The recent advancement of foundation models (FMs) has brought about a paradigm shift, revolutionizing various sectors worldwide. The popular optimizers used to train these models are stochastic gradient descent-based algorithms, which face inherent limitations, such as slow convergence and stringent assumptions for convergence. In particular, data heterogeneity arising from distributed settings poses significant challenges to their theoretical and numerical performance. This paper develops an algorithm, PISA ({P}reconditioned {I}nexact {S}tochastic {A}lternating Direction Method of Multipliers), which enables scalable parallel computing and supports various second-moment schemes. Grounded in rigorous theoretical guarantees, the algorithm converges under the sole assumption of Lipschitz continuity of the gradient, thereby removing the need for other conditions commonly imposed by stochastic methods. This capability enables PISA to tackle the challenge of data heterogeneity effectively. Comprehensive experimental evaluations for training or fine-tuning diverse FMs, including vision models, large language models, reinforcement learning models, generative adversarial networks, and recurrent neural networks, demonstrate its superior numerical performance compared to various state-of-the-art optimizers.

The rapid advancement of generative models has led to the proliferation of highly realistic AI-generated images, posing significant challenges for detection methods to generalize across diverse and evolving generative techniques. Existing approaches often fail to adapt to unknown models without costly retraining, limiting their practicability. To fill this gap, we propose Post-hoc Distribution Alignment (PDA), a novel approach for the generalizable detection for AI-generated images. The key idea is to use the known generative model to regenerate undifferentiated test images. This process aligns the distributions of the re-generated real images with the known fake images, enabling effective distinction from unknown fake images. PDA employs a two-step detection framework: 1) evaluating whether a test image aligns with the known fake distribution based on deep k-nearest neighbor (KNN) distance, and 2) re-generating test images using known generative models to create pseudo-fake images for further classification. This alignment strategy allows PDA to effectively detect fake images without relying on unseen data or requiring retraining. Extensive experiments demonstrate the superiority of PDA, achieving 96.73\% average accuracy across six state-of-the-art generative models, including GANs, diffusion models, and text-to-image models, and improving by 16.07\% over the best baseline. Through t-SNE visualizations and KNN distance analysis, we provide insights into PDA's effectiveness in separating real and fake images. Our work provides a flexible and effective solution for real-world fake image detection, advancing the generalization ability of detection systems.

The MITRE ATT&CK framework is a widely adopted tool for enhancing cybersecurity, supporting threat intelligence, incident response, attack modeling, and vulnerability prioritization. This paper synthesizes research on its application across these domains by analyzing 417 peer-reviewed publications. We identify commonly used adversarial tactics, techniques, and procedures (TTPs) and examine the integration of natural language processing (NLP) and machine learning (ML) with ATT&CK to improve threat detection and response. Additionally, we explore the interoperability of ATT&CK with other frameworks, such as the Cyber Kill Chain, NIST guidelines, and STRIDE, highlighting its versatility. The paper further evaluates the framework from multiple perspectives, including its effectiveness, validation methods, and sector-specific challenges, particularly in industrial control systems (ICS) and healthcare. We conclude by discussing current limitations and proposing future research directions to enhance the applicability of ATT&CK in dynamic cybersecurity environments.

The evolution of microscopy, beginning with its invention in the late 16th century, has continuously enhanced our ability to explore and understand the microscopic world, enabling increasingly detailed observations of structures and phenomena. In parallel, the rise of data-driven science has underscored the need for sophisticated methods to explore and understand the composition of complex data collections. This paper introduces the Vendiscope, the first algorithmic microscope designed to extend traditional microscopy to computational analysis. The Vendiscope leverages the Vendi scores -- a family of differentiable diversity metrics rooted in ecology and quantum mechanics -- and assigns weights to data points based on their contribution to the overall diversity of the collection. These weights enable high-resolution data analysis at scale. We demonstrate this across biology, materials science, and machine learning (ML). We analyzed the $250$ million protein sequences in the protein universe, discovering that over $200$ million are near-duplicates and that AlphaFold fails on proteins with Gene Ontology (GO) functions that contribute most to diversity. Applying the Vendiscope to the Materials Project database led to similar findings: more than $85\%$ of the crystals with formation energy data are near-duplicates and ML models perform poorly on materials that enhance diversity. Additionally, the Vendiscope can be used to study phenomena such as memorization in generative models. We used the Vendiscope to identify memorized training samples from $13$ different generative models and found that the best-performing ones often memorize the training samples that contribute least to diversity. Our findings demonstrate that the Vendiscope can serve as a powerful tool for data-driven science.

