Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules. Diffusion-based models, particularly latent diffusion models (LDMs), have recently shown promise by performing stochastic search in a continuous latent space that compactly captures molecular semantics. Yet existing methods rely on one-shot conditioning, where the entire prompt is encoded once and applied throughout diffusion, making it hard to satisfy all the requirements in the prompt. We discuss three outstanding challenges of one-shot conditioning generation, including the poor interpretability of the generated components, the failure to generate all substructures, and the overambition in considering all requirements simultaneously. We then propose three principles to address those challenges, motivated by which we propose Chain-of-Generation (CoG), a training-free multi-stage latent diffusion framework. CoG decomposes each prompt into curriculum-ordered semantic segments and progressively incorporates them as intermediate goals, guiding the denoising trajectory toward molecules that satisfy increasingly rich linguistic constraints. To reinforce semantic guidance, we further introduce a post-alignment learning phase that strengthens the correspondence between textual and molecular latent spaces. Extensive experiments on benchmark and real-world tasks demonstrate that CoG yields higher semantic alignment, diversity, and controllability than one-shot baselines, producing molecules that more faithfully reflect complex, compositional prompts while offering transparent insight into the generation process.

Smart cities and pervasive IoT deployments have generated interest in IoT data analysis across transportation and urban planning. At the same time, Large Language Models offer a new interface for exploring IoT data - particularly through natural language. Users today face two key challenges when working with IoT data using LLMs: (1) data collection infrastructure is expensive, producing terabytes of low-level sensor readings that are too granular for direct use, and (2) data analysis is slow, requiring iterative effort and technical expertise. Directly feeding all IoT telemetry to LLMs is impractical due to finite context windows, prohibitive token costs at scale, and non-interactive latencies. What is missing is a system that first parses a user's query to identify the analytical task, then selects the relevant data slices, and finally chooses the right representation before invoking an LLM. We present Flash-Fusion, an end-to-end edge-cloud system that reduces the IoT data collection and analysis burden on users. Two principles guide its design: (1) edge-based statistical summarization (achieving 73.5% data reduction) to address data volume, and (2) cloud-based query planning that clusters behavioral data and assembles context-rich prompts to address data interpretation. We deploy Flash-Fusion on a university bus fleet and evaluate it against a baseline that feeds raw data to a state-of-the-art LLM. Flash-Fusion achieves a 95% latency reduction and 98% decrease in token usage and cost while maintaining high-quality responses. It enables personas across disciplines - safety officers, urban planners, fleet managers, and data scientists - to efficiently iterate over IoT data without the burden of manual query authoring or preprocessing.

Mental health illness represents a substantial global socioeconomic burden, with COVID - 19 further exacerbating accessibility challenges and driving increased demand for telehealth mental health support. While large language models ( L LMs) offer promising solutions through 24/7 availability and non - judgmental interactions, pre - trained models often lack the contextual and emotional awareness necessary for appropriate therapeutic responses. This paper investigated the application of supervised fine - tu ning (SFT) and reinforcement learning (RL) techniques to enhance GPT - 2's capacity for therapeutic dialogue generation. The methodology restructured input formats to enable simultaneous processing of contextual information and emotional states alongside user input, employing a multi - component reward function that aligned model outputs with professional therapist responses and annotated emotions. Results demonstrated improvements through reinforcement learning over baseline GPT - 2 across multiple evaluation me trics: BLEU (0.0111), ROUGE - 1 (0.1397), ROUGE - 2 (0.0213), ROUGE - L (0.1317), and METEOR (0.0581). LLM evaluation confirmed high contextual relevance and professionalism, while reinforcement learning achieved 99.34% emotion accuracy compared to 66.96% for baseline GPT - 2. These findings demonstrate reinforcement learning's effectiveness in developing therap eutic dialogue systems that can serve as valuable assistive tools for therapists while maintaining essential human clinical oversight. The code and a ppendic es are publicly available at: https://github.com/ez

Clinical notes contain valuable, context-rich information, but their unstructured format introduces several challenges, including unintended biases (e.g., gender or racial bias), and poor generalization across clinical settings (e.g., models trained on one EHR system may perform poorly on another due to format differences) and poor interpretability. To address these issues, we present ClinStructor, a pipeline that leverages large language models (LLMs) to convert clinical free-text into structured, task-specific question-answer pairs prior to predictive modeling. Our method substantially enhances transparency and controllability and only leads to a modest reduction in predictive performance (a 2-3% drop in AUC), compared to direct fine-tuning, on the ICU mortality prediction task. ClinStructor lays a strong foundation for building reliable, interpretable, and generalizable machine learning models in clinical environments.

Large language models (LLMs) have shown considerable promise in clinical natural language processing, yet few domain-specific datasets exist to rigorously evaluate their performance on radiology tasks. In this work, we introduce an annotated corpus of 6,393 radiology reports from 586 patients, each labeled for follow-up imaging status, to support the development and benchmarking of follow-up adherence detection systems. Using this corpus, we systematically compared traditional machine-learning classifiers, including logistic regression (LR), support vector machines (SVM), Longformer, and a fully fine-tuned Llama3-8B-Instruct, with recent generative LLMs. To evaluate generative LLMs, we tested GPT-4o and the open-source GPT-OSS-20B under two configurations: a baseline (Base) and a task-optimized (Advanced) setting that focused inputs on metadata, recommendation sentences, and their surrounding context. A refined prompt for GPT-OSS-20B further improved reasoning accuracy. Performance was assessed using precision, recall, and F1 scores with 95% confidence intervals estimated via non-parametric bootstrapping. Inter-annotator agreement was high (F1 = 0.846). GPT-4o (Advanced) achieved the best performance (F1 = 0.832), followed closely by GPT-OSS-20B (Advanced; F1 = 0.828). LR and SVM also performed strongly (F1 = 0.776 and 0.775), underscoring that while LLMs approach human-level agreement through prompt optimization, interpretable and resource-efficient models remain valuable baselines.

