The integration of Large Language Models (LLMs) into healthcare demands a safety paradigm rooted in \textit{primum non nocere}. However, current alignment techniques rely on generic definitions of harm that fail to capture context-dependent violations, such as administrative fraud and clinical discrimination. To address this, we introduce Medical Malice: a dataset of 214,219 adversarial prompts calibrated to the regulatory and ethical complexities of the Brazilian Unified Health System (SUS). Crucially, the dataset includes the reasoning behind each violation, enabling models to internalize ethical boundaries rather than merely memorizing a fixed set of refusals. Using an unaligned agent (Grok-4) within a persona-driven pipeline, we synthesized high-fidelity threats across seven taxonomies, ranging from procurement manipulation and queue-jumping to obstetric violence. We discuss the ethical design of releasing these "vulnerability signatures" to correct the information asymmetry between malicious actors and AI developers. Ultimately, this work advocates for a shift from universal to context-aware safety, providing the necessary resources to immunize healthcare AI against the nuanced, systemic threats inherent to high-stakes medical environments -- vulnerabilities that represent the paramount risk to patient safety and the successful integration of AI in healthcare systems.

Large-scale disasters can often result in catastrophic consequences on people and infrastructure. Situation awareness about such disaster impacts generated by authoritative data from in-situ sensors, remote sensing imagery, and/or geographic data is often limited due to atmospheric opacity, satellite revisits, and time limitations. This often results in geo-temporal information gaps. In contrast, impact-related social media posts can act as "geo-sensors" during a disaster, where people describe specific impacts and locations. However, not all locations mentioned in disaster-related social media posts relate to an impact. Only the impacted locations are critical for directing resources effectively. e.g., "The death toll from a fire which ripped through the Greek coastal town of #Mati stood at 80, with dozens of people unaccounted for as forensic experts tried to identify victims who were burned alive #Greecefires #AthensFires #Athens #Greece." contains impacted location "Mati" and non-impacted locations "Greece" and "Athens". This research uses Large Language Models (LLMs) to identify all locations, impacts and impacted locations mentioned in disaster-related social media posts. In the process, LLMs are fine-tuned to identify only impacts and impacted locations (as distinct from other, non-impacted locations), including locations mentioned in informal expressions, abbreviations, and short forms. Our fine-tuned model demonstrates efficacy, achieving an F1-score of 0.69 for impact and 0.74 for impacted location extraction, substantially outperforming the pre-trained baseline. These robust results confirm the potential of fine-tuned language models to offer a scalable solution for timely decision-making in resource allocation, situational awareness, and post-disaster recovery planning for responders.

The discovery of next-generation photoinitiators for two-photon polymerization (TPP) is hindered by the absence of large, open datasets containing the quantum-chemical and photophysical properties required to model photodissociation and excited-state behavior. Existing molecular datasets typically provide only basic physicochemical descriptors and therefore cannot support data-driven screening or AI-assisted design of photoinitiators. To address this gap, we introduce QuantumChem-200K, a large-scale dataset of over 200,000 organic molecules annotated with eleven quantum-chemical properties, including two-photon absorption (TPA) cross sections, TPA spectral ranges, singlet-triplet intersystem crossing (ISC) energies, toxicity and synthetic accessibility scores, hydrophilicity, solubility, boiling point, molecular weight, and aromaticity. These values are computed using a hybrid workflow that integrates density function theory (DFT), semi-empirical excited-state methods, atomistic quantum solvers, and neural-network predictors. Using QuantumChem-200K, we fine tune the open-source Qwen2.5-32B large language model to create a chemistry AI assistant capable of forward property prediction from SMILES. Benchmarking on 3000 unseen molecules from VQM24 and ZINC20 demonstrates that domain-specific fine-tuning significantly improves accuracy over GPT-4o, Llama-3.1-70B, and the base Qwen2.5-32B model, particularly for TPA and ISC predictions central to photoinitiator design. QuantumChem-200K and the corresponding AI assistant together provide the first scalable platform for high-throughput, LLM-driven photoinitiator screening and accelerated discovery of photosensitive materials.

