models faster
and more accurate. These models can simulate things like Earth's climate or how proteins
behave. For example, AI models can solve the Schrödinger equation for chemical
compounds more efficiently .

Sharing and Using AI Resources

 Saving Time and Money: By sharing AI models and data, scientists don't have to repeat
the same work. This makes research faster and cheaper .

Examples of AI in Action

Experimental Design

 Helping Plan Experiments: AI can suggest the best way to design an experiment based
on past data. This can make experiments more effective and less expensive.

Data Collection

 Automating Data Collection: AI can help collect and organize data more quickly and
accurately than humans can.

Data Interpretation

 Making Sense of Data: AI can analyze large amounts of data to find patterns and make
predictions. This helps scientists understand their results better.
AI Making Research More Accessible

Creating Shared Models and Data

 Building Foundation Models: AI foundation models are powerful tools that can be
customized for different scientific tasks. These models are shared with many researchers
to help them start their work quickly .
 Developing Digital Twins: Digital twins are AI-powered models that replicate real-world
systems, like weather patterns or human health. They help scientists test their ideas in a
virtual environment .

Making AI Affordable

 Lightweight Models: Smaller versions of big AI models can run on regular computers,
making them cheaper and more eco-friendly .
 NAIRR (National Artificial Intelligence Research Resource): This program helps
researchers access AI tools and data, even if they don't have a lot of money or resources .

Ensuring Safe and Fair Use of AI

Protecting Privacy and Reducing Bias

 Data Privacy: AI tools need high-quality data, but it's important to protect people's
privacy and reduce bias in the data .
 Government Guidelines: The U.S. government is setting rules to make sure AI is used
safely and fairly. For example, federal agencies follow practices to reduce AI risks .

AI in Multimodal Learning

Multimodal Foundation Models

 Combining Different Types of Data: Multimodal foundation models can learn from
different types of data, like text and images, to improve their performance. This helps
create more powerful AI systems that can handle complex tasks .
 Using Adaptors: Researchers are developing lightweight connector models, called
adaptors, to link different AI models together. This allows AI tools to work across various
scientific fields, opening up new opportunities for interdisciplinary research .

AI Enhancing Data Quality

Organizing and Cleaning Data

 Handling Big Data: AI can automatically organize and clean large data sets, making it
easier for scientists to work with complex and messy data .
 Superresolution: AI can improve the quality of images, making them clearer and more
detailed .

Generating Synthetic Data

 Creating New Data: AI can generate synthetic data to enhance real data sets, protect
privacy, and reduce bias. This helps scientists draw better conclusions from their research
.

Conclusion

AI can help scientists do their jobs better and faster, but it's important to use these tools
responsibly. By sharing AI resources and ensuring they are used safely, we can make
scientific research more effective and accessible to everyone.

AI in Science: Making Research Easier and Better

Introduction

AI (Artificial Intelligence) helps scientists do their jobs better and faster. It assists with
planning experiments, collecting data, and understanding results, but human experts
must ensure AI tools work correctly and safely.

Key Points of AI in Science

Helping Plan Experiments

 AI-Assisted Design: AI can suggest the best way to design an experiment based on past
data, making experiments more effective and less expensive.

Collecting and Organizing Data

 Automating Data Collection: AI helps collect and organize data quickly and accurately.
 Data Cleaning: AI removes errors and duplicates from data, improving its quality for
analysis.
Understanding Results

 Analyzing Big Data: AI can find patterns and make predictions from large amounts of
data, helping scientists understand their results better.
 Superresolution: AI improves the quality of images, making them clearer and more
detailed.

Making AI Accessible for Everyone

Sharing AI Models and Data

 Foundation Models: These powerful AI tools can be customized for different scientific
tasks and shared with many researchers, speeding up their work.
 NAIRR (National Artificial Intelligence Research Resource): This program provides
researchers with access to AI tools and data, even if they have limited resources.

Reducing Costs and Environmental Impact

 Lightweight Models: Smaller versions of big AI models run on regular computers,

making them cheaper and eco-friendly.

