Related papers: Practical guide to replica exchange transition int…
Task robust adaptation is a long-standing pursuit in sequential decision-making. Some risk-averse strategies, e.g., the conditional value-at-risk principle, are incorporated in domain randomization or meta reinforcement learning to…
This work introduces progressive spatio-temporal filtering, an efficient method to build all-frequency approximations to the light transport distribution into a scene by filtering individual samples produced by an underlying path sampler,…
Many processes in chemistry and physics take place on timescales that cannot be explored using standard molecular dynamics simulations. This renders the use of enhanced sampling mandatory. Here we introduce an enhanced sampling method that…
Importance sampling is a rare event simulation technique used in Monte Carlo simulations to bias the sampling distribution towards the rare event of interest. By assigning appropriate weights to sampled points, importance sampling allows…
RNA function is intimately related to its structural dynamics. Molecular dynamics simulations are useful for exploring biomolecular flexibility but are severely limited by the accessible timescale. Enhanced sampling methods allow this…
Few-shot relation extraction (FSRE) aims at recognizing unseen relations by learning with merely a handful of annotated instances. To generalize to new relations more effectively, this paper proposes a novel pipeline for the FSRE task based…
Simulations with an adaptive time-dependent bias, such as metadynamics, enable an efficient exploration of the conformational space of a system. However, the dynamic information of the system is altered by the bias. With infrequent…
Traditional model-free feature selection methods treat each feature independently while disregarding the interrelationships among features, which leads to relatively poor performance compared with the model-aware methods. To address this…
Filter-exchange imaging (FEXI) has already been utilized in several biomedical studies for evaluating the permeability of cell membranes. The method relies on suppressing the extracellular signal using strong diffusion weighting (the…
The use of Intelligent Reflecting Surfaces (IRSs) is considered a potential enabling technology for enhancing the spectral and energy efficiency of beyond 5G communication systems. In this paper, a joint relay and intelligent reflecting…
Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using…
Intelligent reflecting surface (IRS) that enables the control of wireless propagation environment has recently emerged as a promising cost-effective technology for boosting the spectrum and energy efficiency in future wireless communication…
We present some applications of an Interacting Particle System (IPS) methodology to the field of Molecular Dynamics. This IPS method allows several simulations of a switched random process to keep closer to equilibrium at each time, thanks…
Estimating causal effects from observational data has become increasingly critical in diverse fields including healthcare, economics, and social policy. The fundamental challenge in causal inference arises from the missing counterfactuals…
We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models…
Today's routing protocols critically rely on the assumption that the underlying hardware is trusted. Given the increasing number of attacks on network devices, and recent reports on hardware backdoors this assumption has become…
The identification of similar patient pathways is a crucial task in healthcare analytics. A flexible tool to address this issue are parametric competing risks models, where transition intensities may be specified by a variety of parametric…
Activated transitions have rates that are often exponentially small in system size. Extracting the associated activation barriers is challenging in practice, especially in the deeply metastable regimes and in the presence of disorder. Here,…
We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping…
Data-sharing pipelines involve a series of stages that apply policy-based data transformations to enable secure and effective data exchange among organizations. Although numerous tools and platforms exist to manage governance and…