We analyze reasoning in language models during task-specific fine-tuning and draws parallel between reasoning tokens--intermediate steps generated while solving problem and the human working memory. Drawing from cognitive science, we align training dynamics with the Four Stages of Competence: models initially produce incorrect outputs without reasoning, then begin reasoning (but still fail), eventually reason effectively, and finally solve tasks without explicit reasoning. We find that reasoning token length expands as performance improves, peaks at the stage of conscious competence, then declines as the model internalizes the task. Notably, after training, models retain performance even when reasoning is removed--suggesting it scaffolded learning but is no longer needed. This progression offers actionable insights: reasoning token dynamics can serve as a signal for diagnosing training stage, identifying convergence, and guiding early stopping. We propose metrics to track this trajectory and argue that reasoning behavior is valuable for understanding and optimizing reasoning model training.

With the growing use of Large Language Model (LLM)- based Question-Answering (QA) systems in education, it is critical to evaluate their performance across individual pipeline components. In this work, we introduce EduMod-LLM, a modular function-calling LLM pipeline, and present a comprehensive evaluation along three key axes: function calling strategies, retrieval methods, and generative language models. Our framework enables fine-grained analysis by isolating and assessing each component. We benchmark function-calling performance across LLMs, compare our novel structure-aware retrieval method to vector-based and LLM-scoring baselines, and evaluate various LLMs for response synthesis. This modular approach reveals specific failure modes and performance patterns, supporting the development of interpretable and effective educational QA systems. Our findings demonstrate the value of modular function calling in improving system transparency and pedagogical alignment.

We present the first large-scale analysis of AI foundation model usage in science - not just citations or keywords. We find that adoption has grown rapidly, at nearly-exponential rates, with the highest uptake in Linguistics, Computer Science, and Engineering. Vision models are the most used foundation models in science, although language models' share is growing. Open-weight models dominate. As AI builders increase the parameter counts of their models, scientists have followed suit but at a much slower rate: in 2013, the median foundation model built was 7.7x larger than the median one adopted in science, by 2024 this had jumped to 26x. We also present suggestive evidence that scientists' use of these smaller models may be limiting them from getting the full benefits of AI-enabled science, as papers that use larger models appear in higher-impact journals and accrue more citations.

AI-assisted report generation offers the opportunity to reduce radiologists' workload stemming from expanded screening guidelines, complex cases and workforce shortages, while maintaining diagnostic accuracy. In addition to describing pathological findings in chest X-ray reports, interpreting lines and tubes (L&T) is demanding and repetitive for radiologists, especially with high patient volumes. We introduce MAIRA-X, a clinically evaluated multimodal AI model for longitudinal chest X-ray (CXR) report generation, that encompasses both clinical findings and L&T reporting. Developed using a large-scale, multi-site, longitudinal dataset of 3.1 million studies (comprising 6 million images from 806k patients) from Mayo Clinic, MAIRA-X was evaluated on three holdout datasets and the public MIMIC-CXR dataset, where it significantly improved AI-generated reports over the state of the art on lexical quality, clinical correctness, and L&T-related elements. A novel L&T-specific metrics framework was developed to assess accuracy in reporting attributes such as type, longitudinal change and placement. A first-of-its-kind retrospective user evaluation study was conducted with nine radiologists of varying experience, who blindly reviewed 600 studies from distinct subjects. The user study found comparable rates of critical errors (3.0% for original vs. 4.6% for AI-generated reports) and a similar rate of acceptable sentences (97.8% for original vs. 97.4% for AI-generated reports), marking a significant improvement over prior user studies with larger gaps and higher error rates. Our results suggest that MAIRA-X can effectively assist radiologists, particularly in high-volume clinical settings.

