In the field of pedometrics, tabular machine learning is the predominant method for predicting soil properties from remote and proximal soil sensing data, forming a central component of digital soil mapping. At the field-scale, this predictive soil modeling (PSM) task is typically constrained by small training sample sizes and high feature-to-sample ratios in soil spectroscopy. Traditionally, these conditions have proven challenging for conventional deep learning methods. Classical machine learning algorithms, particularly tree-based models like Random Forest and linear models such as Partial Least Squares Regression, have long been the default choice for field-scale PSM. Recent advances in artificial neural networks (ANN) for tabular data challenge this view, yet their suitability for field-scale PSM has not been proven. We introduce a comprehensive benchmark that evaluates state-of-the-art ANN architectures, including the latest multilayer perceptron (MLP)-based models (TabM, RealMLP), attention-based transformer variants (FT-Transformer, ExcelFormer, T2G-Former, AMFormer), retrieval-augmented approaches (TabR, ModernNCA), and an in-context learning foundation model (TabPFN). Our evaluation encompasses 31 field- and farm-scale datasets containing 30 to 460 samples and three critical soil properties: soil organic matter or soil organic carbon, pH, and clay content. Our results reveal that modern ANNs consistently outperform classical methods on the majority of tasks, demonstrating that deep learning has matured sufficiently to overcome the long-standing dominance of classical machine learning for PSM. Notably, TabPFN delivers the strongest overall performance, showing robustness across varying conditions. We therefore recommend the adoption of modern ANNs for field-scale PSM and propose TabPFN as the new default choice in the toolkit of every pedometrician.

Deep learning has advanced mass spectrometry data interpretation, yet most models remain feature extractors rather than unified scoring frameworks. We present pUniFind, the first large-scale multimodal pre-trained model in proteomics that integrates end-to-end peptide-spectrum scoring with open, zero-shot de novo sequencing. Trained on over 100 million open search-derived spectra, pUniFind aligns spectral and peptide modalities via cross modality prediction and outperforms traditional engines across diverse datasets, particularly achieving a 42.6 percent increase in the number of identified peptides in immunopeptidomics. Supporting over 1,300 modifications, pUniFind identifies 60 percent more PSMs than existing de novo methods despite a 300-fold larger search space. A deep learning based quality control module further recovers 38.5 percent additional peptides including 1,891 mapped to the genome but absent from reference proteomes while preserving full fragment ion coverage. These results establish a unified, scalable deep learning framework for proteomic analysis, offering improved sensitivity, modification coverage, and interpretability.

Fairness-aware learning aims to mitigate discrimination against specific protected social groups (e.g., those categorized by gender, ethnicity, age) while minimizing predictive performance loss. Despite efforts to improve fairness in machine learning, prior studies have shown that many models remain unfair when measured against various fairness metrics. In this paper, we examine whether the way training and testing data are sampled affects the reliability of reported fairness metrics. Since training and test sets are often randomly sampled from the same population, bias present in the training data may still exist in the test data, potentially skewing fairness assessments. To address this, we propose FairMatch, a post-processing method that applies propensity score matching to evaluate and mitigate bias. FairMatch identifies control and treatment pairs with similar propensity scores in the test set and adjusts decision thresholds for different subgroups accordingly. For samples that cannot be matched, we perform probabilistic calibration using fairness-aware loss functions. Experimental results demonstrate that our approach can (a) precisely locate subsets of the test data where the model is unbiased, and (b) significantly reduce bias on the remaining data. Overall, propensity score matching offers a principled way to improve both fairness evaluation and mitigation, without sacrificing predictive performance.

The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challenge in physics and chemistry. Traditional methods like molecular dynamics (MD) simulations and Markov chain Monte Carlo (MCMC) sampling are commonly used but can be time-consuming and costly. Recently, diffusion models have emerged as efficient alternatives by learning the distribution of training data. Obtaining an unbiased target distribution is still an expensive task, primarily because it requires satisfying ergodicity. To tackle these challenges, we propose Potential Score Matching (PSM), an approach that utilizes the potential energy gradient to guide generative models. PSM does not require exact energy functions and can debias sample distributions even when trained on limited and biased data. Our method outperforms existing state-of-the-art (SOTA) models on the Lennard-Jones (LJ) potential, a commonly used toy model. Furthermore, we extend the evaluation of PSM to high-dimensional problems using the MD17 and MD22 datasets. The results demonstrate that molecular distributions generated by PSM more closely approximate the Boltzmann distribution compared to traditional diffusion models.

Precise and real-time estimation of the robotic arm's position on the patient's side is essential for the success of remote robotic surgery in Tactile Internet (TI) environments. This paper presents a prediction model based on the Transformer-based Informer framework for accurate and efficient position estimation. Additionally, it combines a Four-State Hidden Markov Model (4-State HMM) to simulate realistic packet loss scenarios. The proposed approach addresses challenges such as network delays, jitter, and packet loss to ensure reliable and precise operation in remote surgical applications. The method integrates the optimization problem into the Informer model by embedding constraints such as energy efficiency, smoothness, and robustness into its training process using a differentiable optimization layer. The Informer framework uses features such as ProbSparse attention, attention distilling, and a generative-style decoder to focus on position-critical features while maintaining a low computational complexity of O(L log L). The method is evaluated using the JIGSAWS dataset, achieving a prediction accuracy of over 90 percent under various network scenarios. A comparison with models such as TCN, RNN, and LSTM demonstrates the Informer framework's superior performance in handling position prediction and meeting real-time requirements, making it suitable for Tactile Internet-enabled robotic surgery.

