Interatomic potentials (IPs) with wide elemental coverage and high accuracy are powerful tools for high-throughput materials discovery. While the past few years witnessed the development of multiple new universal IPs that cover wide ranges of the periodic table, their applicability to target chemical systems should be carefully investigated. We benchmark several universal IPs using equilibrium zeolite structures as testbeds. We select a diverse set of universal IPs encompassing two major categories: (i) universal analytic IPs, including GFN-FF, UFF, and Dreiding; (ii) pretrained universal machine learning IPs (MLIPs), comprising CHGNet, ORB-v3, MatterSim, eSEN-30M-OAM, PFP-v7, and EquiformerV2-lE4-lF100-S2EFS-OC22. We compare them with established tailor-made IPs, SLC, ClayFF, and BSFF using experimental data and density functional theory (DFT) calculations with dispersion correction as the reference. The tested zeolite structures comprise pure silica frameworks and aluminosilicates containing copper species, potassium, and organic cations. We found that GFN-FF is the best among the tested universal analytic IPs, but it does not achieve satisfactory accuracy for highly strained silica rings and aluminosilicate systems. All MLIPs can well reproduce experimental or DFT-level geometries and energetics. Among the universal MLIPs, the eSEN-30M-OAM model shows the most consistent performance across all zeolite structures studied. These findings show that the modern pretrained universal MLIPs are practical tools in zeolite screening workflows involving various compositions.

Robotic chemists promise to both liberate human experts from repetitive tasks and accelerate scientific discovery, yet remain in their infancy. Chemical experiments involve long-horizon procedures over hazardous and deformable substances, where success requires not only task completion but also strict compliance with experimental norms. To address these challenges, we propose \textit{RoboChemist}, a dual-loop framework that integrates Vision-Language Models (VLMs) with Vision-Language-Action (VLA) models. Unlike prior VLM-based systems (e.g., VoxPoser, ReKep) that rely on depth perception and struggle with transparent labware, and existing VLA systems (e.g., RDT, pi0) that lack semantic-level feedback for complex tasks, our method leverages a VLM to serve as (1) a planner to decompose tasks into primitive actions, (2) a visual prompt generator to guide VLA models, and (3) a monitor to assess task success and regulatory compliance. Notably, we introduce a VLA interface that accepts image-based visual targets from the VLM, enabling precise, goal-conditioned control. Our system successfully executes both primitive actions and complete multi-step chemistry protocols. Results show 23.57% higher average success rate and a 0.298 average increase in compliance rate over state-of-the-art VLA baselines, while also demonstrating strong generalization to objects and tasks.

The suspect in Charlie Kirk's assassination has been captured, FBI director Kash Patel announced MSNBC sparks outrage for'disgusting' Charlie Kirk comments following Utah shooting Tragedy as Charlie Kirk's wife left behind with two young children after conservative activist is fatally shot A DEI mayor, an inconvenient crime and video they never wanted you to see: MAUREEN CALLAHAN knows why the Left has sympathy for that killer... but none for his victim Sweater weather starts here - the cozy, chic pieces from Soft Surroundings you'll actually wear all season We only had one symptom we dismissed... but then we were diagnosed with the rarest form of melanoma Soft-touch prosecutor let felon walk free... before crook'slit Auburn professor's throat in random attack' I tried the 30 cent'miracle chill pill' before a big event.. now I'm taking it for everything Donald Trump and House Republicans lead prayers for Charlie Kirk's family after conservative star is fatally shot Prince Harry says his father King Charles is'great' following their first meeting in 19 months... which was over a cup of tea and just 55 minutes long Liberal media defends thug who killed Ukrainian woman in cold blood: 'This man was hurting' Knifeman accused of stabbing Ukrainian refugee to death gives chilling reason for the attack... as he speaks for the first time from jail on the murder that shocked America Fox News reveals new lineup and elevates star White House reporter who's sparred with Trump Horrific new details of passenger injuries after they were'thrown' around Delta flight during'severe turbulence' Scientists are finally learning what's inside mysterious'halo' barrels submerged off US coast Scientists are just beginning to learn what is inside thousands of mysterious'halo' barrels submerged off the US coast. The barrels were discovered in the deep waters of the San Pedro Basin, near Los Angeles, in 2021. Scientists were initially worried that the barrels could contain DDT, a toxic pesticide that was banned in 1972 due to its serious environmental and health impact. However, a new study now shows that the barrels contain an unknown caustic alkali waste, which is creating eerie halos as it leaches into the sea floor. Using the remotely operated vehicle (ROV) SuBastian, the researchers carefully collected samples at a set distance from barrels with halos.

