arXiv research

A new model explains protein interactions via electron delocalization.

A multi-scale model predicts atomic-scale properties using both local and long-range information.

We define extensions of the $L^2$-analytic invariants of closed manifolds, called delocalized $L^2$-invariants. These delocalized invariants are constructed in terms of a nontrivial conjugacy class of the fundamental group. We show that in many cases, they are topological in nature. We show that the marked length spect…

In this paper we state and prove Morse type inequalities for Morse functions as well as for closed differential 1-forms. These inequalities involve delocalized Betti numbers. As an immediate consequence, we prove the vanishing of delocalized Betti numbers of manifolds fibering over the circle.

Study delocalized eta invariants for signature operators on proper manifolds.

The paper defines higher invariants for groups of polynomial growth and proves their convergence.

Study approximates delocalized eta invariants of covering spaces.

The unadjusted Langevin algorithm converges faster for some variables in high dimensions.

New method controls bias in unadjusted Hamiltonian Monte Carlo and underdamped Langevin.

The paper proves universality in optimization problems with i.i.d. random vectors.

Non-Abelian actions are resolved using equivariant K-theory and delocalized cohomology.

Improved sampling from complex distributions with reduced bias.

For any closed complex manifold $X$, we calculate the Poincaré and Hodge polynomials of the delocalized equivariant cohomology $H^*(X^n, S_n)$ with a grading specified by physicists. As a consequence, we recover a special case of a formula for the elliptic genera of symmetric products in Dijkgraaf-Moore-Verlinde-Verlin…

Let G be a finitely generated discrete group. In this paper we establish vanishing results for rho-invariants associated to (i) the spin-Dirac operator of a spin manifold with positive scalar curvature (ii) the signature operator of the disjoint union of a pair of homotopy equivalent oriented manifolds with fundamental…

New method detects global factors near BBP phase transition in high-dimensional data.

A refined form of the `Folk Theorem' that a smooth action by a compact Lie group can be (canonically) resolved, by iterated blow up, to have unique isotropy type was established by the authors in the context of manifolds with corners; the canonical construction induces fibrations on the boundary faces of the resolution…

We give a description of the delocalized twisted cohomology of an orbifold and the Chern character of a twisted vector bundle in terms of supersymmetric Euclidean field theories. This includes the construction of a twist functor for $1|1$-dimensional EFTs from the data of a gerbe with connection.

Study on electronic banking satisfaction in Nigeria.

Defines rho numbers for metrics with positive scalar curvature.

Framework learns inter-electronic potential for molecular dynamics.

Method learns molecular Hamiltonian for accurate electron dynamics predictions.

DenSNet learns electron densities for molecular dynamics, enabling accurate spectroscopic predictions.

Deep QMC method accurately computes electronic excited states.

Let G be a discrete group, and let M be a closed spin manifold of dimension m>3 with pi_1(M)=G. We assume that M admits a Riemannian metric of positive scalar curvature. We discuss how to use the L2-rho invariant and the delocalized eta invariant associated to the Dirac operator on M in order to get information about t…

Agent-based model simulates speculative electronic market with price bubbles.

We apply generative adversarial network (GAN) technology to build an event generator that simulates particle production in electron-proton scattering that is free of theoretical assumptions about underlying particle dynamics. The difficulty of efficiently training a GAN event simulator lies in learning the complicated …

Machine learning predicts electronic density of states for condensed matter.

Prototype for adaptive electron microscopy scans reduces dose and time.

[New and updated results were published in Nature Chemistry, doi:10.1038/s41557-020-0544-y.] The electronic Schrödinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the hydrogen atom. The numerically exact full configuration-interaction method is exponent…

Equivariant graph neural networks predict electron density for molecules, liquids, and solids.

This paper presents the results of an automated volatile organic compound (VOC) classification process implemented by embedding a machine learning algorithm into an Arduino Uno board. An electronic nose prototype is constructed to detect VOCs from three different fruits. The electronic nose is constructed using an arra…

A new method predicts electron density accurately from atom-centered models.

Machine learning aids excited-state molecular dynamics studies.

We consider the Dirac equation in flat Minkowski 3-space and rewrite it as the Maxwell equation in Minkowski 4-space with torsion. The torsion tensor is defined as the dual of the electromagnetic vector potential. Our model clearly distinguishes the electron and the positron without resorting to "negative frequencies":…

The paper presents a systematic review of state-of-the-art approaches to identify patient cohorts using electronic health records. It gives a comprehensive overview of the most commonly de-tected phenotypes and its underlying data sets. Special attention is given to preprocessing of in-put data and the different modeli…

Chemical reactions can be described as the stepwise redistribution of electrons in molecules. As such, reactions are often depicted using `arrow-pushing' diagrams which show this movement as a sequence of arrows. We propose an electron path prediction model (ELECTRO) to learn these sequences directly from raw reaction …

Optimal market making strategy for electronic markets with persistent order flows.

Develops methods to learn correlation potentials for time-dependent Kohn-Sham systems.

Data-driven approach discovers molecular photoswitches with separated electronic absorption bands.

Let $Γ$ be a discrete group. Assuming rational injectivity of the Baum-Connes assembly map, we provide new lower bounds on the rank of the positive scalar curvature bordism group and the relative group in Stolz' positive scalar curvature sequence for $\mathrm{B} Γ$. The lower bounds are formulated in terms of the part …

Symmetry-electronic fingerprints reveal competing magnetic phases in two-dimensional materials.

AHEAD improves financial market efficiency through ad-hoc auctions.

The smooth action of a compact Lie group on a compact manifold can be resolved to an iterated space, as made explicit by Pierre Albin and the second author. On the resolution the lifted action has fixed isotropy type, in an iterated sense, with connecting fibrations and this structure descends to a resolution of the qu…

Accurate real-time monitoring systems of influenza outbreaks help public health officials make informed decisions that may help save lives. We show that information extracted from cloud-based electronic health records databases, in combination with machine learning techniques and historical epidemiological information,…

We show that the emergence of systemic risk in complex systems can be understood from the evolution of functional networks representing interactions inferred from fluctuation correlations between macroscopic observables. Specifically, we analyze the long-term collective dynamics of the New York Stock Exchange between 1…

Let $Γ$ be a f.g. discrete group and let $\tilde M$ be a Galois $Γ$-covering of a smooth closed manifold $M$. Let $S_*^Γ(\tilde{M})$ be the analytic structure group, appearing in the Higson-Roe analytic surgery sequence $\to S_*^Γ(\tilde M)\to K_*(M)\to K_*(C_r^*Γ)\to$. We prove that for an arbitrary discrete group $Γ$…

XLabel tool reduces medical experts' workload by 40% and explains its decisions.

Novikov's problem of semiclassical orbits of quasi-electrons in a normal metal leads to a correspondance between 3-ply periodic functions in R and fractals in R P^2. These fractals are the complement of infinitely many open sets labeled by integer 2-cycles of T^3. Here we present a characterization of the fractal point…