Related papers: Thermodynamically Favorable Computation via Tile S…
Most noninvasive imaging techniques utilize electromagnetic or acoustic waves originating from multiple locations and directions to identify hidden geometrical structures. Surprisingly, it is also possible to image hidden voids and…
The key limiting factor in graphical model inference and learning is the complexity of the partition function. We thus ask the question: what are general conditions under which the partition function is tractable? The answer leads to a new…
We prove that the abstract Tile Assembly Model (aTAM) of nanoscale self-assembly is intrinsically universal. This means that there is a single tile assembly system U that, with proper initialization, simulates any tile assembly system T.…
Self-assembling novel ordered structures with nanoparticles has recently received much attention. Here we use computer simulations to study a two-dimensional model system characterized by a simple isotropic interaction that could be…
A polymer-chain network is a collection of interconnected polymer-chains, made themselves of the repetition of a single pattern called a monomer. Our first main result establishes that, for a class of models for polymer-chain networks, the…
We introduce a generative modeling framework for thermodynamic computing, in which structured data is synthesized from noise by the natural time evolution of a physical system governed by Langevin dynamics. While conventional diffusion…
Structural network embedding is a crucial step in enabling effective downstream tasks for complex systems that aims to project a network into a lower-dimensional space while preserving similarities among nodes. We introduce a simple and…
Topological orders can be used as media for topological quantum computing --- a promising quantum computation model due to its invulnerability against local errors. Conversely, a quantum simulator, often regarded as a quantum computing…
The tube model is a central concept in polymer physics, and allows to reduce the complex many-filament problem of an entangled polymer solution to a single filament description. We investigate the probability distribution function of…
Tensor Networks have emerged as a prominent alternative to neural networks for addressing Machine Learning challenges in foundational sciences, paving the way for their applications to real-life problems. This paper introduces tn4ml, a…
We propose a new and effective means for designing stable and fast-folding polypeptide sequences using a cumulant expansion of the molecular partition function. This method is unique in that $T_{Z}$, the ``cumulant design temperature''…
One of the critical components in Industrial Gas Turbines (IGT) is the turbine blade. Design of turbine blades needs to consider multiple aspects like aerodynamic efficiency, durability, safety and manufacturing, which make the design…
Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…
Merge trees are a valuable tool in the scientific visualization of scalar fields; however, current methods for merge tree comparisons are computationally expensive, primarily due to the exhaustive matching between tree nodes. To address…
We introduce a new type of generalized Turing machines (GTMs), which are intended as a tool for the mathematician who studies computability in Analysis. In a single tape cell a GTM can store a symbol, a real number, a continuous real…
Colloidal particles with mobile binding molecules constitute a powerful platform for probing the physics of self-assembly. Binding molecules are free to diffuse and rearrange on the surface, giving rise to spontaneous control over the…
Multivariate time series forecasting, which analyzes historical time series to predict future trends, can effectively help decision-making. Complex relations among variables in MTS, including static, dynamic, predictable, and latent…
Vitrimer is an emerging class of sustainable polymers with self-healing capabilities enabled by dynamic covalent adaptive networks. However, their limited molecular diversity constrains their property space and potential applications.…
A theoretical-computational framework is proposed for predicting the failure behavior of two anisotropic brittle materials, namely, single crystal magnesium and boron carbide. Constitutive equations are derived, in both small and large…
We consider the tile self-assembly model and how tile complexity can be eliminated by permitting the temperature of the self-assembly system to be adjusted throughout the assembly process. To do this, we propose novel techniques for…