Today we’re joined by Rafael Gomez-Bombarelli, an assistant professor in the department of material science and engineering at MIT. In our conversation with Rafa, we explore his goal of ​​fusing machine learning and atomistic simulations for designing materials, a topic he spoke about at the recent SigOpt AI & HPC Summit. We discuss the two ways in which he thinks of material design, virtual screening and inverse design, as well as the unique challenges each technique presents. We also talk through the use of generative models for simulation, the type of training data necessary for these tasks, and if he’s building hand-coded simulations vs existing packages or tools. Finally, we explore the dynamic relationship between simulation and modeling and how the results of one drive the others efforts, and how hyperparameter optimization gets incorporated into the various projects.
The complete show notes for this episode can be found at twimlai.com/go/558

Designing New Energy Materials with Machine Learning with Rafael Gomez-Bombarelli - #558

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Today we're joined by Kirk Marple, CEO and founder of Graphlit, to explore the emerging paradigm of "GraphRAG," or Graph Retrieval Augmented Generation. In our conversation, Kirk digs into the GraphRAG architecture and how Graphlit uses it to offer a multi-stage workflow for ingesting, processing, retrieving, and generating content using LLMs (like GPT-4) and other Generative AI tech. He shares how the system performs entity extraction to build a knowledge graph and how graph, vector, and object storage are integrated in the system. We dive into how the system uses “prompt compilation” to improve the results it gets from Large Language Models during generation. We conclude by discussing several use cases the approach supports, as well as future agent-based applications it enables.

The complete show notes for this episode can be found at twimlai.com/go/681.

GraphRAG: Knowledge Graphs for AI Applications with Kirk Marple - #681

Today we're joined by Alex Havrilla, a PhD student at Georgia Tech, to discuss "Teaching Large Language Models to Reason with Reinforcement Learning." Alex discusses the role of creativity and exploration in problem solving and explores the opportunities presented by applying reinforcement learning algorithms to the challenge of improving reasoning in large language models. Alex also shares his research on the effect of noise on language model training, highlighting the robustness of LLM architecture. Finally, we delve into the future of RL, and the potential of combining language models with traditional methods to achieve more robust AI reasoning.

The complete show notes for this episode can be found at twimlai.com/go/680.

Teaching Large Language Models to Reason with Reinforcement Learning with Alex Havrilla - #680

Today we're joined by Peter Hase, a fifth-year PhD student at the University of North Carolina NLP lab. We discuss "scalable oversight", and the importance of developing a deeper understanding of how large neural networks make decisions. We learn how matrices are probed by interpretability researchers, and explore the two schools of thought regarding how LLMs store knowledge. Finally, we discuss the importance of deleting sensitive information from model weights, and how "easy-to-hard generalization" could increase the risk of releasing open-source foundation models.

The complete show notes for this episode can be found at twimlai.com/go/679.

Localizing and Editing Knowledge in LLMs with Peter Hase - #679

Today we're joined by Jonas Geiping, a research group leader at the ELLIS Institute, to explore his paper: "Coercing LLMs to Do and Reveal (Almost) Anything". Jonas explains how neural networks can be exploited, highlighting the risk of deploying LLM agents that interact with the real world. We discuss the role of open models in enabling security research, the challenges of optimizing over certain constraints, and the ongoing difficulties in achieving robustness in neural networks. Finally, we delve into the future of AI security, and the need for a better approach to mitigate the risks posed by optimized adversarial attacks.

The complete show notes for this episode can be found at twimlai.com/go/678.

Coercing LLMs to Do and Reveal (Almost) Anything with Jonas Geiping - #678

Today we’re joined by Mido Assran, a research scientist at Meta’s Fundamental AI Research (FAIR). In this conversation, we discuss V-JEPA, a new model being billed as “the next step in Yann LeCun's vision” for true artificial reasoning. V-JEPA, the video version of Meta’s Joint Embedding Predictive Architecture, aims to bridge the gap between human and machine intelligence by training models to learn abstract concepts in a more efficient predictive manner than generative models. V-JEPA uses a novel self-supervised training approach that allows it to learn from unlabeled video data without being distracted by pixel-level detail. Mido walks us through the process of developing the architecture and explains why it has the potential to revolutionize AI.

The complete show notes for this episode can be found at twimlai.com/go/677.

Designing New Energy Materials with Machine Learning with Rafael Gomez-Bombarelli - #558

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