Ensuring Safe and Fair Use of AI

Protecting Privacy and Reducing Bias

 Data Privacy: AI tools need high-quality data while protecting people's privacy and
reducing bias.
 Government Guidelines: The U.S. government sets rules to ensure AI is used safely and
fairly.

New Ways to Collaborate

AI-Augmented Experts

 Human-AI Teams: AI tools will help researchers from different backgrounds work
together more effectively.
 Lay Contributions: The public can contribute to research through specialized chatbots
that provide accurate scientific information and collect feedback.

Responsible AI Practices
Ethical AI Use

 Best Practices: Scientists should cite AI models in their work and share details about the
specific model used.
 Attribution Tools: New tools help understand the sources of data used in AI models to
ensure proper credit and validation.

Examples of AI in Action

Experimental Design

 AI-Assisted Planning: AI can help plan experiments more effectively, saving time and
resources.

Data Interpretation

 Analyzing Large Data Sets: AI finds important patterns and correlations in large data
sets, helping scientists understand complex information.

Conclusion

AI helps scientists do their jobs better and faster, but it's important to use these tools
responsibly. By sharing AI resources and ensuring their safe use, we can make scientific
research more effective and accessible to everyone.

AI in Science: Making Research Easier and Better

Introduction

AI (Artificial Intelligence) helps scientists do their jobs better and faster. It assists with
planning experiments, collecting data, and understanding results, but human experts
must ensure AI tools work correctly and safely.

Key Points of AI in Science

Helping Plan Experiments

 AI-Assisted Design: AI can suggest the best way to design an experiment based on past
data, making experiments more effective and less expensive.
Collecting and Organizing Data

 Automating Data Collection: AI helps collect and organize data quickly and accurately.
 Data Cleaning: AI removes errors and duplicates from data, improving its quality for
analysis.

Understanding Results

 Analyzing Big Data: AI can find patterns and make predictions from large amounts of
data, helping scientists understand their results better.
 Superresolution: AI improves the quality of images, making them clearer and more
detailed.

Making AI Accessible for Everyone

Sharing AI Models and Data

 Foundation Models: These powerful AI tools can be customized for different scientific
tasks and shared with many researchers, speeding up their work.
 NAIRR (National Artificial Intelligence Research Resource): This program provides
researchers with access to AI tools and data, even if they have limited resources.

Reducing Costs and Environmental Impact

 Lightweight Models: Smaller versions of big AI models run on regular computers,

making them cheaper and eco-friendly.

Ensuring Safe and Fair Use of AI

Protecting Privacy and Reducing Bias

 Data Privacy: AI tools need high-quality data while protecting people's privacy and
reducing bias.
 Government Guidelines: The U.S. government sets rules to ensure AI is used safely and
fairly.

New Ways to Collaborate

AI-Augmented Experts

 Human-AI Teams: AI tools will help researchers from different backgrounds work
together more effectively.
  Lay Contributions: The public can contribute to research through specialized chatbots
that provide accurate scientific information and collect feedback.

Responsible AI Practices

Ethical AI Use

 Best Practices: Scientists should cite AI models in their work and share details about the
specific model used.
 Attribution Tools: New tools help understand the sources of data used in AI models to
ensure proper credit and validation.

Examples of AI in Action

Experimental Design

 AI-Assisted Planning: AI can help plan experiments more effectively, saving time and
resources.

Data Interpretation

 Analyzing Large Data Sets: AI finds important patterns and correlations in large data
sets, helping scientists understand complex information.

Conclusion

AI helps scientists do their jobs better and faster, but it's important to use these tools
responsibly. By sharing AI resources and ensuring their safe use, we can make scientific
research more effective and accessible to everyone.

Key Opportunities for AI to Supercharge Discovery and Address Global

and Societal Challenges

1. New Materials Discovery

 Generative AI: AI helps find new materials that can improve technology, healthcare, and
energy solutions.
 Examples: AI has designed millions of new materials, some of which are stable enough
for lab testing.
2. Advanced Scientific Collaborations

 Large-Scale Projects: AI allows scientists from different fields and countries to work
together on big projects.
 Examples: Creating a detailed Earth model that updates in real-time or finding new
room-temperature superconductors.

