Chemical reaction mechanisms provide crucial insight into synthesizability, yet current Computer-Assisted Synthesis Planning (CASP) systems lack mechanistic grounding. We introduce a computational framework for teaching language models to predict chemical reaction mechanisms through arrow pushing formalism, a century-old notation that tracks electron flow while respecting conservation laws. We developed MechSMILES, a compact textual format encoding molecular structure and electron flow, and trained language models on four mechanism prediction tasks of increasing complexity using mechanistic reaction datasets, such as mech-USPTO-31k and FlowER. Our models achieve more than 95\% top-3 accuracy on elementary step prediction and scores that surpass 73\% on mech-USPTO-31k, and 93\% on FlowER dataset for the retrieval of complete reaction mechanisms on our hardest task. This mechanistic understanding enables three key applications. First, our models serve as post-hoc validators for CASP systems, filtering chemically implausible transformations. Second, they enable holistic atom-to-atom mapping that tracks all atoms, including hydrogens. Third, they extract catalyst-aware reaction templates that distinguish recycled catalysts from spectator species. By grounding predictions in physically meaningful electron moves that ensure conservation of mass and charge, this work provides a pathway toward more explainable and chemically valid computational synthesis planning, while providing an architecture-agnostic framework for the benchmarking of mechanism prediction.

Retrosynthesis prediction aims to infer the reactant molecule based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing models rely on static pattern-matching paradigm, which limits their ability to perform effective logic decision-making, leading to black-box decision-making. Building on this, we propose Retro-Expert, an interpretable retrosyn-thesis framework that performs collaborative reasoning by combining the complementary reasoning strengths of Large Language Models and specialized models via reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models analyze the product to construct high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions and corresponding interpretable reasoning path, and (3) reinforcement learning optimizing interpretable decision policy. Experiments show that Retro-Expert not only surpasses both LLM-based and specialized models across different metrics but also provides expert-aligned explanations that bridge the gap between AI predictions and actionable chemical insights.

One of the first studies of its kind also showed mining's stark effects on the abyssal plain. Breakthroughs, discoveries, and DIY tips sent every weekday. Researchers completing one of the largest impact studies on the potential environmental impacts of deep-sea mining found a bit more than they bargained for on the ocean floor: 4,350 animals, each at least larger than 0.3 millimeters. From these, they ultimately identified 788 separate species of unique crustaceans, mollusks, marine bristle worms, and other creatures living in this sought after mining zone. While the team found that harvesting rare earth metals from over 13,000 feet below the ocean's surface may not be as destructive as initially theorized, the disruptions are still cause for serious concerns.

When you purchase through links in our articles, we may earn a small commission. I hope Crucial's death isn't a canary in a PC memory coal mine I'm now wondering what comes next. I did not have "Micron kills its consumer business" on my 2025 bingo card. The company announced the shuttering of its Crucial brand on Wednesday morning in unexpectedly simple, transparent language . The short version: Micron is concentrating on their business customers, where the demand has "surged" for memory and storage--thanks to data centers and their scaling up for AI.

Recent advances in large multimodal models have enabled new opportunities in embodied AI, particularly in robotic manipulation. These models have shown strong potential in generalization and reasoning, but achieving reliable and responsible robotic behavior in real-world settings remains an open challenge. In high-stakes environments, robotic agents must go beyond basic task execution to perform risk-aware reasoning, moral decision-making, and physically grounded planning. We introduce ResponsibleRobotBench, a systematic benchmark designed to evaluate and accelerate progress in responsible robotic manipulation from simulation to real world. This benchmark consists of 23 multi-stage tasks spanning diverse risk types, including electrical, chemical, and human-related hazards, and varying levels of physical and planning complexity. These tasks require agents to detect and mitigate risks, reason about safety, plan sequences of actions, and engage human assistance when necessary. Our benchmark includes a general-purpose evaluation framework that supports multimodal model-based agents with various action representation modalities. The framework integrates visual perception, context learning, prompt construction, hazard detection, reasoning and planning, and physical execution. It also provides a rich multimodal dataset, supports reproducible experiments, and includes standardized metrics such as success rate, safety rate, and safe success rate. Through extensive experimental setups, ResponsibleRobotBench enables analysis across risk categories, task types, and agent configurations. By emphasizing physical reliability, generalization, and safety in decision-making, this benchmark provides a foundation for advancing the development of trustworthy, real-world responsible dexterous robotic systems. https://sites.google.com/view/responsible-robotbench

