A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
NucleusDiff models atomic nuclei interactions to prevent separation violations in drug design.
We consider few-body bound state systems and provide precise definitions of Borromean and Brunnian systems. The initial concepts are more than a hundred years old and originated in mathematical knot-theory as purely geometric considerations. About thirty years ago they were generalized and applied to the binding of sys…
In the area of traditional physics the atomic nucleus belongs to the most complex systems. It involves essentially all elements that characterize complexity including the most distinctive one whose essence is a permanent coexistence of coherent patterns and of randomness. From a more interdisciplinary perspective, thes…
A deep learning framework segments deep cerebellar nuclei from 7T MRI, improving accuracy and consistency.
Deep object detection improves mitotic nucleus detection in breast cancer biopsies.
Separating overlapped nuclei is a major challenge in histopathology image analysis. Recently published approaches have achieved promising overall performance on public datasets; however, their performance in segmenting overlapped nuclei are limited. To address the issue, we propose the bending loss regularized network …
A cascaded multi-planar scheme with a modified residual U-Net architecture was used to segment thalamic nuclei on conventional and white-matter-nulled (WMn) magnetization prepared rapid gradient echo (MPRAGE) data. A single network was optimized to work with images from healthy controls and patients with multiple scler…
This paper proposes synthetic augmentation for nuclei image segmentation in medical pathology.
Nuclear magnetic resonance (NMR) spectroscopy exploits the magnetic properties of atomic nuclei to discover the structure, reaction state and chemical environment of molecules. We propose a probabilistic generative model and inference procedures for NMR spectroscopy. Specifically, we use a weighted sum of trigonometric…
Detection of cell nuclei in microscopic images is a challenging research topic, because of limitations in cellular image quality and diversity of nuclear morphology, i.e. varying nuclei shapes, sizes, and overlaps between multiple cell nuclei. This has been a topic of enduring interest with promising recent success sho…
The mass, or binding energy, is the basis property of the atomic nucleus. It determines its stability, and reaction and decay rates. Quantifying the nuclear binding is important for understanding the origin of elements in the universe. The astrophysical processes responsible for the nucleosynthesis in stars often take …
Based on the work of Durhuus-J{ó}nsson and Benedetti-Ziegler, we revisit the question of the number of triangulations of the 3-ball. We introduce a notion of nucleus (a triangulation of the 3-ball without internal nodes, and with each internal face having at most 1 external edge). We show that every triangulation can b…
Cell nuclei detection is a challenging research topic because of limitations in cellular image quality and diversity of nuclear morphology, i.e. varying nuclei shapes, sizes, and overlaps between multiple cell nuclei. This has been a topic of enduring interest with promising recent success shown by deep learning method…
Accurate and robust cell nuclei classification is the cornerstone for a wider range of tasks in digital and Computational Pathology. However, most machine learning systems require extensive labeling from expert pathologists for each individual problem at hand, with no or limited abilities for knowledge transfer between…
Best performing nuclear segmentation methods are based on deep learning algorithms that require a large amount of annotated data. However, collecting annotations for nuclear segmentation is a very labor-intensive and time-consuming task. Thereby, providing a tool that can facilitate and speed up this procedure is very …
Efficient and precise classification of histological cell nuclei is of utmost importance due to its potential applications in the field of medical image analysis. It would facilitate the medical practitioners to better understand and explore various factors for cancer treatment. The classification of histological cell …
Fink AGN classifier achieves high accuracy in classifying active galactic nuclei.
Nuclear segmentation in histology images is a challenging task due to significant variations in the shape and appearance of nuclei. One of the main hurdles in nuclear instance segmentation is overlapping nuclei where a smart algorithm is needed to separate each nucleus. In this paper, we introduce a proposal-free deep …
Mogami introduced in 1995 a large class of triangulated 3-dimensional pseudomanifolds, henceforth called "Mogami pseudomanifolds". He proved an exponential bound for the size of this class in terms of the number of tetrahedra. The question of whether all 3-balls are Mogami has remained open since, a positive answer wou…
In this note we show that there are 4-manifolds not containing Gompf nucleus ; in this way we answer Problem 4.98 of Kirby's problem list in the negative.