Key Resources for AI in Science

1. Open Science and Data Sharing

 Open Science by Design: Encourages sharing of AI models and data to promote

transparency and collaboration (National Academies of Sciences, Engineering, and
Medicine, 2018).

2. Privacy and Security

 Secure AI Models: Protecting sensitive data, such as medical information, while using AI
in research (Kaissis et al., 2020).

3. Reducing AI's Environmental Impact

 Energy-Efficient AI: Developing AI models that use less energy while still performing
well (Schuman et al., 2022).

Conclusion

AI has the potential to revolutionize science by making research more efficient,

collaborative, and accessible. However, it's important to use AI responsibly, protect
privacy, and reduce environmental impacts. With proper guidelines and resources, AI
can help address global challenges and improve our understanding of the world.

AI in Science: Easy Explanation for Kids

What is AI?

AI stands for Artificial Intelligence. It helps scientists do their work better and faster.
Think of it like a super-smart helper that can plan, organize, and understand things
quickly.

How AI Helps Scientists

1. Planning Experiments

 Example: AI helps scientists design better experiments by suggesting the best methods
based on past data.

2. Collecting and Organizing Data

 Example: AI can collect data from many sources and organize it neatly, so scientists can
find what they need quickly.

3. Understanding Results

 Example: AI can look at a lot of information and find patterns, making it easier for
scientists to understand their experiments.

Making AI Available to Everyone

1. Sharing AI Models and Data

 Foundation Models: These are powerful AI tools that scientists can share and
use for different tasks.
o Example: Scientists working on different projects can use the same AI model to
save time and resources.

 NAIRR (National Artificial Intelligence Research Resource): This program

helps researchers access AI tools and data, even if they don't have many
resources.

2. Reducing Costs and Environmental Impact

 Lightweight Models: These are smaller versions of big AI models that can run on
regular computers.
o Example: They are cheaper and better for the environment.

Keeping AI Safe and Fair

1. Protecting Privacy and Reducing Bias

 Data Privacy: AI tools need high-quality data while protecting people's privacy and
reducing bias.
o Example: Government guidelines make sure AI is used safely and fairly.
New Ways to Work Together

1. AI-Augmented Experts

 Human-AI Teams: AI tools help scientists from different backgrounds work together
more effectively.
o Example: Laypeople can contribute to research through chatbots that provide
accurate scientific information and collect feedback.

Responsible AI Practices

1. Ethical AI Use

 Best Practices: Scientists should give credit to AI models in their work and share details
about the specific model used.
o Example: New tools help understand the sources of data used in AI models to
ensure proper credit and validation.

Examples of AI in Action

1. Experimental Design

 Example: AI helps plan experiments more effectively, saving time and resources.

2. Data Interpretation

 Example: AI finds important patterns and correlations in large data sets, helping
scientists understand complex information.

Cool AI Projects

1. Discovering New Materials

 Generative AI: AI helps find new materials that can improve technology, healthcare, and
energy solutions.
o Example: AI has designed millions of new materials, some of which are stable
enough for lab testing.

2. Big Science Projects

 Large-Scale Projects: AI allows scientists from different fields and countries to work
together on big projects.
 o Example: Creating a detailed Earth model that updates in real-time or finding
new room-temperature superconductors.

Key Resources for AI in Science

1. Open Science and Data Sharing

 Open Science by Design: This encourages sharing of AI models and data to promote
transparency and collaboration.
o Example: National Academies of Sciences, Engineering, and Medicine, 2018.

2. Privacy and Security

 Secure AI Models: These protect sensitive data, such as medical information, while using
AI in research.
o Example: Kaissis et al., 2020.

3. Reducing AI's Environmental Impact

 Energy-Efficient AI: Developing AI models that use less energy while still performing
well.
o Example: Schuman et al., 2022.

