Microplastics, defined as plastic particles smaller than 5 millimeters, have become a pervasive environmental contaminant that accumulates on beaches due to wind patterns and tidal forcing. Detecting microplastics and mapping their concentration in the wild remains one of the primary challenges in addressing this environmental issue. This paper introduces a novel robotic platform that automatically detects and chemically analyzes microplastics on beach surfaces. This mobile manipulator system scans areas for microplastics using a camera mounted on the robotic arm's end effector. The system effectively segments candidate microplastic particles on sand surfaces even in the presence of organic matter such as leaves and clams. Once a candidate microplastic particle is detected, the system steers a near-infrared (NIR) spectroscopic sensor onto the particle using both NIR and visual feedback to chemically analyze it in real-time. Through experiments in lab and beach environments, the system is shown to achieve an excellent positional precision in manipulation control and high microplastic classification accuracy.

Rapid and reliable solvers for parametric partial differential equations (PDEs) are needed in many scientific and engineering disciplines. For example, there is a growing demand for composites and architected materials with heterogeneous microstructures. Designing such materials and predicting their behavior in practical applications requires solving homogenization problems for a wide range of material parameters and microstructures. While classical numerical solvers offer reliable and accurate solutions supported by a solid theoretical foundation, their high computational costs and slow convergence remain limiting factors. As a result, scientific machine learning is emerging as a promising alternative. However, such approaches often lack guaranteed accuracy and physical consistency. This raises the question of whether it is possible to develop hybrid approaches that combine the advantages of both data-driven methods and classical solvers. To address this, we introduce UNO-CG, a hybrid solver that accelerates conjugate gradient (CG) solvers using specially designed machine-learned preconditioners, while ensuring convergence by construction. As a preconditioner, we propose Unitary Neural Operators as a modification of Fourier Neural Operators. Our method can be interpreted as a data-driven discovery of Green's functions, which are then used to accelerate iterative solvers. We evaluate UNO-CG on various homogenization problems involving heterogeneous microstructures and millions of degrees of freedom. Our results demonstrate that UNO-CG enables a substantial reduction in the number of iterations and is competitive with handcrafted preconditioners for homogenization problems that involve expert knowledge. Moreover, UNO-CG maintains strong performance across a variety of boundary conditions, where many specialized solvers are not applicable, highlighting its versatility and robustness.

Retrieval-Augmented Generation (RAG) systems in chemistry heavily depend on accurate and relevant retrieval of chemical literature. However, general-purpose text embedding models frequently fail to adequately represent complex chemical terminologies, resulting in suboptimal retrieval quality. Specialized embedding models tailored to chemical literature retrieval have not yet been developed, leaving a substantial performance gap. To address this challenge, we introduce ChEmbed, a domain-adapted family of text embedding models fine-tuned on a dataset comprising chemistry-specific text from the PubChem, Semantic Scholar, and ChemRxiv corpora. To create effective training data, we employ large language models to synthetically generate queries, resulting in approximately 1.7 million high-quality query-passage pairs. Additionally, we augment the tokenizer by adding 900 chemically specialized tokens to previously unused slots, which significantly reduces the fragmentation of chemical entities, such as IUPAC names. ChEmbed also maintains a 8192-token context length, enabling the efficient retrieval of longer passages compared to many other open-source embedding models, which typically have a context length of 512 or 2048 tokens. Evaluated on our newly introduced ChemRxiv Retrieval benchmark, ChEmbed outperforms state-of-the-art general embedding models, raising nDCG@10 from 0.82 to 0.91 (+9 pp). ChEmbed represents a practical, lightweight, and reproducible embedding solution that effectively improves retrieval for chemical literature search.

Imbalanced regression arises when the target distribution is skewed, causing models to focus on dense regions and struggle with underrepresented (minority) samples. Despite its relevance across many applications, few methods have been designed specifically for this challenge. Existing approaches often rely on fixed, ad hoc thresholds to label samples as rare or common, overlooking the continuous complexity of the joint feature-target space and fail to represent the true underlying rare regions. To address these limitations, we propose a fully data-driven GAN-based augmentation framework that uses Mahalanobis-Gaussian Mixture Modeling (GMM) to automatically identify minority samples and employs deterministic nearest-neighbour matching to enrich sparse regions. Rather than preset thresholds, our method lets the data determine which observations are truly rare. Evaluation on 32 benchmark imbalanced regression datasets demonstrates that our approach consistently outperforms state-of-the-art data augmentation methods.

