Air pollution is the world's largest environmental risk factor for human disease and premature death, resulting in more than 6 million permature deaths in 2019. Currently, there is still a challenge to model one of the most important air pollutants, surface ozone, particularly at scales relevant for human health impacts, with the drivers of global ozone trends at these scales largely unknown, limiting the practical use of physics-based models. We employ a 2D Convolutional Neural Network based architecture that estimate surface ozone MOMO-Chem model residuals, referred to as model bias. We demonstrate the potential of this technique in North America and Europe, highlighting its ability better to capture physical model residuals compared to a traditional machine learning method. We assess the impact of incorporating land use information from high-resolution satellite imagery to improve model estimates. Importantly, we discuss how our results can improve our scientific understanding of the factors impacting ozone bias at urban scales that can be used to improve environmental policy.

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction outcomes and even instruct robots that execute experiments without human supervision. Here we survey the milestones that turned LLMs from speculative tools into practical lab partners. We show how coupling LLMs with graph neural networks, quantum calculations and real-time spectroscopy shrinks discovery cycles and supports greener, data-driven chemistry. We discuss limitations, including biased datasets, opaque reasoning and the need for safety gates that prevent unintentional hazards. Finally, we outline community initiatives open benchmarks, federated learning and explainable interfaces that aim to democratize access while keeping humans firmly in control. These advances chart a path towards rapid, reliable and inclusive molecular innovation powered by artificial intelligence and automation.

This story was originally published by the Guardian and is reproduced here as part of the Climate Desk collaboration. Chemical pollution is "a threat to the thriving of humans and nature of a similar order as climate change" but decades behind global heating in terms of public awareness and action, a report has warned. The industrial economy has created more than 100 million "novel entities," or chemicals not found in nature, with somewhere between 40,000 and 350,000 in commercial use and production, the report says. But the environmental and human health effects of this widespread contamination of the biosphere are not widely appreciated, in spite of a growing body of evidence linking chemical toxicity with effects ranging from ADHD to infertility to cancer. "I suppose that's the biggest surprise for some people," Harry Macpherson, senior climate associate at Deep Science Ventures (DSV), which carried out the research, told the Guardian.

Distance-based classifiers, such as k-nearest neighbors and support vector machines, continue to be a workhorse of machine learning, widely used in science and industry. In practice, to derive insights from these models, it is also important to ensure that their predictions are explainable. While the field of Explainable AI has supplied methods that are in principle applicable to any model, it has also emphasized the usefulness of latent structures (e.g. the sequence of layers in a neural network) to produce explanations. In this paper, we contribute by uncovering a hidden neural network structure in distance-based classifiers (consisting of linear detection units combined with nonlinear pooling layers) upon which Explainable AI techniques such as layer-wise relevance propagation (LRP) become applicable. Through quantitative evaluations, we demonstrate the advantage of our novel explanation approach over several baselines. We also show the overall usefulness of explaining distance-based models through two practical use cases.

Neural Radiance Field (NeRF)-based segmentation methods focus on object semantics and rely solely on RGB data, lacking intrinsic material properties. This limitation restricts accurate material perception, which is crucial for robotics, augmented reality, simulation, and other applications. W e introduce UnMix-NeRF, a framework that integrates spectral unmixing into NeRF, enabling joint hy-perspectral novel view synthesis and unsupervised material segmentation. Our method models spectral reflectance via diffuse and specular components, where a learned dictionary of global endmembers represents pure material signatures, and per-point abundances capture their distribution. F or material segmentation, we use spectral signature predictions along learned endmembers, allowing unsupervised material clustering. Additionally, UnMix-NeRF enables scene editing by modifying learned endmember dictionaries for flexible material-based appearance manipulation.

The segmentation of forest LiDAR 3D point clouds, including both individual tree and semantic segmentation, is fundamental for advancing forest management and ecological research. However, current approaches often struggle with the complexity and variability of natural forest environments. We present ForestFormer3D, a new unified and end-to-end framework designed for precise individual tree and semantic segmentation. ForestFormer3D incorporates ISA-guided query point selection, a score-based block merging strategy during inference, and a one-to-many association mechanism for effective training. By combining these new components, our model achieves state-of-the-art performance for individual tree segmentation on the newly introduced FOR-instanceV2 dataset, which spans diverse forest types and regions. Additionally, ForestFormer3D generalizes well to unseen test sets (Wytham woods and LAUTx), showcasing its robustness across different forest conditions and sensor modalities. The FOR-instanceV2 dataset and the ForestFormer3D code are publicly available at https://bxiang233.github.io/FF3D/.