The Future with AI

1. Advanced Semiconductors

 Designing Chips: AI helps design computer chips that are faster and more powerful.
o Example: AI tools can design chips with tens of billions of components, making
them more efficient.

2. Quantum Computing

 Next-Level Computers: AI helps build quantum computers, which can solve very
complex problems quickly.
o Example: Quantum computers can perform tasks that are too hard for regular
computers.

Conclusion

AI helps scientists do their jobs better and faster. It's important to use these tools
responsibly, protect privacy, and reduce environmental impacts. With proper guidelines
and resources, AI can help address global challenges and improve our understanding of
the world.

AI in Science: Easy Explanation for Kids

What is AI?

AI stands for Artificial Intelligence. It helps scientists do their work better and faster.
Think of it like a super-smart helper that can plan, organize, and understand things
quickly.

AI in Circuit Design

Faster and Smaller Circuits

 Example: AI tools can create circuits that are faster or smaller than those made with old
methods .

Learning to Improve Designs

 Reinforcement Learning: AI learns by trying different designs and getting rewards for
good ones and punishments for bad ones .

Automating Design

 Example: AI can automate the creation of chip components, saving a lot of time and
effort .

Faster Analysis

 Example: AI can predict how circuits will behave, speeding up the design process from
days to minutes .

AI Assistants

 Future: AI will help designers by answering questions, checking designs, and handling
routine tasks .

AI for Understanding Climate Change and Extreme Weather

Predicting Disasters

 Example: AI helps predict extreme weather events like hurricanes, floods, and wildfires,
which cause a lot of damage .

Detailed Models

 Old Methods: Supercomputers create weather models, but they are slow and not very
precise .

AI Improvements

 Better Predictions: AI can make weather and climate models more accurate and faster .

Real-Time Updates

 Example: AI can provide up-to-date information on weather patterns, helping

communities prepare for disasters .

AI for Climate Science

Improving Climate Models

 Example: AI can make climate models sharper and faster, helping predict future weather
changes more accurately.
 Downscaling: AI can upgrade low-resolution climate models to high-resolution ones,
providing detailed local climate predictions.

Real-Time Weather Prediction

 Example: AI can predict extreme weather events like wildfires and hurricanes in real time,
helping communities prepare and respond.
 Physics Machine Learning: AI models can forecast weather variables with high accuracy
and speed, aiding in predicting extreme events.

Enhancing Climate Science

 Future: AI will complement traditional climate simulations, providing faster and more
reliable predictions, and improving understanding of climate hazards.

AI for Fundamental Physics

Exploring the Universe

 Question: Physicists use AI to explore fundamental questions about the universe, such as
the nature of dark matter and dark energy.

Making Discoveries

 Opportunities: AI helps scientists make new discoveries in cosmology and fundamental

physics, leading to a deeper understanding of the universe.

Practical Applications

 Example: Fundamental physics theories, like General Relativity, underpin practical

technologies such as GPS, benefiting society economically.

Role of AI

 Integration: AI is integrated into every step of experimental and observational physics,

enhancing computational simulations and data analysis.

AI for Physics Discoveries

Accelerating Simulations

 Example: AI can analyze millions of theories and simulations in minutes, helping

researchers find the best explanations for observed data.

Finding Anomalies

 Example: AI can identify rare events in complex datasets that indicate new physics
discoveries, advancing our understanding of the universe.

Probabilistic Rigor

 Goal: Develop AI that can provide a range of possible answers with probabilities, crucial
for assessing uncertainties in fundamental physics.

Interdisciplinary Research

 Opportunity: AI enables researchers to translate between different fields, fostering

cross-disciplinary efforts and accelerating scientific advances.

AI for Social Sciences

Understanding Human Behavior

 Impact: AI helps social scientists analyze large datasets to better understand economic
mobility, demographic disparities, and other social issues.

Influencing Policy

 Example: Findings from AI-driven social science research can inform policy debates and
decision-making.

Data Revolution

 Event: A public meeting of PCAST in September 2023 highlighted the impact of the
social science "data revolution" enabled by AI.