Ensuring the safety and reliability of large language models (LLMs) in clinical practice is critical to prevent patient harm and promote trustworthy healthcare applications of AI. However, LLMs are advancing so rapidly that static safety benchmarks often become obsolete upon publication, yielding only an incomplete and sometimes misleading picture of model trustworthiness. We demonstrate that a Dynamic, Automatic, and Systematic (DAS) red-teaming framework that continuously stress-tests LLMs can reveal significant weaknesses of current LLMs across four safety-critical domains: robustness, privacy, bias/fairness, and hallucination. A suite of adversarial agents is applied to autonomously mutate test cases, identify/evolve unsafe-triggering strategies, and evaluate responses, uncovering vulnerabilities in real time without human intervention. Applying DAS to 15 proprietary and open-source LLMs revealed a stark contrast between static benchmark performance and vulnerability under adversarial pressure. Despite a median MedQA accuracy exceeding 80\%, 94\% of previously correct answers failed our dynamic robustness tests. We observed similarly high failure rates across other domains: privacy leaks were elicited in 86\% of scenarios, cognitive-bias priming altered clinical recommendations in 81\% of fairness tests, and we identified hallucination rates exceeding 66\% in widely used models. Such profound residual risks are incompatible with routine clinical practice. By converting red-teaming from a static checklist into a dynamic stress-test audit, DAS red-teaming offers the surveillance that hospitals/regulators/technology vendors require as LLMs become embedded in patient chatbots, decision-support dashboards, and broader healthcare workflows. Our framework delivers an evolvable, scalable, and reliable safeguard for the next generation of medical AI.

In this study, we present a machine learning (ML) framework to predict the axial load-bearing capacity, (kN), of cold-formed steel structural members. The methodology emphasizes robust model selection and interpretability, addressing the limitations of traditional analytical approaches in capturing the nonlinearities and geometrical complexities inherent to buckling behavior. The dataset, comprising key geometric and mechanical parameters of steel columns, was curated with appropriate pre-processing steps including removal of non-informative identifiers and imputation of missing values. A comprehensive suite of regression algorithms, ranging from linear models to kernel-based regressors and ensemble tree methods was evaluated. Among these, Gradient Boosting Regression exhibited superior predictive performance across multiple metrics, including the coefficient of determination (R2), root mean squared error (RMSE), and mean absolute error (MAE), and was consequently selected as the final model. Model interpretability was addressed using SHapley Additive exPlanations (SHAP), enabling insight into the relative importance and interaction of input features influencing the predicted axial capacity. To facilitate practical deployment, the model was integrated into an interactive, Python-based web interface via Streamlit. This tool allows end-users-such as structural engineers and designers, to input design parameters manually or through CSV upload, and to obtain real-time predictions of axial load capacity without the need for programming expertise. Applied to the context of steel storage rack columns, the framework demonstrates how data-driven tools can enhance design safety, streamline validation workflows, and inform decision-making in structural applications where buckling is a critical failure mode