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated a fully automated pipeline, verified by subject matter experts, to facilitate this task. Our approach integrates OpenAI reasoning models with named entity recognition (NER) systems to extract chemical entities from recent literature, which are then augmented with external knowledge bases to form a comprehensive knowledge graph. By generating multi-hop questions across these graphs, we assess LLM performance in both context-augmented and non-context augmented settings. Our experiments reveal that even state-of-the-art models face significant challenges in multi-hop compositional reasoning. The results reflect the importance of augmenting LLMs with document retrieval, which can have a substantial impact on improving their performance. However, even perfect retrieval accuracy with full context does not eliminate reasoning errors, underscoring the complexity of compositional reasoning. This work not only benchmarks and highlights the limitations of current LLMs but also presents a novel data generation pipeline capable of producing challenging reasoning datasets across various domains. Overall, this research advances our understanding of reasoning in computational linguistics.

Jailbreaking -- bypassing built-in safety mechanisms in AI models -- has traditionally required complex technical procedures or specialized human expertise. In this study, we show that the persuasive capabilities of large reasoning models (LRMs) simplify and scale jailbreaking, converting it into an inexpensive activity accessible to non-experts. We evaluated the capabilities of four LRMs (DeepSeek-R1, Gemini 2.5 Flash, Grok 3 Mini, Qwen3 235B) to act as autonomous adversaries conducting multi-turn conversations with nine widely used target models. LRMs received instructions via a system prompt, before proceeding to planning and executing jailbreaks with no further supervision. We performed extensive experiments with a benchmark of harmful prompts composed of 70 items covering seven sensitive domains. This setup yielded an overall attack success rate across all model combinations of 97.14%. Our study reveals an alignment regression, in which LRMs can systematically erode the safety guardrails of other models, highlighting the urgent need to further align frontier models not only to resist jailbreak attempts, but also to prevent them from being co-opted into acting as jailbreak agents.

We address the challenge of multi-robot autonomous hazard mapping in high-risk, failure-prone, communication-denied environments such as post-disaster zones, underground mines, caves, and planetary surfaces. In these missions, robots must explore and map hazards while minimizing the risk of failure due to environmental threats or hardware limitations. We introduce a behavior-adaptive, information-theoretic planning framework for multi-robot teams grounded in the concept of Behavioral Entropy (BE), that generalizes Shannon entropy (SE) to capture diverse human-like uncertainty evaluations. Building on this formulation, we propose the Behavior-Adaptive Path Planning (BAPP) framework, which modulates information gathering strategies via a tunable risk-sensitivity parameter, and present two planning algorithms: BAPP-TID for intelligent triggering of high-fidelity robots, and BAPP-SIG for safe deployment under high risk. We provide theoretical insights on the informativeness of the proposed BAPP framework and validate its effectiveness through both single-robot and multi-robot simulations. Our results show that the BAPP stack consistently outperforms Shannon-based and random strategies: BAPP-TID accelerates entropy reduction, while BAPP-SIG improves robot survivability with minimal loss in information gain. In multi-agent deployments, BAPP scales effectively through spatial partitioning, mobile base relocation, and role-aware heterogeneity. These findings underscore the value of behavior-adaptive planning for robust, risk-sensitive exploration in complex, failure-prone environments.

Hyperspectral imaging offers detailed spectral information for mineral mapping; however, weak mineral signatures are often masked by noisy and redundant bands, limiting detection performance. To address this, we propose a two-stage integrated framework for enhanced mineral detection in the Cuprite mining district. In the first stage, we compute the signal-to-noise ratio (SNR) for each spectral band and apply a phase-locked thresholding technique to discard low-SNR bands, effectively removing redundancy and suppressing background noise. Savitzky-Golay filtering is then employed for spectral smoothing, serving a dual role first to stabilize trends during band selection, and second to preserve fine-grained spectral features during preprocessing. In the second stage, the refined HSI data is reintroduced into the model, where KMeans clustering is used to extract 12 endmember spectra (W1 custom), followed by non negative least squares (NNLS) for abundance unmixing. The resulting endmembers are quantitatively compared with laboratory spectra (W1 raw) using cosine similarity and RMSE metrics. Experimental results confirm that our proposed pipeline improves unmixing accuracy and enhances the detection of weak mineral zones. This two-pass strategy demonstrates a practical and reproducible solution for spectral dimensionality reduction and unmixing in geological HSI applications.