AI in Social Sciences

Embracing Machine Learning

 Example: Social scientists use natural language processing and data-driven model
selection to analyze text and make predictions.

Causal Inference

 Application: Machine learning combined with causal inference helps understand the
effects of medical treatments, education programs, and public policies on different
populations.

Generative AI for Behavioral Studies

 Opportunity: AI can analyze unstructured data, like social media posts, to understand
human behavior and well-being, complementing traditional survey methods.

Improving Government Policy

 Impact: AI can provide real-time data on key variables like inflation and GDP, improving
the basis for government policy decisions.

AI in Federal Programs

 Opportunity: AI can streamline government services, making them faster, more

accessible, and personalized, though attention is needed to avoid bias in algorithms.
Future Advances

 Focus: PCAST is studying ways the federal government can support social science
advances, including promoting access to data and encouraging evidence-based policy
design.

AI in Life Sciences

Advancing Bioscience with AI

 Impact: AI is revolutionizing biology, offering new insights into healthcare, agriculture,

energy, and materials.

AI Tools for Bioscientists

 Role: AI serves as a computational microscope, helping scientists understand protein

structures, simulate living systems, and design new molecules.

Deciphering Cellular Functioning

 Example: AI predicts protein structures, functions, and interactions, aiding in

understanding cellular mechanisms and designing therapeutics.

Modeling Cellular Systems

 Approach: AI enables the construction of multimodal models for whole-cell simulations,

offering insights into health, disease, and potential therapies.

Bioscience Foundation Models

 Innovation: AI-driven models integrate diverse biological data to simulate cellular

processes, guiding research on genetic engineering, drug treatments, and disease
mechanisms.

New Powers and Responsibilities

Advancements in Life Sciences

 Impact: AI will help scientists understand biology better, but we must be careful to
prevent misuse.
 Example: AI can design new proteins, but we must ensure it's not used to create harmful
substances.
Breakthrough Applications of AI in Life Sciences

AI in Agriculture

 Impact: AI will revolutionize farming, making it more efficient and sustainable.

 Example: AI can help farmers grow crops that are more resistant to pests and diseases.

AI in Healthcare

 Revolution: AI will transform healthcare, from diagnosis to treatment.

 Example: AI can predict diseases like sepsis or infections, helping doctors provide better
care.

AI in the Discovery and Design of Novel Therapeutic Agents

AI in Molecular Discovery

 Impact: AI helps discover new molecules for medicines faster and cheaper.
 Example: AI recently found a new antibiotic by searching through millions of
compounds.

AI in Molecular Design

 Impact: AI designs custom molecules to target specific diseases, like viruses.

 Example: AI designs molecules to block viruses from infecting human cells, stopping
infections.

AI in Drug Repurposing

 Impact: AI finds new uses for existing drugs, saving time and money.
 Example: AI discovers that a drug used for one disease can also treat another disease.

References

 A Deep Learning Approach to Antibiotic Discovery: Stokes, J. et al. (2020 February).

Cell.
 Discovery of a structural class of antibiotics with explainable deep learning: Wong,
F. et al. (2023 December). Nature.
 Revolutionizing Medicinal Chemistry: Han, R. et al. (2023 September). Pharmaceuticals.

A Coming Revolution in Disease Detection and Early Intervention

AI in Disease Detection

 Impact: AI improves early detection of diseases like cancer, when treatment is most
effective.
 Example: AI can detect early signs of cancer in medical scans that doctors might miss.

AI in Ultra-Personalization of Medicine

 Impact: AI tailors treatment plans based on an individual's genetic makeup and lifestyle.
 Example: AI analyzes a person's genes to create a personalized treatment plan for their
cancer.

References

 Genome-wide cell-free DNA mutational integration enables ultra-sensitive cancer

monitoring: Zviran, A. et al. (2020 June). Nature Medicine.
 Circulating DNA fragmentomics and cancer screening: Thierry, A. (2023 January). Cell
Genomics.

