Machine learning (ML) models are increasingly used for personnel assessment and selection (e.g., resume screeners, automatically scored interviews). However, concerns have been raised throughout society that ML assessments may be biased and perpetuate or exacerbate inequality. Although organizational researchers have begun investigating ML assessments from traditional psychometric and legal perspectives, there is a need to understand, clarify, and integrate fairness operationalizations and algorithmic bias mitigation methods from the computer science, data science, and organizational research literatures. We present a four-stage model of developing ML assessments and applying bias mitigation methods, including 1) generating the training data, 2) training the model, 3) testing the model, and 4) deploying the model. When introducing the four-stage model, we describe potential sources of bias and unfairness at each stage. Then, we systematically review definitions and operationalizations of algorithmic bias, legal requirements governing personnel selection from the United States and Europe, and research on algorithmic bias mitigation across multiple domains and integrate these findings into our framework. Our review provides insights for both research and practice by elucidating possible mechanisms of algorithmic bias while identifying which bias mitigation methods are legal and effective. This integrative framework also reveals gaps in the knowledge of algorithmic bias mitigation that should be addressed by future collaborative research between organizational researchers, computer scientists, and data scientists. We provide recommendations for developing and deploying ML assessments, as well as recommendations for future research into algorithmic bias and fairness.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of \emph{relative signal strength} (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple \emph{Noise Ignorant Empirical Risk Minimization (NI-ERM)} principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Scaling has been critical in improving model performance and generalization in machine learning. It involves how a model's performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in other areas, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations. The dominant paradigm here is to incorporate many physical domain constraints into the model, such as rotational equivariance. We contend that these complex constraints inhibit the scaling ability of NNIPs, and are likely to lead to performance plateaus in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling strategies. Our findings indicate that scaling the model through attention mechanisms is efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency--at least 10x faster inference, 5x less memory usage--compared to existing NNIPs. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept for developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.

This paper proposes a new data-driven methodology for predicting intervals of post-fault voltage trajectories in power systems. We begin by introducing the Quantile Attention-Fourier Deep Operator Network (QAF-DeepONet), designed to capture the complex dynamics of voltage trajectories and reliably estimate quantiles of the target trajectory without any distributional assumptions. The proposed operator regression model maps the observed portion of the voltage trajectory to its unobserved post-fault trajectory. Our methodology employs a pre-training and fine-tuning process to address the challenge of limited data availability. To ensure data privacy in learning the pre-trained model, we use merging via federated learning with data from neighboring buses, enabling the model to learn the underlying voltage dynamics from such buses without directly sharing their data. After pre-training, we fine-tune the model with data from the target bus, allowing it to adapt to unique dynamics and operating conditions. Finally, we integrate conformal prediction into the fine-tuned model to ensure coverage guarantees for the predicted intervals. We evaluated the performance of the proposed methodology using the New England 39-bus test system considering detailed models of voltage and frequency controllers. Two metrics, Prediction Interval Coverage Probability (PICP) and Prediction Interval Normalized Average Width (PINAW), are used to numerically assess the model's performance in predicting intervals. The results show that the proposed approach offers practical and reliable uncertainty quantification in predicting the interval of post-fault voltage trajectories.

The emergence of foundational models and generative artificial intelligence (GenAI) is poised to transform productivity in scientific computing, especially in code development, refactoring, and translating from one programming language to another. However, because the output of GenAI cannot be guaranteed to be correct, manual intervention remains necessary. Some of this intervention can be automated through task-specific tools, alongside additional methodologies for correctness verification and effective prompt development. We explored the application of GenAI in assisting with code translation, language interoperability, and codebase inspection within a legacy Fortran codebase used to simulate particle interactions at the Large Hadron Collider (LHC). In the process, we developed a tool, CodeScribe, which combines prompt engineering with user supervision to establish an efficient process for code conversion. In this paper, we demonstrate how CodeScribe assists in converting Fortran code to C++, generating Fortran-C APIs for integrating legacy systems with modern C++ libraries, and providing developer support for code organization and algorithm implementation. We also address the challenges of AI-driven code translation and highlight its benefits for enhancing productivity in scientific computing workflows.