As computational demands continue to rise, assessing the environmental footprint of AI requires moving beyond energy and water consumption to include the material demands of specialized hardware. This study quantifies the material footprint of AI training by linking computational workloads to physical hardware needs. The elemental composition of the Nvidia A100 SXM 40 GB graphics processing unit (GPU) was analyzed using inductively coupled plasma optical emission spectroscopy, which identified 32 elements. The results show that AI hardware consists of about 90% heavy metals and only trace amounts of precious metals. The elements copper, iron, tin, silicon, and nickel dominate the GPU composition by mass. In a multi-step methodology, we integrate these measurements with computational throughput per GPU across varying lifespans, accounting for the computational requirements of training specific AI models at different training efficiency regimes. Scenario-based analyses reveal that, depending on Model FLOPs Utilization (MFU) and hardware lifespan, training GPT-4 requires between 1,174 and 8,800 A100 GPUs, corresponding to the extraction and eventual disposal of up to 7 tons of toxic elements. Combined software and hardware optimization strategies can reduce material demands: increasing MFU from 20% to 60% lowers GPU requirements by 67%, while extending lifespan from 1 to 3 years yields comparable savings; implementing both measures together reduces GPU needs by up to 93%. Our findings highlight that incremental performance gains, such as those observed between GPT-3.5 and GPT-4, come at disproportionately high material costs. The study underscores the necessity of incorporating material resource considerations into discussions of AI scalability, emphasizing that future progress in AI must align with principles of resource efficiency and environmental responsibility.

This study examined how AI-generated summaries, which have become visually prominent in online search results, affect how users think about different issues. In a preregistered randomized controlled experiment, participants (N = 2,004) viewed mock search result pages varying in the presence (vs. absence), placement (top vs. middle), and stance (benefit-framed vs. harm-framed) of AI-generated summaries across four publicly debated topics. Compared to a no-summary control group, participants exposed to AI-generated summaries reported issue attitudes, behavioral intentions, and policy support that aligned more closely with the AI summary stance. The summaries placed at the top of the page produced stronger shifts in users' issue attitudes (but not behavioral intentions or policy support) than those placed at the middle of the page. We also observed moderating effects from issue familiarity and general trust toward AI. In addition, users perceived the AI summaries more useful when it emphasized health harms versus benefits. These findings suggest that AI-generated search summaries can significantly shape public perceptions, raising important implications for the design and regulation of AI-integrated information ecosystems.

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering, restricting their generalizability. Large language models (LLMs) offer a new paradigm by leveraging their pretrained knowledge and universal token-based representations to propose experiments directly from text-based descriptions. Here, we introduce an LLM-based active learning framework (LLM-AL) that operates in an iterative few-shot setting and benchmark it against conventional ML models across four diverse materials science datasets. We explored two prompting strategies: one using concise numerical inputs suited for datasets with more compositional and structured features, and another using expanded descriptive text suited for datasets with more experimental and procedural features to provide additional context. Across all datasets, LLM-AL could reduce the number of experiments needed to reach top-performing candidates by over 70% and consistently outperformed traditional ML models. We found that LLM-AL performs broader and more exploratory searches while still reaching the optima with fewer iterations. We further examined the stability boundaries of LLM-AL given the inherent non-determinism of LLMs and found its performance to be broadly consistent across runs, within the variability range typically observed for traditional ML approaches. These results demonstrate that LLM-AL can serve as a generalizable alternative to conventional AL pipelines for more efficient and interpretable experiment selection and potential LLM-driven autonomous discovery.

Reliable real-time analysis of sensor data is essential for structural health monitoring (SHM) of high-value assets, yet a major challenge is to obtain spatially resolved full-field aleatoric and epistemic uncertainties for trustworthy decision-making. We present an integrated SHM framework that combines principal component analysis (PCA), a Bayesian neural network (BNN), and Hamiltonian Monte Carlo (HMC) inference, mapping sparse strain gauge measurements onto leading PCA modes to reconstruct full-field strain distributions with uncertainty quantification. The framework was validated through cyclic four-point bending tests on carbon fiber reinforced polymer (CFRP) specimens with varying crack lengths, achieving accurate strain field reconstruction (R squared value > 0.9) while simultaneously producing real-time uncertainty fields. A key contribution is that the BNN yields robust full-field strain reconstructions from noisy experimental data with crack-induced strain singularities, while also providing explicit representations of two complementary uncertainty fields. Considered jointly in full-field form, the aleatoric and epistemic uncertainty fields make it possible to diagnose at a local level, whether low-confidence regions are driven by data-inherent issues or by model-related limitations, thereby supporting reliable decision-making. Collectively, the results demonstrate that the proposed framework advances SHM toward trustworthy digital twin deployment and risk-aware structural diagnostics.

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles data and digital twin applications for optimizing manufacturing processes. However, applying general-purpose ML frameworks to complex industrial materials such as steel remains a challenge. A key obstacle is accurately capturing the intricate relationship between chemical composition, processing parameters, and the resulting microstructure and properties. To address this, we introduce a computational framework that combines physical insights with ML to develop a physics-informed continuous cooling transformation (CCT) model for steels. Our model, trained on a dataset of 4,100 diagrams, is validated against literature and experimental data. It demonstrates high computational efficiency, generating complete CCT diagrams with 100 cooling curves in under 5 seconds. It also shows strong generalizability across alloy steels, achieving phase classification F1 scores above 88% for all phases. For phase transition temperature regression, it attains mean absolute errors (MAE) below 20 °C across all phases except bainite, which shows a slightly higher MAE of 27 °C. This framework can be extended with additional generic and customized ML models to establish a universal digital twin platform for heat treatment. Integration with complementary simulation tools and targeted experiments will further support accelerated materials design workflows.