PseudoCal: A Source-Free Approach to Unsupervised Uncertainty Calibration in Domain Adaptation

Unsupervised domain adaptation (UDA) has witnessed remarkable advancements in improving the accuracy of models for unlabeled target domains. However, the calibration of predictive uncertainty in the target domain, a crucial aspect of the safe deployment of UDA models, has received limited attention. The conventional in-domain calibration method, \textit{temperature scaling} (TempScal), encounters challenges due to domain distribution shifts and the absence of labeled target domain data. Recent approaches have employed importance-weighting techniques to estimate the target-optimal temperature based on re-weighted labeled source data. Nonetheless, these methods require source data and suffer from unreliable density estimates under severe domain shifts, rendering them unsuitable for source-free UDA settings. To overcome these limitations, we propose PseudoCal, a source-free calibration method that exclusively relies on unlabeled target data. Unlike previous approaches that treat UDA calibration as a \textit{covariate shift} problem, we consider it as an unsupervised calibration problem specific to the target domain. Motivated by the factorization of the negative log-likelihood (NLL) objective in TempScal, we generate a labeled pseudo-target set that captures the structure of the real target. By doing so, we transform the unsupervised calibration problem into a supervised one, enabling us to effectively address it using widely-used in-domain methods like TempScal. Finally, we thoroughly evaluate the calibration performance of PseudoCal by conducting extensive experiments on 10 UDA methods, considering both traditional UDA settings and recent source-free UDA scenarios. The experimental results consistently demonstrate the superior performance of PseudoCal, exhibiting significantly reduced calibration error compared to existing calibration methods

Diverse anisotropy of phonon transport in two-dimensional IV-VI compounds: A comparative study

New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport property is one of the fundamental physical parameters. In this paper, we systematically investigated the phonon transport properties of 2D orthorhombic group IV-VI compounds of $GeS$, $GeSe$, $SnS$ and $SnSe$ by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite the similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity ($\kappa$), etc. Especially, the $\kappa$ along the zigzag and armchair directions of monolayer $GeS$ shows the strongest anisotropy while monolayer $SnS$ and $SnSe$ shows an almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in detail. With limited size, the $\kappa$ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications in nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and aplications in emerging technologies.Comment: 14 pages, 8 figures, 2 table