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We propose a four-component molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse-graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are…
Images captured in challenging environments often experience various forms of degradation, including noise, color cast, blur, and light scattering. These effects significantly reduce image quality, hindering their applicability in…
Diffusion models have established new state of the art in a multitude of computer vision tasks, including image restoration. Diffusion-based inverse problem solvers generate reconstructions of exceptional visual quality from heavily…
Nanobundle network transistors (NBTs) have emerged as a viable, higher performance alternative to poly-silicon and organic transistors with possible applications in macroelectronic displays, chemical/biological sensors, and photovoltaics. A…
Generative diffusion models have achieved spectacular performance in many areas of machine learning and generative modeling. While the fundamental ideas behind these models come from non-equilibrium physics, variational inference and…
We introduce a methodology for density-based topology optimization of non-Fourier thermal transport in nanostructures, based upon adjoint-based sensitivity analysis of the phonon Boltzmann transport equation (BTE) and a novel material…
Diffusion model deployment has been suffering from high energy consumption and inference latency despite its superior performance in visual generation tasks. Dynamic voltage and frequency scaling (DVFS) offers a promising solution to…
Heat management is crucial in the design of nanoscale devices as the operating temperature determines their efficiency and lifetime. Past experimental and theoretical works exploring nanoscale heat transport in semiconductors addressed…
Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…
Recently, Rissanen et al., (2022) have presented a new type of diffusion process for generative modeling based on heat dissipation, or blurring, as an alternative to isotropic Gaussian diffusion. Here, we show that blurring can equivalently…
While foundation models demonstrate impressive performance across various tasks, they remain vulnerable to adversarial inputs. Current research explores various approaches to enhance model robustness, with Diffusion Denoised Smoothing…
Recent advances in diffusion models have demonstrated their strong capabilities in generating high-fidelity samples from complex distributions through an iterative refinement process. Despite the empirical success of diffusion models in…
In this paper, we consider the diffusive molecular communication channel between a transmitter nano-machine and a receiver nano-machine in a fluid environment. The information molecules released by the transmitter nano-machine into the…
Hybrid superconductor/semiconductor devices play a crucial role in advancing quantum science and technology by merging the properties of superconductors and semiconductors. To operate these devices at high temperature, Niobium could…
Diffusion-based models decompose sampling into many small Gaussian denoising steps -- an assumption that breaks down when generation is compressed to a few coarse transitions. Existing few-step methods address this through distillation,…
Diffusion models have gained tremendous success in text-to-image generation, yet still lag behind with visual understanding tasks, an area dominated by autoregressive vision-language models. We propose a large-scale and fully end-to-end…
Multi-scale simulations of nanotube-based nanoelectromechanical systems (NEMS) controlled by a nonuniform electric field are performed by an example of a gigahertz oscillator. Using molecular dynamics simulations, we obtain the friction…
Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems -- such as molecules and materials -- the generative processes are usually highly specific to the target…
We introduce a new class of Green-Naghdi type models for the propagation of internal waves between two (1+1)-dimensional layers of homogeneous, immiscible, ideal, incompressible, irrotational fluids, vertically delimited by a flat bottom…
Energy dissipation is a fundamental process governing the dynamics of physical, chemical, and biological systems. It is also one of the main characteristics distinguishing quantum and classical phenomena. In condensed matter physics, in…