Introduction Tracing the spread of ideas and the presence of influence is a question of special importance across a wide range of disciplines, ranging from intellectual history to cultural analytics, computational social science, and the science of science. Method We collect a corpus of open source journal articles, generate Knowledge Graph representations using the Gemini LLM, and attempt to predict the existence of citations between sampled pairs of articles using previously published methods and a novel Graph Neural Network based embedding model. Results We demonstrate that our knowledge graph embedding method is superior at distinguishing pairs of articles with and without citation. Once trained, it runs efficiently and can be fine - tuned on specific corpora to suit individual researcher needs. Conclusion ( s) This experiment demonstrates that the relationships encoded in a knowledge graph, especially the types of concepts brought together by specific relations can encode information capable of revealing intellectual influence. This suggests that further work in analyzing document level knowledge graphs to understand latent structures c ould provide valuable insights.

Hindsight experience replay (HER) is well-known to accelerate goal-based reinforcement learning (RL). While HER is generally applied to off-policy RL algorithms, we previously showed that HER can also accelerate on-policy algorithms, such as proximal policy optimization (PPO), for goal-based Predator-Prey environments. Here, we show that we can improve the previous PPO-HER algorithm by selectively applying HER in a principled manner.

There is no doubt that Artificial Intelligence (AI) has taken over an important part of our lives and its recent popularisation with large language models has anchored this change even more in our current landscape. The use of AI is becoming more and more widespread reaching new sectors such as health, aeronautics, energy, etc., where it can bring tremendous benefits but could also cause environmental, economic, or human damage, in critical or high-risk systems. In fact, numerous issues are still being uncovered around the use of AI, ranging from its lack of robustness in the face of adversarial attacks [1, 2], to the confidentiality and privacy of the data used, the fairness of the decisions, etc. Faced with these threats and the exponential growth of its use, regulations have started to emerge with the European AI Act. Not waiting for regulations, tools have already been developed to respond to and mitigate these threats by providing various guarantees from the data collection phase to AI training and validation of the AI. Our interest here lies in this last phase, the formal validation of an AI system, and more specifically a neural network, to allow its use in a high-risk system.

Climate decision making is constrained by the complexity and inaccessibility of key information within lengthy, technical, and multi-lingual documents. Generative AI technologies offer a promising route for improving the accessibility of information contained within these documents, but suffer from limitations. These include (1) a tendency to hallucinate or mis-represent information, (2) difficulty in steering or guaranteeing properties of generated output, and (3) reduced performance in specific technical domains. To address these challenges, we introduce a novel evaluation framework with domain-specific dimensions tailored for climate-related documents. We then apply this framework to evaluate Retrieval-Augmented Generation (RAG) approaches and assess retrieval- and generation-quality within a prototype tool that answers questions about individual climate law and policy documents. In addition, we publish a human-annotated dataset and scalable automated evaluation tools, with the aim of facilitating broader adoption and robust assessment of these systems in the climate domain. Our findings highlight the key components of responsible deployment of RAG to enhance decision-making, while also providing insights into user experience (UX) considerations for safely deploying such systems to build trust with users in high-risk domains.

Clouds in satellite imagery pose a significant challenge for downstream applications. A major challenge in current cloud removal research is the absence of a comprehensive benchmark and a sufficiently large and diverse training dataset. To address this problem, we introduce the largest public dataset -- $\textit{AllClear}$ for cloud removal, featuring 23,742 globally distributed regions of interest (ROIs) with diverse land-use patterns, comprising 4 million images in total. Each ROI includes complete temporal captures from the year 2022, with (1) multi-spectral optical imagery from Sentinel-2 and Landsat 8/9, (2) synthetic aperture radar (SAR) imagery from Sentinel-1, and (3) auxiliary remote sensing products such as cloud masks and land cover maps. We validate the effectiveness of our dataset by benchmarking performance, demonstrating the scaling law -- the PSNR rises from $28.47$ to $33.87$ with $30\times$ more data, and conducting ablation studies on the temporal length and the importance of individual modalities. This dataset aims to provide comprehensive coverage of the Earth's surface and promote better cloud removal results.