The injection molding industry faces critical challenges in preserving and transferring field knowledge, particularly as experienced workers retire and multilingual barriers hinder effective communication. This study introduces IM-Chat, a multi-agent framework based on large language models (LLMs), designed to facilitate knowledge transfer in injection molding. IM-Chat integrates both limited documented knowledge (e.g., troubleshooting tables, manuals) and extensive field data modeled through a data-driven process condition generator that infers optimal manufacturing settings from environmental inputs such as temperature and humidity, enabling robust and context-aware task resolution. By adopting a retrieval-augmented generation (RAG) strategy and tool-calling agents within a modular architecture, IM-Chat ensures adaptability without the need for fine-tuning. Performance was assessed across 100 single-tool and 60 hybrid tasks for GPT-4o, GPT-4o-mini, and GPT-3.5-turbo by domain experts using a 10-point rubric focused on relevance and correctness, and was further supplemented by automated evaluation using GPT-4o guided by a domain-adapted instruction prompt. The evaluation results indicate that more capable models tend to achieve higher accuracy, particularly in complex, tool-integrated scenarios. In addition, compared with the fine-tuned single-agent LLM, IM-Chat demonstrated superior accuracy, particularly in quantitative reasoning, and greater scalability in handling multiple information sources. Overall, these findings demonstrate the viability of multi-agent LLM systems for industrial knowledge workflows and establish IM-Chat as a scalable and generalizable approach to AI-assisted decision support in manufacturing.

Large Language Models (LLMs) exhibit strong but shallow alignment: they directly refuse harmful queries when a refusal is expected at the very start of an assistant turn, yet this protection collapses once a harmful continuation is underway (either through the adversarial attacks or via harmful assistant-prefill attacks). This raises a fundamental question: Can the innate shallow alignment in LLMs be unlocked to ensure safety at arbitrary generation depths? To achieve this goal, we propose Any-Depth Alignment (ADA), an effective inference-time defense with negligible overhead. ADA is built based on our observation that alignment is concentrated in the assistant header tokens through repeated use in shallow-refusal training, and these tokens possess the model's strong alignment priors. By reintroducing these tokens mid-stream, ADA induces the model to reassess harmfulness and recover refusals at any point in generation. Across diverse open-source model families (Llama, Gemma, Mistral, Qwen, DeepSeek, and gpt-oss), ADA achieves robust safety performance without requiring any changes to the base model's parameters. It secures a near-100% refusal rate against challenging adversarial prefill attacks ranging from dozens to thousands of tokens. Furthermore, ADA reduces the average success rate of prominent adversarial prompt attacks (such as GCG, AutoDAN, PAIR, and TAP) to below 3%. This is all accomplished while preserving utility on benign tasks with minimal over-refusal. ADA maintains this resilience even after the base model undergoes subsequent instruction tuning (benign or adversarial).

The red palm mite infestation has become a serious concern, particularly in regions with extensive palm cultivation, leading to reduced productivity and economic losses. Accurate and early identification of mite-infested plants is critical for effective management. The current study focuses on evaluating and comparing the ML model for classifying the affected plants and detecting the infestation. TriggerNet is a novel interpretable AI framework that integrates Grad-CAM, RISE, FullGrad, and TCAV to generate novel visual explanations for deep learning models in plant classification and disease detection. This study applies TriggerNet to address red palm mite (Raoiella indica) infestation, a major threat to palm cultivation and agricultural productivity. A diverse set of RGB images across 11 plant species, Arecanut, Date Palm, Bird of Paradise, Coconut Palm, Ginger, Citrus Tree, Palm Oil, Orchid, Banana Palm, Avocado Tree, and Cast Iron Plant was utilized for training and evaluation. Advanced deep learning models like CNN, EfficientNet, MobileNet, ViT, ResNet50, and InceptionV3, alongside machine learning classifiers such as Random Forest, SVM, and KNN, were employed for plant classification. For disease classification, all plants were categorized into four classes: Healthy, Yellow Spots, Reddish Bronzing, and Silk Webbing. Snorkel was used to efficiently label these disease classes by leveraging heuristic rules and patterns, reducing manual annotation time and improving dataset reliability.

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.