As large language models (LLMs) become integrated to decision-making across various sectors, a key question arises: do they exhibit an emergent "moral mind" - a consistent set of moral principles guiding their ethical judgments - and is this reasoning uniform or diverse across models? To investigate this, we presented about forty different models from the main providers with a large array of structured ethical scenarios, creating one of the largest datasets of its kind. Our rationality tests revealed that at least one model from each provider demonstrated behavior consistent with stable moral principles, effectively acting as approximately optimizing a utility function encoding ethical reasoning. We identified these utility functions and observed a notable clustering of models around neutral ethical stances. To investigate variability, we introduced a novel non-parametric permutation approach, revealing that the most rational models shared 59% to 76% of their ethical reasoning patterns. Despite this shared foundation, differences emerged: roughly half displayed greater moral adaptability, bridging diverse perspectives, while the remainder adhered to more rigid ethical structures.

Muscles of the human body are composed of tiny actuators made up of myosin and actin filaments. They can exert force in various shapes such as curved or flat, under contact forces and deformations from the environment. On the other hand, muscles in musculoskeletal robots so far have faced challenges in generating force in such shapes and environments. To address this issue, we propose Patterned Structure Muscle (PSM), artificial muscles for musculoskeletal robots. PSM utilizes patterned structures with anisotropic characteristics, wire-driven mechanisms, and is made of flexible material Thermoplastic Polyurethane (TPU) using FDM 3D printing. This method enables the creation of various shapes of muscles, such as simple 1 degree-of-freedom (DOF) muscles, Multi-DOF wide area muscles, joint-covering muscles, and branched muscles. We created an upper arm structure using these muscles to demonstrate wide range of motion, lifting heavy objects, and movements through environmental contact. These experiments show that the proposed PSM is capable of operating in various shapes and environments, and is suitable for the muscles of musculoskeletal robots.

With the growing access to administrative health databases, retrospective studies have become crucial evidence for medical treatments. Yet, non-randomized studies frequently face selection biases, requiring mitigation strategies. Propensity score matching (PSM) addresses these biases by selecting comparable populations, allowing for analysis without further methodological constraints. However, PSM has several drawbacks. Different matching methods can produce significantly different Average Treatment Effects (ATE) for the same task, even when meeting all validation criteria. To prevent cherry-picking the best method, public authorities must involve field experts and engage in extensive discussions with researchers. To address this issue, we introduce a novel metric, A2A, to reduce the number of valid matches. A2A constructs artificial matching tasks that mirror the original ones but with known outcomes, assessing each matching method's performance comprehensively from propensity estimation to ATE estimation. When combined with Standardized Mean Difference, A2A enhances the precision of model selection, resulting in a reduction of up to 50% in ATE estimation errors across synthetic tasks and up to 90% in predicted ATE variability across both synthetic and real-world datasets. To our knowledge, A2A is the first metric capable of evaluating outcome correction accuracy using covariates not involved in selection. Computing A2A requires solving hundreds of PSMs, we therefore automate all manual steps of the PSM pipeline. We integrate PSM methods from Python and R, our automated pipeline, a new metric, and reproducible experiments into popmatch, our new Python package, to enhance reproducibility and accessibility to bias correction methods.

Textual passwords are still the most widely used user authentication mechanism. Due to the close connections between textual passwords and natural languages, advanced technologies in natural language processing (NLP) and machine learning (ML) could be used to model passwords for different purposes such as studying human password-creation behaviors and developing more advanced password cracking methods for informing better defence mechanisms. In this paper, we propose PassTSL (modeling human-created Passwords through Two-Stage Learning), inspired by the popular pretraining-finetuning framework in NLP and deep learning (DL). We report how different pretraining settings affected PassTSL and proved its effectiveness by applying it to six large leaked password databases. Experimental results showed that it outperforms five state-of-the-art (SOTA) password cracking methods on password guessing by a significant margin ranging from 4.11% to 64.69% at the maximum point. Based on PassTSL, we also implemented a password strength meter (PSM), and our experiments showed that it was able to estimate password strength more accurately, causing fewer unsafe errors (overestimating the password strength) than two other SOTA PSMs when they produce the same rate of safe errors (underestimating the password strength): a neural-network based method and zxcvbn. Furthermore, we explored multiple finetuning settings, and our evaluations showed that, even a small amount of additional training data, e.g., only 0.1% of the pretrained data, can lead to over 3% improvement in password guessing on average. We also proposed a heuristic approach to selecting finetuning passwords based on JS (Jensen-Shannon) divergence and experimental results validated its usefulness. In summary, our contributions demonstrate the potential and feasibility of applying advanced NLP and ML methods to password modeling and cracking.

Accurately estimating the position of a patient's side robotic arm in real time in a remote surgery task is a significant challenge, particularly in Tactile Internet (TI) environments. This paper presents a Kalman Filter (KF) based computationally efficient position estimation method. The study also assume no prior knowledge of the dynamic system model of the robotic arm system. Instead, The JIGSAW dataset, which is a comprehensive collection of robotic surgical data, and the Master Tool Manipulator's (MTM) input are utilized to learn the system model using System Identification (SI) toolkit available in Matlab. We further investigate the effectiveness of KF to determine the position of the Patient Side Manipulator (PSM) under simulated network conditions that include delays, jitter, and packet loss. These conditions reflect the typical challenges encountered in real-world Tactile Internet applications. The results of the study highlight KF's resilience and effectiveness in achieving accurate state estimation despite network-induced uncertainties with over 90\% estimation accuracy.