Category: Books

Scaling deep learning for materials discovery

Amil Merchant, Simon Batzner, Samuel S. Schoenholz, Muratahan Aykol, Gowoon Cheon & Ekin Dogus Cubuk 
Nature (2023)

Novel functional materials enable fundamental breakthroughs across technological applications from clean energy to information processing1,2,3,4,5,6,7,8,9,10,11. From microchips to batteries and photovoltaics, discovery of inorganic crystals has been bottlenecked by expensive trial-and-error approaches. Concurrently, deep-learning models for language, vision and biology have showcased emergent predictive capabilities with increasing data and computation12,13,14. Here we show that graph networks trained at scale can reach unprecedented levels of generalization, improving the efficiency of materials discovery by an order of magnitude. Building on 48,000 stable crystals identified in continuing studies15,16,17, improved efficiency enables the discovery of 2.2 million structures below the current convex hull, many of which escaped previous human chemical intuition. Our work represents an order-of-magnitude expansion in stable materials known to humanity. Stable discoveries that are on the final convex hull will be made available to screen for technological applications, as we demonstrate for layered materials and solid-electrolyte candidates. Of the stable structures, 736 have already been independently experimentally realized. The scale and diversity of hundreds of millions of first-principles calculations also unlock modelling capabilities for downstream applications, leading in particular to highly accurate and robust learned interatomic potentials that can be used in condensed-phase molecular-dynamics simulations and high-fidelity zero-shot prediction of ionic conductivity.

Read the full article at: www.nature.com

Evolution “On Purpose” Teleonomy in Living Systems. Edited by Peter A. Corning, Stuart A. Kauffman, Denis Noble, James A. Shapiro, Richard I. Vane-Wright and Addy Pross

A unique exploration of teleonomy—also known as “evolved purposiveness”—as a major influence in evolution by a broad range of specialists in biology and the philosophy of science.

The evolved purposiveness of living systems, termed “teleonomy” by chronobiologist Colin Pittendrigh, has been both a major outcome and causal factor in the history of life on Earth. Many theorists have appreciated this over the years, going back to Lamarck and even Darwin in the nineteenth century. In the mid-twentieth century, however, the complex, dynamic process of evolution was simplified into the one-way, bottom-up, single gene-centered paradigm widely known as the modern synthesis. In Evolution “On Purpose,” edited by Peter A. Corning, Stuart A. Kauffman, Denis Noble, James A. Shapiro, Richard I. Vane-Wright, and Addy Pross, some twenty theorists attempt to modify this reductive approach by exploring in depth the different ways in which living systems have themselves shaped the course of evolution.

Evolution “On Purpose” puts forward a more inclusive theoretical synthesis that goes far beyond the underlying principles and assumptions of the modern synthesis to accommodate work since the 1950s in molecular genetics, developmental biology, epigenetic inheritance, genomics, multilevel selection, niche construction, physiology, behavior, biosemiotics, chemical reaction theory, and other fields. In the view of the authors, active biological processes are responsible for the direction and the rate of evolution. Essays in this collection grapple with topics from the two-way “read-write” genome to cognition and decision-making in plants to the niche-construction activities of many organisms to the self-making evolution of humankind. As this collection compellingly shows, and as bacterial geneticist James Shapiro emphasizes, “The capacity of living organisms to alter their own heredity is undeniable.”

More at: mitpress.mit.edu

Elements and Relations: Aspects of a Scientific Metaphysics

This textbook is built around the central proposition that systems theory is an attempt to construct an “exact and scientific metaphysics” (an ESM).

Read the full article at: link.springer.com

The Experience Machine by Andy Clark

For as long as we’ve studied human cognition, we’ve believed that our senses give us direct access to the world. What we see is what’s really there—or so the thinking goes. But new discoveries in neuroscience and psychology have turned this assumption on its head. What if rather than perceiving reality passively, your mind actively predicts it?

Widely acclaimed philosopher and cognitive scientist Andy Clark unpacks this provocative new theory that the brain is a powerful, dynamic prediction engine, mediating our experience of both body and world. From the most mundane experiences to the most sublime, reality as we know it is the complex synthesis of sensory information and expectation. Exploring its fascinating mechanics and remarkable implications for our lives, mental health, and society, Clark nimbly illustrates how the predictive brain sculpts all human experience. Chronic pain and mental illness are shown to involve subtle malfunctions of our unconscious predictions, pointing the way towards more effective, targeted treatments. Under renewed scrutiny, the very boundary between ourselves and the outside world dissolves, showing that we are as entangled with our environments as we are with our onboard memories, thoughts, and feelings. And perception itself is revealed to be something of a controlled hallucination.

Unveiling the extraordinary explanatory power of the predictive brain, The Experience Machine is a mesmerizing window onto one of the most significant developments in our understanding of the mind.

More at: www.penguinrandomhouse.com