Conclusion

 AI is revolutionizing how we discover, design, and use medicines, making treatments

more effective and personalized for each patient.

3.5

AI in Personalized Preventive Strategies

AI in Preventive Healthcare

 Impact: AI helps people stay healthy by suggesting personalized lifestyle changes and
therapies.
 Example: AI suggests specific exercises and diets based on a person's genes to prevent
diseases.

AI in Personalized Medicine

 Impact: AI tailors treatment plans based on an individual's genetic makeup and lifestyle.
 Example: AI analyzes a person's genes to create a personalized treatment plan for their
cancer.
AI in Disease Management

 Impact: AI helps manage complex diseases like cardiovascular disorders and

autoimmune diseases.
 Example: AI predicts how well a treatment will work based on a person's genes and
environment.

References

 Disease variant prediction with deep generative models: Frazer, J. et al. (2021
October). Nature.
 MVP predicts the pathogenicity of missense variants by deep learning: Qi, H. et al.
(2021 January). Nature Communications.
 Artificial intelligence and machine learning in precision and genomic medicine:
Quazi, S. (2022 June). Medical Oncology.

Conclusion

 AI is transforming healthcare by providing personalized preventive strategies and

treatments based on individual genetic makeup and lifestyle. This helps in preventing
diseases and maintaining overall health and vitality.

3.5

Access to AI Resources for Researchers

Importance of Shared Resources

 Impact: Sharing AI models, data sets, and computational resources benefits researchers
and promotes innovation.
 Example: Scientists can collaborate and build on each other's work more easily with
shared resources.

National AI Research Resource (NAIRR)

 Purpose: NAIRR aims to democratize access to AI resources for researchers across

different sectors.
 Example: NAIRR provides computational resources and models for researchers to use in
their AI projects.

Global AI Investments

 Global Efforts: Many countries are investing heavily in AI research and development.
  Example: The UK has launched an AI Research Resource to provide compute capacity for
AI R&D.

Access to High-Quality Data

Importance of Data in Research

 Impact: High-quality data is crucial for training machine learning models in various
fields.
 Example: AI climate models rely on diverse data sources like historical records and
satellite data.

Federal Data Sets

 Potential: The federal government possesses valuable data sets for scientific research
and policy decisions.
 Example: Access to federal administrative data has enabled research on healthcare costs
and economic mobility.

References

 NAIRR Pilot: The National Artificial Intelligence Research Resource (NAIRR) Pilot.
 Global AI Investments: Annual “The AI Index Report” issued by Stanford University.
 Protein Folding Models: Jumper, J. et al. (2021 July). Nature.
 Climate Models: Gibson, P. et al. (2021 August). Communications Earth & Environment.
 Social Sciences Research: Finkelstein, A. et al. (2016 November). The Quarterly Journal
of Economics.

Conclusion

 Access to AI resources and high-quality data is essential for researchers to collaborate,

innovate, and make scientific advancements across various fields. Governments and
organizations worldwide are investing in these resources to support scientific progress
and address global challenges.

3.5

Secure Access to Federal Data Sets

Importance of Federal Data

 Benefit: Federal data sets are valuable for scientific research and policy decisions.
  Example: Access to declassified satellite data can boost ML models for predicting
wildfires.

Pilot Programs for Secured Data Access

 Initiatives: Pilot programs are underway to allow secured access to federal data sets.
 Example: The National Secure Data Service Demonstration Project aims to provide
secure data access.

Expansion of Secure Data Access

 Recommendation: Expand existing pilot programs for secured data access for approved
critical research needs.
 Example: Further development of guidelines on federal database management can
improve data privacy protection.

AI for Data Curation and Sharing

Importance of Data Curation

 Benefit: Well-curated databases are essential for scientific research.

 Example: AI tools can partially automate the curation process for federal data sets.

Mandates for Responsible Data Sharing

 Initiatives: Federal agencies are mandating responsible sharing of data sets from funded
research.
 Example: The NIH and NSF mandate responsible sharing of research data sets.

