As semiconductor devices become miniaturized and their structures become more complex, there is a growing need for large-scale atomic-level simulations as a less costly alternative to the trial-and-error approach during development. Although machine learning force fields (MLFFs) can meet the accuracy and scale requirements for such simulations, there are no open-access benchmarks for semiconductor materials. Hence, this study presents a comprehensive benchmark suite that consists of two semiconductor material datasets and ten MLFF models with six evaluation metrics. We select two important semiconductor thin-film materials silicon nitride and hafnium oxide, and generate their datasets using computationally expensive density functional theory simulations under various scenarios at a cost of 2.6k GPU days. Additionally, we provide a variety of architectures as baselines: descriptor-based fully connected neural networks and graph neural networks with rotational invariant or equivariant features. We assess not only the accuracy of energy and force predictions but also five additional simulation indicators to determine the practical applicability of MLFF models in molecular dynamics simulations.

As generative large language models (LLMs) such as ChatGPT gain widespread adoption in various domains, their potential to propagate and amplify social biases, particularly in high-stakes areas such as the labor market, has become a pressing concern. AI algorithms are not only widely used in the selection of job applicants, individual job seekers may also make use of generative LLMs to help develop their job application materials. Against this backdrop, this research builds on a novel experimental design to examine social biases within ChatGPT-generated job applications in response to real job advertisements. By simulating the process of job application creation, we examine the language patterns and biases that emerge when the model is prompted with diverse job postings. Notably, we present a novel bias evaluation framework based on Masked Language Models to quantitatively assess social bias based on validated inventories of social cues/words, enabling a systematic analysis of the language used. Our findings show that the increasing adoption of generative AI, not only by employers but also increasingly by individual job seekers, can reinforce and exacerbate gender and social inequalities in the labor market through the use of biased and gendered language.

AI is making significant strides in every aspect of our lives, including healthcare. Yet there's a catch: resource limitations and skepticism continue to be a hurdle, especially when it comes to something as personal as our health. As the aging population grows and the World Health Organization predicts a shortage of 11.1 million healthcare workers by 2030, a higher quality -- and a higher quantity -- of healthcare is becoming more critical every day. Can AI help to bridge the future healthcare gap? Will patients and healthcare systems trust it in time to make a difference?

The heterogeneity issue in federated learning (FL) has attracted increasing attention, which is attempted to be addressed by most existing methods. Currently, due to systems and objectives heterogeneity, enabling clients to hold models of different architectures and tasks of different demands has become an important direction in FL. Most existing FL methods are based on the homogeneity assumption, namely, different clients have the same architectural models with the same tasks, which are unable to handle complex and multivariate data and tasks. To flexibly address these heterogeneity limitations, we propose a novel federated multi-task learning framework with the help of tensor trace norm, FedSAK. Specifically, it treats each client as a task and splits the local model into a feature extractor and a prediction head. Clients can flexibly choose shared structures based on heterogeneous situations and upload them to the server, which learns correlations among client models by mining model low-rank structures through tensor trace norm. Furthermore, we derive convergence and generalization bounds under non-convex settings. Evaluated on 6 real-world datasets compared to 13 advanced FL models, FedSAK demonstrates superior performance.

Blind face restoration is a highly ill-posed problem that often requires auxiliary guidance to 1) improve the mapping from degraded inputs to desired outputs, or 2) complement high-quality details lost in the inputs. In this paper, we demonstrate that a learned discrete codebook prior in a small proxy space largely reduces the uncertainty and ambiguity of restoration mapping by casting blind face restoration as a code prediction task, while providing rich visual atoms for generating highquality faces. Under this paradigm, we propose a Transformer-based prediction network, named CodeFormer, to model the global composition and context of the low-quality faces for code prediction, enabling the discovery of natural faces that closely approximate the target faces even when the inputs are severely degraded. To enhance the adaptiveness for different degradation, we also propose a controllable feature transformation module that allows a flexible trade-off between fidelity and quality. Thanks to the expressive codebook prior and global modeling, CodeFormer outperforms the state of the arts in both quality and fidelity, showing superior robustness to degradation. Extensive experimental results on synthetic and realworld datasets verify the effectiveness of our method.

Approximating the action of a matrix function (A) on a vector b is an increasingly important primitive in machine learning, data science, and statistics, with applications such as sampling high dimensional Gaussians, Gaussian process regression and Bayesian inference, principle component analysis, and approximating Hessian spectral densities. Over the past decade, a number of algorithms enjoying strong theoretical guarantees have been proposed for this task. Many of the most successful belong to a family of algorithms called Krylov subspace methods. Remarkably, a classic Krylov subspace method, called the Lanczos method for matrix functions (Lanczos-FA), frequently outperforms newer methods in practice. Our main result is a theoretical justification for this finding: we show that, for a natural class of rational functions, Lanczos-FA matches the error of the best possible Krylov subspace method up to a multiplicative approximation factor. The approximation factor depends on the degree of ()'s denominator and the condition number of A, but not on the number of iterations. Our result provides a strong justification for the excellent performance of Lanczos-FA, especially on functions that are well approximated by rationals, such as the matrix square root.

The Collaborative Research Cycle (CRC) is a National Institute of Standards and Technology (NIST) benchmarking program intended to strengthen understanding of tabular data deidentification technologies. Deidentification algorithms are vulnerable to the same bias and privacy issues that impact other data analytics and machine learning applications, and it can even amplify those issues by contaminating downstream applications. This paper summarizes four CRC contributions: theoretical work on the relationship between diverse populations and challenges for equitable deidentification; public benchmark data focused on diverse populations and challenging features; a comprehensive open source suite of evaluation metrology for deidentified datasets; and an archive of more than 450 deidentified data samples from a broad range of techniques. The initial set of evaluation results demonstrate the value of the CRC tools for investigations in this field.