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

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

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

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Why Models Are AI’s Next Training Dataset with Damian Borth - #772

Why Models Are AI’s Next Training Dataset with Damian Borth - #772

For more than a decade, AI has advanced by training ever-larger models on ever-larger datasets. But as high-quality training data becomes harder to find and pretraining grows increasingly expensive, r...

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How AI Learns to Smell with Alex Wiltschko - #771

How AI Learns to Smell with Alex Wiltschko - #771

In this episode, Alex Wiltschko, founder and CEO of Osmo, joins the show to discuss his goal of giving computers a sense of smell and what it takes to build olfactory intelligence. We explore the sci...

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Why AI Agents Break the GenAI Security Model with Devvret Rishi - #770

In this episode, Sam talks with Dev Rishi, GM of AI at Rubrik, about what happens when agents move beyond answering questions and start taking action across tools, systems, and business processes. We...

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Is RAG Dead? Lessons from Building AI for Tax Law with Alex Bowcut - #769

Is RAG Dead? Lessons from Building AI for Tax Law with Alex Bowcut - #769

As context windows grow into the millions of tokens, many AI practitioners are questioning whether retrieval-augmented generation (RAG) is still necessary. If modern models can ingest entire libraries...

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Relational Foundation Models for Enterprise Data with Jure Leskovec - #768

Relational Foundation Models for Enterprise Data with Jure Leskovec - #768

In this episode, Jure Leskovec, co-founder and chief scientist at Kumo and professor of computer science at Stanford, joins us to explore two fronts of his work: AI for science and relational deep lea...

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How to Find the Agent Failures Your Evals Miss with Scott Clark - #767

How to Find the Agent Failures Your Evals Miss with Scott Clark - #767

In this episode, Scott Clark, co-founder and CEO of Distributional, joins us to explore how teams can reliably operate and improve complex LLM systems and agents in production. Scott introduces a Masl...

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How to Engineer AI Inference Systems with Philip Kiely - #766

How to Engineer AI Inference Systems with Philip Kiely - #766

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How Capital One Delivers Multi-Agent Systems with Rashmi Shetty - #765

How Capital One Delivers Multi-Agent Systems with Rashmi Shetty - #765

In this episode, Rashmi Shetty, senior director of enterprise generative AI platform at Capital One, joins us to explore how the company is designing, deploying, and scaling multi-agent systems in a h...

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