We introduce a new generalization of Gompf nuclei and give applications. We construct infinitely many exotic smooth structures for a large class of compact 4-manifolds with boundary, regarding topological invariants. We prove that a large class of closed 3-manifolds (including disjoint unions of Stein fillable 3-manifo…
Unified theory linking atom-centered and message-passing models for molecular properties.
The atomic swap protocol allows for the exchange of cryptocurrencies on different blockchains without the need to trust a third-party. However, market participants who desire to hold derivative assets such as options or futures would also benefit from trustless exchange. In this paper I propose the atomic swaption, whi…
The above named paper has been withdrawn. A colleague has observed a gap in the proof of isotopy invariance, which can be repaired by reducing the coefficients (which lie in (1/6)Z) of the antisymmetric kanji with chords incident with more than one component modulo 8Z. An analogous issue arises in considering the effec…
An algorithm reduces breast cancer detection data complexity using effect sizes.
New features for quantum calculations learn N-center Hamiltonian matrix elements.
Study compares atom representations in graph neural networks for molecular properties.
Neural network learns atomic coordinates from Patterson maps in a simplified case.
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrödinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models a…
Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the tradeoff between accuracy and computational cost. Here, we assess multiple ML approaches for predicting the atomization energy of organic molecules. Our resulting models learn the difference between low…
We prove that the introduction of the class of geometrically atomic bundle maps by Harvey and Lawson in their theory of singular connections is not necessary because an arbitrary map satisfies the conditions of geometric atomicity.
We introduce a novel class of localized atomic environment representations, based upon the Coulomb matrix. By combining these functions with the Gaussian approximation potential approach, we present LC-GAP, a new system for generating atomic potentials through machine learning (ML). Tests on the QM7, QM7b and GDB9 biom…
PAM models generate dependent random distributions across groups with overlapping clusters.
Non-atomic arbitrage exploits price differences on Ethereum and other blockchains, accounting for over 10% of Ethereum's block value.
One endeavour of modern physical chemistry is to use bottom-up approaches to design materials and drugs with desired properties. Here we introduce an atomistic structure learning algorithm (ASLA) that utilizes a convolutional neural network to build 2D compounds and layered structures atom by atom. The algorithm takes …
Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient processing and interpretation of large volumes of data remain challenging, especi…
Distributed model training suffers from communication overheads due to frequent gradient updates transmitted between compute nodes. To mitigate these overheads, several studies propose the use of sparsified stochastic gradients. We argue that these are facets of a general sparsification method that can operate on any p…
Unified approach to invariants in equivariant geometry.
Committee neural network models improve accuracy and enable active learning for interatomic potentials.
Highly accurate potential energy surfaces are of key interest for the detailed understanding and predictive modeling of chemical systems. In recent years, several new types of force fields, which are based on machine learning algorithms and fitted to ab initio reference calculations, have been introduced to meet this r…
Bio-oil molecule assessment is essential for the sustainable development of chemicals and transportation fuels. These oxygenated molecules have adequate carbon, hydrogen, and oxygen atoms that can be used for developing new value-added molecules (chemicals or transportation fuels). One motivation for our study stems fr…
This paper introduces a new nonlinear dictionary learning method for histograms in the probability simplex. The method leverages optimal transport theory, in the sense that our aim is to reconstruct histograms using so-called displacement interpolations (a.k.a. Wasserstein barycenters) between dictionary atoms; such at…
Develops conformal Bayes for two-sided censored Gaussian regression under label shift.
Machine learning is often used in virtual screening to find compounds that are pharmacologically active on a target protein. The weave module is a type of graph convolutional deep neural network that uses not only features focusing on atoms alone (atom features) but also features focusing on atom pairs (pair features);…
In many signal processing applications, the aim is to reconstruct a signal that has a simple representation with respect to a certain basis or frame. Fundamental elements of the basis known as "atoms" allow us to define "atomic norms" that can be used to formulate convex regularizations for the reconstruction problem. …
Geometric GNNs model 3D atomic systems with rotations and translations.
Proposes an algorithm for infinite-dimensional sparse learning in system identification.
Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at speeds suitable for molecular dynam- ics simulation. Best performance is achieved when the known physical constraints are encoded in the mac…