Related papers: LevelScheme: A level scheme drawing and scientific…
A GraphMaps is a system that visualizes a graph using zoom levels, which is similar to a geographic map visualization. GraphMaps reveals the structural properties of the graph and enables users to explore the graph in a natural way by using…
Scientific figure interpretation is a crucial capability for AI-driven scientific assistants built on advanced Large Vision Language Models. However, current datasets and benchmarks primarily focus on simple charts or other relatively…
We introduce MetaChem, a language for representing and implementing Artificial Chemistries. We motivate the need for modularisation and standardisation in representation of artificial chemistries. We describe a mathematical formalism for…
Presenting systems of differential equations in the form of diagrams has become common in certain parts of physics, especially electromagnetism and computational physics. In this work, we aim to put such use of diagrams on a firm…
Categorical data, wherein a numerical quantity is assigned to each category (nominal variable), are ubiquitous in data science. A palette diagram is a visualization tool for a large number of categorical datasets, each comprising several…
Mathematics has many useful properties for developing of complex software systems. One is that it can exactly describe a physical situation of the object or outcome of an action. Mathematics support abstraction and this is an excellent…
Estimation of the level set of a function (i.e., regions where the function exceeds some value) is an important problem with applications in digital elevation mapping, medical imaging, astronomy, etc. In many applications, the function of…
Mathematics is the language of science. Fluent and productive use of mathematics requires one to understand the meaning embodied in mathematical symbols, operators, syntax, etc., which can be a difficult task. For instance, in algebraic…
Training models to high-end performance requires availability of large labeled datasets, which are expensive to get. The goal of our work is to automatically synthesize labeled datasets that are relevant for a downstream task. We propose…
In the SysLab project we develop a software engineering method based on a mathematical foundation. The SysLab system model serves as an abstract mathematical model for information systems and their components. It is used to formalize the…
We propose a multi-level method to increase the accuracy of machine learning algorithms for approximating observables in scientific computing, particularly those that arise in systems modeled by differential equations. The algorithm relies…
MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods…
We present a novel way to manipulate ultra-cold atoms where four atomic levels are trapped by appropriately tuned optical lattices. When employed to perform quantum computation via global control, this unique structure dramatically reduces…
Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…
An introduction to applied mathematics written for students in engineering and science. Focus is on a rigorous presentation that also builds understanding by discussion, analogy, and examples. Discussion of concepts involved in modeling…
Scientific diagrams are essential for communicating complex methodologies in academic papers. A natural way for researchers to specify such diagrams is through rough sketches, where text labels, connectors, and spatial arrangements express…
A graph is a mathematical object consisting of a set of vertices and a set of edges connecting vertices. Graphs can be drawn on paper in various ways, but until recently all published methods of drawing graphs have had undesirable…
OpenSesame is a program for generating tabular equations of state (EOS), with capabilities for multiphase EOS construction. In this tutorial, we provide an overview of how to run OpenSesame to construct a multiphase EOS. We discuss some…
Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…
In this review, we present some advanced algorithms and programs used in our scientific school with short description of types of astrophysical systems, which we study. However, we discuss mainly mathematical methods, which may be applied…