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Joseph Turnbull

Publications and source records attributed to Joseph Turnbull.

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There Will Be a Scientific Theory of Deep Learning

In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.

stat.ML

Predicting kernel regression learning curves from only raw data statistics

We study kernel regression with common rotation-invariant kernels on real datasets including CIFAR-5m, SVHN, and ImageNet. We give a theoretical framework that predicts learning curves (test risk vs. sample size) from only two measurements: the empirical data covariance matrix and an empirical polynomial decomposition of the target function $f_*$. The key new idea is an analytical approximation of a kernel's eigenvalues and eigenfunctions with respect to an anisotropic data distribution. The eigenfunctions resemble Hermite polynomials of the data, so we call this approximation the Hermite eigenstructure ansatz (HEA). We prove the HEA for Gaussian data, but we find that real image data is often "Gaussian enough" for the HEA to hold well in practice, enabling us to predict learning curves by applying prior results relating kernel eigenstructure to test risk. Extending beyond kernel regression, we empirically find that MLPs in the feature-learning regime learn Hermite polynomials in the order predicted by the HEA. Our HEA framework is a proof of concept that an end-to-end theory of learning which maps dataset structure all the way to model performance is possible for nontrivial learning algorithms on real datasets.

cs.LG

Direct measure of DNA bending by quantum magnetic imaging of a nano-mechanical torque-balance

DNA flexibility is a key determinant of biological function, from nucleosome positioning to transcriptional regulation, motivating a direct measurement of the bend-torque response of individual DNA molecules. In this work, DNA bending is detected using a nano-mechanical torque balance formed by tethering a ferromagnetic nanoparticle probe by an individual DNA molecule to a diamond magnetic field imager. The torque exerted by the DNA in response to bending caused by an applied magnetic torque is measured using wide-field imaging of quantum defects near the surface of the diamond. Qualitative measurements of differences in DNA bio-mechanical binding configuration are demonstrated, and as a proof-of-principle, a quantitative measurement of the bend response is made for individual DNA molecules. This quantum-enabled measurement approach could be applied to characterize the bend response of biophysically relevant short DNA molecules as well as the sequence dependence of DNA bending energy.

physics.bio-ph

Disorder and the elusive superfluid phase of para-hydrogen

The possibility that disorder may stabilize a superfluid phase of para-hydrogen in two dimensions is investigated theoretically by means of Quantum Monte Carlo simulations. We model disorder using a random distribution of scatterers, and study the thermodynamic behavior of the system as a function of the scatterer density. Disorder gives rise to equilibrium glassy phases with no superfluid properties. Indeed, the propensity for quantum exchanges of hydrogen molecules is reduced even with respect to what is observed if the scatterers are arranged as a regular crystal, a physical setting that also yields no superfluidity.

cond-mat.other

Molecular hydrogen isotopes adsorbed on krypton-preplated graphite: Quantum Monte Carlo simulations

Adsorption of ortho-deuterium and para-hydrogen films on a graphite substrate, pre-plated with a single atomic layer of krypton, is studied theoretically by means of quantum Monte Carlo simulations at low temperature. Our model explicitly includes substrate corrugation. Energetic and structural properties of these adsorbed films are computed for a range of hydrogen coverages. Thermodynamically stable adsorbed films are solid, with no clear evidence of any liquid-like phase. Quantum exchanges of ortho-deuterium and para-hydrogen are essentially absent in this system, down to zero temperature; consequently, this system displays no superfluidity in this limit. Our simulations provide evidence of a stable domain wall fluid at low temperature, consistently with recent experimental observations.

cond-mat.stat-mech

Adsorption of para-Hydrogen on Krypton pre-plated graphite

Adsorption of para-Hydrogen on the surface of graphite pre-plated with a single layer of atomic krypton is studied thoretically by means of Path Integral Ground State Monte Carlo simulations. We compute energetics and density profiles of para-hydrogen, and determine the structure of the adsorbed film for various coverages. Results show that there are two thermodynamically stable monolayer phases of para-hydrogen, both solid. One is commensurate with the krypton layer, the other is incommensurate. No evidence is seen of a thermodynamically stable liquid phase, at zero temperature. These results are qualitatively similar to what is seen for for para-hydrogen on bare graphite. Quantum exchanges of hydrogen molecules are suppressed in this system.

cond-mat.stat-mech