Future Data Infrastructure

 Vision: Collaborative projects can create secure and high-quality scientific databases.
 Example: NSF FAIROS Research Coordination Networks aim to facilitate the creation of
such databases.

Collaborations Across Sectors

Industry Investment in AI

 Investment: U.S. industry invests billions of dollars in AI research.

 Example: NSF's investment in National AI Research Institutes demonstrates the
importance of AI collaborations.
References

 Federal Data Access: PCAST (2023 February). Modernizing Wildland Firefighting to

Protect Our Firefighters.
 Secure Data Access: National Center for Science and Engineering Statistics. The National
Secure Data Service Demonstration Project.
 Data Curation: Wilkinson et al. (2016 March). The FAIR Guiding Principles for scientific
data management and stewardship. Scientific Data.
 Industry Investment: NSF (2023). National AI Research Institutes.

Conclusion

 Secure access to federal data sets is crucial for scientific research and policy decisions.
Initiatives to expand access and improve data curation will enhance collaboration and
innovation across sectors.

3.5

Collaborative Research in AI

Importance of Collaboration

 Benefit: Collaboration between academia, industry, and government fosters economic

growth and innovation.
 Example: Industry collaboration can lead to the development of commercially viable AI
applications.

National AI Research Institutes

 Initiative: NSF has announced the establishment of National AI Research Institutes.

 Example: These institutes enable interdisciplinary research and collaboration among
various sectors.

Support for Collaborative Research

 Recommendation: Support research in AI that involves collaborations across academia,

industry, and federal agencies.
 Example: Collaboration can lead to the creation of high-quality scientific data sets and
next-generation technologies.

Responsible AI Use in Scientific Research

Risks of Unreliable AI Outputs

 Concern: AI systems can give unreliable outputs if not used responsibly.

 Example: Outputs lacking transparency and validation can negatively impact scientific
research.

Standards for AI Use

 Recommendation: Adopt principles of responsible, transparent, and trustworthy AI use

in scientific research.
 Example: Institutions should modernize their training to ensure ethical and responsible
AI use.

Responsible AI Use Plans

 Recommendation: Researchers should develop responsible AI use plans for their

projects.
 Example: Plans should assess and mitigate risks such as algorithmic bias and lack of
transparency.

Conclusion

 Collaboration between sectors in AI research fosters innovation and economic growth.

 Responsible AI use is crucial to ensure reliability and trustworthiness in scientific
research.

3.5

The Role of AI and Human Expertise

AI as an Assistive Tool

 Role: AI is most effective when used as an assisting tool in science and research, rather
than a complete replacement for human expertise.
 Example: AI can assist in locating patterns in data sets and performing repetitive tasks.

Complementary Nature of AI and Human Intelligence

 Strengths: AI can analyze large data sets and perform repetitive tasks, while humans
excel at drawing conclusions from smaller data sets and strategic reasoning.
 Example: Human scientists can complement AI by drawing high-level conclusions from
limited data.
Future of AI in Science

 Expectation: Even as AI advances, human scientists will continue to direct scientific

research.
 Example: AI-assisted science is expected to be superior to unassisted science or fully
automated science.

Integrating AI into Scientific Workflows

Encouraging Innovation

 Approach: Encourage innovative approaches to integrating AI assistance into scientific

workflows.
 Example: Developing AI agents as natural language interfaces for operating complex
equipment.

Funding and Incentives

 Need: Funding agencies should support experimentation with new AI-assisted

workflows.
 Example: Updating incentive structures to recognize contributions such as training AI
systems or developing new AI tools.

New Metrics for Evaluation

 Proposal: Introduce new metrics to evaluate different types of scientific contributions

facilitated by AI.
 Example: Recognizing contributions in developing AI software tools for scientific
applications.

Conclusion

 Importance of AI: AI tools, when used responsibly and supervised by humans, can
significantly advance scientific research.
 Need for Collaboration: Collaboration between AI and human experts is crucial for
optimal performance in scientific endeavors.
 Future Prospects: AI-assisted science is expected to enhance scientific research and
innovation.