This study presents the development and testing of a conversational speech system designed for robots to detect speech biomarkers indicative of cognitive impairments in people living with dementia (PLwD). The system integrates a backend Python WebSocket server and a central core module with a large language model (LLM) fine-tuned for dementia to process user input and generate robotic conversation responses in real-time in less than 1.5 seconds. The frontend user interface, a Progressive Web App (PWA), displays information and biomarker score graphs on a smartphone in real-time to human users (PLwD, caregivers, clinicians). Six speech biomarkers based on the existing literature - Altered Grammar, Pragmatic Impairments, Anomia, Disrupted Turn-Taking, Slurred Pronunciation, and Prosody Changes - were developed for the robot conversation system using two datasets, one that included conversations of PLwD with a human clinician (DementiaBank dataset) and one that included conversations of PLwD with a robot (Indiana dataset). We also created a composite speech biomarker that combined all six individual biomarkers into a single score. The speech system's performance was first evaluated on the DementiaBank dataset showing moderate correlation with MMSE scores, with the composite biomarker score outperforming individual biomarkers. Analysis of the Indiana dataset revealed higher and more variable biomarker scores, suggesting potential differences due to study populations (e.g. severity of dementia) and the conversational scenario (human-robot conversations are different from human-human). The findings underscore the need for further research on the impact of conversational scenarios on speech biomarkers and the potential clinical applications of robotic speech systems.

The proliferation of social media platforms has led to an increase in the spread of hate speech, particularly targeting vulnerable communities. Unfortunately, existing methods for automatically identifying and blocking toxic language rely on pre-constructed lexicons, making them reactive rather than adaptive. As such, these approaches become less effective over time, especially when new communities are targeted with slurs not included in the original datasets. To address this issue, we present an adaptive approach that uses word embeddings to update lexicons and develop a hybrid model that adjusts to emerging slurs and new linguistic patterns. This approach can effectively detect toxic language, including intentional spelling mistakes employed by aggressors to avoid detection. Our hybrid model, which combines BERT with lexicon-based techniques, achieves an accuracy of 95% for most state-of-the-art datasets. Our work has significant implications for creating safer online environments by improving the detection of toxic content and proactively updating the lexicon. Content Warning: This paper contains examples of hate speech that may be triggering.

Accurate prediction of CB2 receptor ligand activity is pivotal for advancing drug discovery targeting this receptor, which is implicated in inflammation, pain management, and neurodegenerative conditions. Although conventional machine learning and deep learning techniques have shown promise, their limited interpretability remains a significant barrier to rational drug design. In this work, we introduce CB2former, a framework that combines a Graph Convolutional Network with a Transformer architecture to predict CB2 receptor ligand activity. By leveraging the Transformer's self attention mechanism alongside the GCN's structural learning capability, CB2former not only enhances predictive performance but also offers insights into the molecular features underlying receptor activity. We benchmark CB2former against diverse baseline models including Random Forest, Support Vector Machine, K Nearest Neighbors, Gradient Boosting, Extreme Gradient Boosting, Multilayer Perceptron, Convolutional Neural Network, and Recurrent Neural Network and demonstrate its superior performance with an R squared of 0.685, an RMSE of 0.675, and an AUC of 0.940. Moreover, attention weight analysis reveals key molecular substructures influencing CB2 receptor activity, underscoring the model's potential as an interpretable AI tool for drug discovery. This ability to pinpoint critical molecular motifs can streamline virtual screening, guide lead optimization, and expedite therapeutic development. Overall, our results showcase the transformative potential of advanced AI approaches exemplified by CB2former in delivering both accurate predictions and actionable molecular insights, thus fostering interdisciplinary collaboration and innovation in drug discovery.