Story understanding and analysis have long been challenging areas within Natural Language Understanding. Automated narrative analysis requires deep computational semantic representations along with syntactic processing. Moreover, the large volume of narrative data demands automated semantic analysis and computational learning rather than manual analytical approaches. In this paper, we propose a framework that analyzes the sentiment arcs of movie scripts and performs extended analysis related to the context of the characters involved. The framework enables the extraction of high-level and low-level concepts conveyed through the narrative. Using dictionary-based sentiment analysis, our approach applies a custom lexicon built with the LabMTsimple storylab module. The custom lexicon is based on the Valence, Arousal, and Dominance scores from the NRC-VAD dataset. Furthermore, the framework advances the analysis by clustering similar sentiment plots using Wards hierarchical clustering technique. Experimental evaluation on a movie dataset shows that the resulting analysis is helpful to consumers and readers when selecting a narrative or story.

Ensuring worker safety remains a critical challenge in modern manufacturing environments. Industry 5.0 reorients the prevailing manufacturing paradigm toward more human-centric operations. Using a design science research methodology, we identify three essential requirements for next-generation safety training systems: high accuracy, low latency, and low cost. We introduce a multimodal chatbot powered by large language models that meets these design requirements. The chatbot uses retrieval-augmented generation to ground its responses in curated regulatory and technical documentation. To evaluate our solution, we developed a domain-specific benchmark of expert-validated question and answer pairs for three representative machines: a Bridgeport manual mill, a Haas TL-1 CNC lathe, and a Universal Robots UR5e collaborative robot. We tested 24 RAG configurations using a full-factorial design and assessed them with automated evaluations of correctness, latency, and cost. Our top 2 configurations were then evaluated by ten industry experts and academic researchers. Our results show that retrieval strategy and model configuration have a significant impact on performance. The top configuration (selected for chatbot deployment) achieved an accuracy of 86.66%, an average latency of 10.04 seconds, and an average cost of $0.005 per query. Overall, our work provides three contributions: an open-source, domain-grounded safety training chatbot; a validated benchmark for evaluating AI-assisted safety instruction; and a systematic methodology for designing and assessing AI-enabled instructional and immersive safety training systems for Industry 5.0 environments.

Transparency and security are both central to Responsible AI, but they may conflict in adversarial settings. We investigate the strategic effect of transparency for agents through the lens of transferable adversarial example attacks. In transferable adversarial example attacks, attackers maliciously perturb their inputs using surrogate models to fool a defender's target model. These models can be defended or undefended, with both players having to decide which to use. Using a large-scale empirical evaluation of nine attacks across 181 models, we find that attackers are more successful when they match the defender's decision; hence, obscurity could be beneficial to the defender. With game theory, we analyze this trade-off between transparency and security by modeling this problem as both a Nash game and a Stackelberg game, and comparing the expected outcomes. Our analysis confirms that only knowing whether a defender's model is defended or not can sometimes be enough to damage its security. This result serves as an indicator of the general trade-off between transparency and security, suggesting that transparency in AI systems can be at odds with security. Beyond adversarial machine learning, our work illustrates how game-theoretic reasoning can uncover conflicts between transparency and security.

Large Vision-Language Models (LVLMs) typically align visual features from an encoder with a pre-trained Large Language Model (LLM). However, this makes the visual perception module a bottleneck, which constrains the overall capabilities of LVLMs. Conventional evaluation benchmarks, while rich in visual semantics, often contain unavoidable local shortcuts that can lead to an overestimation of models' perceptual abilities. Here, we introduce TopoPerception, a benchmark that leverages topological properties to rigorously evaluate the global visual perception capabilities of LVLMs across various granularities. Since topology depends on the global structure of an image and is invariant to local features, TopoPerception enables a shortcut-free assessment of global perception, fundamentally distinguishing it from semantically rich tasks. We evaluate state-of-the-art models on TopoPerception and find that even at the coarsest perceptual granularity, all models perform no better than random chance, indicating a profound inability to perceive global visual features. Notably, a consistent trend emerge within model families: more powerful models with stronger reasoning capabilities exhibit lower accuracy. This suggests that merely scaling up models is insufficient to address this deficit and may even exacerbate it. Progress may require new training paradigms or architectures. TopoPerception not only exposes a critical bottleneck in current LVLMs but also offers a lens and direction for improving their global visual perception. The data and code are publicly available at: https://github.com/Wenhao-Zhou/TopoPerception.

We consider a discrete-time formulation for a class of high-dimensional stochastic joint replenishment problems. First, we approximate the problem by a continuous-time impulse control problem. Exploiting connections among the impulse control problem, backward stochastic differential equations (BSDEs) with jumps, and the stochastic target problem, we develop a novel, simulation-based computational method that relies on deep neural networks to solve the impulse control problem. Based on that solution, we propose an implementable inventory control policy for the original (discrete-time) stochastic joint replenishment problem, and test it against the best available benchmarks in a series of test problems. For the problems studied thus far, our method matches or beats the best benchmark we could find, and it is computationally feasible up to at least 50 dimensions -- that is, 50 stock-keeping units (SKUs).