3.5

Building AI Infrastructure for Science

Importance of AI Infrastructure

 Effort Needed: Building AI infrastructure for science requires significant resources and
effort.
 Example: It involves creating an ecosystem for research and development that is open
and secure.

AI as a Complement to Traditional Research

 Role of AI: AI tools complement traditional research practices by assisting but not
replacing human expertise.
 Example: AI can assist in translating scientific ideas into experiments and prototypes.

Harnessing AI in Science

Enormous Positive Contributions

 Potential of AI: AI technologies can make enormous positive contributions to science.

 Example: AI can help scientists address important challenges and understand the
complexities of the world.

Managing Weaknesses and Risks

 Vigilance Needed: It's crucial to identify and manage the weaknesses and risks of AI in
science.
 Example: Scientists must ensure that AI tools are deployed responsibly.

Conclusion

Empowering Humans with AI

 Empowerment: AI will empower humans to collaborate and address global challenges.

 Example: AI will help scientists and the general public understand the world better.

Embracing the Opportunity

 Opportunity: We should enthusiastically embrace the opportunity to address challenges

with AI-assisted science.
 Example: Thoughtful investments can turn the vision of AI-supercharged science into
reality.

Glossary
Affordances

 Definition: The uses or purposes that a thing can have.

 Example: A hammer's affordance is to drive nails.

Artificial Intelligence (AI)

 Definition: Computer systems capable of performing tasks that historically only humans
could do.
 Example: AI can recognize speech and images.

Chips

 Definition: Specialized computer processing chips.

 Example: A chip used for neural network calculations.

Cleaning (of data)

 Definition: Process of removing or repairing incomplete or inaccurate data.

 Example: Removing duplicate entries from a database.

Conventional Machine Learning

 Definition: Machine learning methods involving training on examples of cases.

 Example: Training a model to recognize cats in images.

Data Pollution

 Definition: Inclusion of data that is not thoroughly representative of the subject.

 Example: Using biased data in an AI system.

Data Sets

 Definition: Collections of related data.

 Example: A data set containing information about student grades.

Deep Neural Network Models

 Definition: Machine learning algorithms inspired by the structure of neurons in the

brain.
 Example: Training a neural network to recognize handwritten digits.
Digital Twin

 Definition: A high-resolution model of a physical system updated with real-time data.

 Example: A digital twin of a car engine.

Field Programmable Gate Arrays (FPGAs)

 Definition: Integrated circuits that can be reprogrammed for specific tasks.

 Example: Using an FPGA for real-time image processing.

Foundation Models

 Definition: Machine learning models trained on a broad range of data.

 Example: Using a foundation model for text generation.

Generative AI

 Definition: AI capable of generating new content.

 Example: Generating realistic images using AI.

Hallucination (by AI)

 Definition: Generated output that is nonsensical or unfaithful to the source.

 Example: AI generating a story that doesn't make sense.

Image Generation Models

 Definition: AI programs that generate digital images.

 Example: Using an image generation model to create artwork.

Joint Representations

 Definition: Machine learning models that learn from multiple types of data.
 Example: A model that analyzes both text and images.

Large Language Models (LLMs)

 Definition: Language models trained on large textual datasets.

 Example: Using an LLM to generate text.

Machine Learning (ML)

 Definition: Techniques that enable computers to learn from data.

  Example: Training a machine learning model to predict stock prices.

Multimodal Models

 Definition: Models capable of processing information from different modalities.

 Example: An AI model that analyzes both images and text.

Multiscale Modeling

 Definition: Using multiple models at different scales to describe a system.

 Example: Modeling weather patterns at different altitudes.

Open Source

 Definition: Models that disclose their structure but not necessarily their weights.
 Example: A software project with an open-source license.

Open Weight

 Definition: Models that disclose their final weights.

 Example: Publishing the weights of a trained neural network.

Personalized Medicine

 Definition: Medicine tailored to a person's genetic information.

 Example: Using genetic testing to determine the best treatment for a patient.

3.5