Fine-tuning large language models is essential for task-specific adaptation, yet it remains computationally prohibitive. Parameter-Efficient Fine-Tuning (PEFT) methods have emerged as a solution, but current approaches typically ignore the distinct roles of model components and the heterogeneous importance across layers, thereby limiting adaptation efficiency. Motivated by the observation that Rotary Position Embeddings (RoPE) induce critical activations in the low-frequency dimensions of attention states, we propose RoPE-aware Selective Adaptation (RoSA), a novel PEFT framework that allocates trainable parameters in a more targeted and effective manner. RoSA comprises a RoPE-aware Attention Enhancement (RoAE) module, which selectively enhances the low-frequency components of RoPE-influenced attention states, and a Dynamic Layer Selection (DLS) strategy that adaptively identifies and updates the most critical layers based on LayerNorm gradient norms. By combining dimension-wise enhancement with layer-wise adaptation, RoSA achieves more targeted and efficient fine-tuning. Extensive experiments on fifteen commonsense and arithmetic benchmarks demonstrate that RoSA outperforms existing mainstream PEFT methods under comparable trainable parameters.

Humor, as both a creative human activity and a social binding mechanism, has long posed a major challenge for AI generation. Although producing humor requires complex cognitive reasoning and social understanding, theories of humor suggest that it follows learnable patterns and structures, making it theoretically possible for generative models to acquire them implicitly. In recent years, multimodal humor has become a prevalent form of online communication, especially among Gen Z, highlighting the need for AI systems capable of integrating visual understanding with humorous language generation. However, existing data-driven approaches lack explicit modeling or theoretical grounding of humor, often producing literal descriptions that fail to capture its underlying cognitive mechanisms, resulting in the generated image descriptions that are fluent but lack genuine humor or cognitive depth. To address this limitation, we propose HUMORCHAIN (HUmor-guided Multi-step Orchestrated Reasoning Chain for Image Captioning), a theory-guided multi-stage reasoning framework. It integrates visual semantic parsing, humor- and psychology-based reasoning, and a fine-tuned discriminator for humor evaluation, forming an interpretable and controllable cognitive reasoning chain. To the best of our knowledge, this is the first work to explicitly embed cognitive structures from humor theories into multimodal humor generation, enabling a structured reasoning process from visual understanding to humor creation. Experiments on Meme-Image-No-Text, Oogiri-GO, and OxfordTVG-HIC datasets show that HUMORCHAIN outperforms state-of-the-art baselines in human humor preference, Elo/BT scores, and semantic diversity, demonstrating that theory-driven structured reasoning enables large language models to generate humor aligned with human perception.

We present the results of cognitive tests on conceptual combinations, performed using specific Large Language Models (LLMs) as test subjects. In the first test, performed with ChatGPT and Gemini, we show that Bell's inequalities are significantly violated, which indicates the presence of 'quantum entanglement' in the tested concepts. In the second test, also performed using ChatGPT and Gemini, we instead identify the presence of 'Bose-Einstein statistics', rather than the intuitively expected 'Maxwell-Boltzmann statistics', in the distribution of the words contained in large-size texts. Interestingly, these findings mirror the results previously obtained in both cognitive tests with human participants and information retrieval tests on large corpora. Taken together, they point to the 'systematic emergence of quantum structures in conceptual-linguistic domains', regardless of whether the cognitive agent is human or artificial. Although LLMs are classified as neural networks for historical reasons, we believe that a more essential form of knowledge organization takes place in the distributive semantic structure of vector spaces built on top of the neural network. It is this meaning-bearing structure that lends itself to a phenomenon of evolutionary convergence between human cognition and language, slowly established through biological evolution, and LLM cognition and language, emerging much more rapidly as a result of self-learning and training. We analyze various aspects and examples that contain evidence supporting the above hypothesis. We also advance a unifying framework that explains the pervasive quantum organization of meaning that we identify.