The pretraining-finetuning paradigm has powered major advances in domains such as natural language processing and computer vision, with representative examples including masked language modeling and next-token prediction. In molecular representation learning, however, pretraining tasks remain largely restricted to node-level denois-ing, which effectively captures local atomic environments but is often insufficient for encoding the global molecular structure critical to graph-level property prediction tasks such as energy estimation and molecular regression. To address this gap, we introduce Geo-Recon, a graph-level pretraining framework that shifts the focus from individual atoms to the molecule as an integrated whole. GeoRe-con formulates a graph-level reconstruction task: during pretraining, the model is trained to produce an informative graph representation that guides geometry reconstruction while inducing smoother and more transferable latent spaces. This encourages the learning of coherent, global structural features beyond isolated atomic details. Without relying on external supervision, GeoRecon achieves generally improves over backbones baselines on multiple molecular benchmarks including QM9, MD17, MD22, and 3BPA, demonstrating the effectiveness of graph-level reconstruction for holistic and geometry-aware molecular embeddings.

Undetected anomalies in time series can trigger catastrophic failures in safety-critical systems, such as chemical plant explosions or power grid outages. Although many detection methods have been proposed, their performance remains unclear because current metrics capture only narrow aspects of the task and often yield misleading results. We address this issue by introducing verifiable properties that formalize essential requirements for evaluating time-series anomaly detection. These properties enable a theoretical framework that supports principled evaluations and reliable comparisons. Analyzing 37 widely used metrics, we show that most satisfy only a few properties, and none satisfy all, explaining persistent inconsistencies in prior results. To close this gap, we propose LARM, a flexible metric that provably satisfies all properties, and extend it to ALARM, an advanced variant meeting stricter requirements.

Understanding user behavior on the web is increasingly critical for optimizing user experience (UX). This study introduces Augmented Web Usage Mining (AWUM), a methodology designed to enhance web usage mining and improve UX by enriching the interaction data provided by CAWAL (Combined Application Log and Web Analytics), a framework for advanced web analytics. Over 1.2 million session records collected in one month (~8.5GB of data) were processed and transformed into enriched datasets. AWUM analyzes session structures, page requests, service interactions, and exit methods. Results show that 87.16% of sessions involved multiple pages, contributing 98.05% of total pageviews; 40% of users accessed various services and 50% opted for secure exits. Association rule mining revealed patterns of frequently accessed services, highlighting CAWAL's precision and efficiency over conventional methods. AWUM offers a comprehensive understanding of user behavior and strong potential for large-scale UX optimization.

The rapid evolution of molecular dynamics (MD) methods, including machine-learned dynamics, has outpaced the development of standardized tools for method validation. Objective comparison between simulation approaches is often hindered by inconsistent evaluation metrics, insufficient sampling of rare conformational states, and the absence of reproducible benchmarks. To address these challenges, we introduce a modular benchmarking framework that systematically evaluates protein MD methods using enhanced sampling analysis. Our approach uses weighted ensemble (WE) sampling via The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis (WESTPA), based on progress coordinates derived from Time-lagged Independent Component Analysis (TICA), enabling fast and efficient exploration of protein conformational space. The framework includes a flexible, lightweight propagator interface that supports arbitrary simulation engines, allowing both classical force fields and machine learning-based models. Additionally, the framework offers a comprehensive evaluation suite capable of computing more than 19 different metrics and visualizations across a variety of domains. We further contribute a dataset of nine diverse proteins, ranging from 10 to 224 residues, that span a variety of folding complexities and topologies. Each protein has been extensively simulated at 300K for one million MD steps per starting point (4 ns). To demonstrate the utility of our framework, we perform validation tests using classic MD simulations with implicit solvent and compare protein conformational sampling using a fully trained versus under-trained CGSchNet model. By standardizing evaluation protocols and enabling direct, reproducible comparisons across MD approaches, our open-source platform lays the groundwork for consistent, rigorous benchmarking across the molecular simulation community.

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

China's rare earth restrictions aim to beat U.S. at its own game Magnetic slices made from rare earth metals. Beijing last week announced a sweeping set of rules that are set to restrict the flow of rare earths worldwide. WASHINGTON - Over the past three years, Washington has claimed broad power to impose global rules that bar companies anywhere in the world from sending cutting-edge computer chips or the tools needed to make them to China. U.S. officials have argued that approach is necessary to make sure China does not gain the upper hand in the race for advanced artificial intelligence. But a sweeping set of restrictions announced by Beijing last week showed that two can play that game.