Existing algorithms for online conformal prediction -- guaranteeing marginal coverage in adversarial settings -- are variants of online gradient descent (OGD), but their analyses of worst-case coverage do not follow from the regret guarantee of OGD. What is the relationship between no-regret learning and online conformal prediction? We observe that although standard regret guarantees imply marginal coverage in i.i.d. settings, this connection fails as soon as we either move to adversarial environments or ask for group conditional coverage. On the other hand, we show a tight connection between threshold calibrated coverage and swap-regret in adversarial settings, which extends to group-conditional (multi-valid) coverage. We also show that algorithms in the follow the perturbed leader family of no regret learning algorithms (which includes online gradient descent) can be used to give group-conditional coverage guarantees in adversarial settings for arbitrary grouping functions. Via this connection we analyze and conduct experiments using a multi-group generalization of the ACI algorithm of Gibbs & Candes [2021] (arXiv:2106.00170).

Elo rating, widely used for skill assessment across diverse domains ranging from competitive games to large language models, is often understood as an incremental update algorithm for estimating a stationary Bradley-Terry (BT) model. However, our empirical analysis of practical matching datasets reveals two surprising findings: (1) Most games deviate significantly from the assumptions of the BT model and stationarity, raising questions on the reliability of Elo. (2) Despite these deviations, Elo frequently outperforms more complex rating systems, such as mElo and pairwise models, which are specifically designed to account for non-BT components in the data, particularly in terms of win rate prediction. This paper explains this unexpected phenomenon through three key perspectives: (a) We reinterpret Elo as an instance of online gradient descent, which provides no-regret guarantees even in misspecified and non-stationary settings. (b) Through extensive synthetic experiments on data generated from transitive but non-BT models, such as strongly or weakly stochastic transitive models, we show that the ''sparsity'' of practical matching data is a critical factor behind Elo's superior performance in prediction compared to more complex rating systems. (c) We observe a strong correlation between Elo's predictive accuracy and its ranking performance, further supporting its effectiveness in ranking.

With the rapid development of energy storage technology, high-performance solid-state electrolytes (SSEs) have become critical for next-generation lithium-ion batteries. These materials require high ionic conductivity, excellent electrochemical stability, and good mechanical properties to meet the demands of electric vehicles and portable electronics. However, traditional methods like density functional theory (DFT) and empirical force fields face challenges such as high computational costs, poor scalability, and limited accuracy across material systems. Universal machine learning interatomic potentials (uMLIPs) offer a promising solution with their efficiency and near-DFT-level accuracy.This study systematically evaluates six advanced uMLIP models (MatterSim, MACE, SevenNet, CHGNet, M3GNet, and ORBFF) in terms of energy, forces, thermodynamic properties, elastic moduli, and lithium-ion diffusion behavior. The results show that MatterSim outperforms others in nearly all metrics, particularly in complex material systems, demonstrating superior accuracy and physical consistency. Other models exhibit significant deviations due to issues like energy inconsistency or insufficient training data coverage.Further analysis reveals that MatterSim achieves excellent agreement with reference values in lithium-ion diffusivity calculations, especially at room temperature. Studies on Li3YCl6 and Li6PS5Cl uncover how crystal structure, anion disorder levels, and Na/Li arrangements influence ionic conductivity. Appropriate S/Cl disorder levels and optimized Na/Li arrangements enhance diffusion pathway connectivity, improving overall ionic transport performance.