Regional disaster resilience quantifies the changing nature of physical risks to inform policy instruments ranging from local immediate recovery to international sustainable development. While many existing state-of-practice methods have greatly advanced the dynamic mapping of exposure and hazard, our understanding of large-scale physical vulnerability has remained static, costly, limited, region-specific, coarse-grained, overly aggregated, and inadequately calibrated. With the significant growth in the availability of time-series satellite imagery and derived products for exposure and hazard, we focus our work on the equally important yet challenging element of the risk equation: physical vulnerability. We leverage machine learning methods that flexibly capture spatial contextual relationships, limited temporal observations, and uncertainty in a unified probabilistic spatiotemporal inference framework. We therefore introduce Graph Variational State-Space Model (GraphVSSM), a novel modular spatiotemporal approach that uniquely integrates graph deep learning, state-space modeling, and variational inference using time-series data and prior expert belief systems in a weakly supervised or coarse-to-fine-grained manner. We present three major results: a city-wide demonstration in Quezon City, Philippines; an investigation of sudden changes in the cyclone-impacted coastal Khurushkul community (Bangladesh) and mudslide-affected Freetown (Sierra Leone); and an open geospatial dataset, METEOR 2.5D, that spatiotemporally enhances the existing global static dataset for UN Least Developed Countries (2020). Beyond advancing regional disaster resilience assessment and improving our understanding global disaster risk reduction progress, our method also offers a probabilistic deep learning approach, contributing to broader urban studies that require compositional data analysis in weak supervision.

Large Language Models (LLMs) have demonstrated remarkable performance across various domains, yet their capabilities in molecular reasoning remain insufficiently explored. Current approaches tend to rely heavily on general-purpose prompting, which lacks domain-specific molecular semantics, while those that use fine-tuning strategies often face challenges with interpretability and reasoning depth. To address these issues, we introduce MolReasoner, a two-stage framework designed to transition LLMs from memorization towards chemical reasoning. First, we propose Mol-SFT, which initializes the model's reasoning abilities via synthetic Chain-of-Thought (CoT) samples generated by GPT -4o and verified for chemical accuracy. Subsequently, Mol-RL applies reinforcement learning with specialized reward functions designed explicitly to align chemical structures with linguistic descriptions, thereby enhancing molecular reasoning capabilities. Our approach notably enhances interpretability, improving the model's molecular understanding and enabling better generalization. Extensive experiments demonstrate that MolReasoner outperforms existing methods, and marking a significant shift from memorization-based outputs to robust chemical reasoning. Our code is available at https://github.

Large Language Models (LLMs) fine-tuned to align with human values often exhibit alignment drift, producing unsafe or policy-violating completions when exposed to adversarial prompts, decoding perturbations, or paraphrased jailbreaks. While prior work has behaviorally characterized alignment failure, little is known about the training-time belief sources underlying these failures. We introduce TraceAlign, a unified framework for tracing unsafe completions back to their root causes in the model's training corpus. Central to our approach is the Belief Conflict Index (BCI), which quantifies semantic inconsistency between generated spans and aligned policies, based on retrieved training documents using suffix-array matching. We propose three complementary interventions: (i) TraceShield, an inference-time safety filter that refuses completions with high-BCI spans, (ii) Contrastive Belief Deconfliction Loss, a contrastive fine-tuning objective penalizing high-BCI continuations during DPO, and (iii) Prov-Decode, a provenance-aware decoding strategy that vetoes beam expansions predicted to yield high-BCI spans. Together, these defenses reduce alignment drift by up to 85% on our curated Alignment Drift Benchmark (ADB) while preserving utility on standard tasks, with delta less than 0.2 and improved refusal quality. We further derive a theoretical upper bound on drift likelihood via suffix-array span statistics, linking memorization frequency and length to adversarial reactivation risk. TraceAlign thus provides the first scalable, traceable, and grounded toolkit for understanding and mitigating alignment failures at source. To encourage further exploration and development, we open-source our implementation at: https://anonymous.4open.science/r/tracealign-2DA7

This study presents a methodology to treat performance-based seismic design as an inverse engineering problem, where design parameters are directly derived to achieve specific performance objectives. By implementing explainable machine learning models, this methodology directly maps design variables and performance metrics, tackling computational inefficiencies of performance-based design. The resultant machine learning model is integrated as an evaluation function into a genetic optimization algorithm to solve the inverse problem. The developed methodology is then applied to two different inventories of steel and concrete moment frames in Los Angeles and Charleston to obtain sectional properties of frame members that minimize expected annualized seismic loss in terms of repair costs. The results show high accuracy of the surrogate models (e.g., R2> 90%) across a diverse set of building types, geometries, seismic design, and site hazard, where the optimization algorithm could identify the optimum values of members' properties for a fixed set of geometric variables, consistent with engineering principles.