Context. Code refactoring improves software quality without changing external behavior. Despite its advantages, its benefits are hindered by the considerable cost of time, resources, and continuous effort it demands. Aim. Understanding why developers refactor, and which metrics capture these motivations, may support wider and more effective use of refactoring in practice. Method. We performed a large-scale empirical study to analyze developers refactoring activity, leveraging Large Language Models (LLMs) to identify underlying motivations from version control data, comparing our findings with previous motivations reported in the literature. Results. LLMs matched human judgment in 80% of cases, but aligned with literature-based motivations in only 47%. They enriched 22% of motivations with more detailed rationale, often highlighting readability, clarity, and structural improvements. Most motivations were pragmatic, focused on simplification and maintainability. While metrics related to developer experience and code readability ranked highest, their correlation with motivation categories was weak. Conclusions. We conclude that LLMs effectively capture surface-level motivations but struggle with architectural reasoning. Their value lies in providing localized explanations, which, when combined with software metrics, can form hybrid approaches. Such integration offers a promising path toward prioritizing refactoring more systematically and balancing short-term improvements with long-term architectural goals.

London-listed miner Anglo American and Canada's Teck Resources plan to merge, marking the sector's second-biggest mergers and acquisitions deal ever and forging a new global copper-focused heavyweight. Under the proposed deal, which will require regulatory approvals and was announced on Tuesday, Anglo American shareholders will own 62.4 percent of the new company, Anglo Teck, while shareholders in Teck would hold 37.6 percent. The deal to form the world's fifth-largest copper company is also a big bet on copper by Anglo. Glencore's $90bn merger with Xstrata in 2013 remains the largest mining deal in history. Copper, used in the power and construction sectors, is set to benefit from burgeoning demand spurred by electric vehicles and artificial intelligence.

The field of human activity recognition has evolved significantly, driven largely by advancements in Internet of Things (IoT) device technology, particularly in personal devices. This study investigates the use of ultra-wideband (UWB) technology for tracking inhabitant paths in home environments using deep learning models. UWB technology estimates user locations via time-of-flight and time-difference-of-arrival methods, which are significantly affected by the presence of walls and obstacles in real environments, reducing their precision. To address these challenges, we propose a fingerprinting-based approach utilizing received signal strength indicator (RSSI) data collected from inhabitants in two flats (60 m2 and 100 m2) while performing daily activities. We compare the performance of convolutional neural network (CNN), long short-term memory (LSTM), and hybrid CNN+LSTM models, as well as the use of Bluetooth technology. Additionally, we evaluate the impact of the type and duration of the temporal window (future, past, or a combination of both). Our results demonstrate a mean absolute error close to 50 cm, highlighting the superiority of the hybrid model in providing accurate location estimates, thus facilitating its application in daily human activity recognition in residential settings.

The reliable identification of magnetic ground states remains a major challenge in high-throughput materials databases, where density functional theory (DFT) workflows often converge to ferromagnetic (FM) solutions. Here, we partially address this challenge by developing machine learning classifiers trained on experimentally validated MAGNDATA magnetic materials leveraging a limited number of simple compositional, structural, and electronic descriptors sourced from the Materials Project database. Our propagation vector classifiers achieve accuracies above 92%, outperforming recent studies in reliably distinguishing zero from nonzero propagation vector structures, and exposing a systematic ferromagnetic bias inherent to the Materials Project database for more than 7,843 materials. In parallel, LightGBM and XGBoost models trained directly on the Materials Project labels achieve accuracies of 84-86% (with macro F1 average scores of 63-66%), which proves useful for large-scale screening for magnetic classes, if refined by MAGNDATA-trained classifiers. These results underscore the role of machine learning techniques as corrective and exploratory tools, enabling more trustworthy databases and accelerating progress toward the identification of materials with various properties.

We introduce SasAgent, a multi-agent AI system powered by large language models (LLMs) that automates small-angle scattering (SAS) data analysis by leveraging tools from the SasView software and enables user interaction via text input. SasAgent features a coordinator agent that interprets user prompts and delegates tasks to three specialized agents for scattering length density (SLD) calculation, synthetic data generation, and experimental data fitting. These agents utilize LLM-friendly tools to execute tasks efficiently. These tools, including the model data tool, Retrieval-Augmented Generation (RAG) documentation tool, bump fitting tool, and SLD calculator tool, are derived from the SasView Python library. A user-friendly Gradio-based interface enhances user accessibility. Through diverse examples, we demonstrate SasAgent's ability to interpret complex prompts, calculate SLDs, generate accurate scattering data, and fit experimental datasets with high precision. This work showcases the potential of LLM-driven AI systems to streamline scientific workflows and enhance automation in SAS research.

As the particle physics community needs higher and higher precisions in order to test our current model of the subatomic world, larger and larger datasets are necessary. With upgrades scheduled for the detectors of colliding-beam experiments around the world, and specifically at the Large Hadron Collider at CERN, more collisions and more complex interactions are expected. This directly implies an increase in data produced and consequently in the computational resources needed to process them. At CERN, the amount of data produced is gargantuan. This is why the data have to be heavily filtered and selected in real time before being permanently stored. This data can then be used to perform physics analyses, in order to expand our current understanding of the universe and improve the Standard Model of physics. This real-time filtering, known as triggering, involves complex processing happening often at frequencies as high as 40 MHz. This thesis contributes to understanding how machine learning models can be efficiently deployed in such environments, in order to maximize throughput and minimize energy consumption. Inevitably, modern hardware designed for such tasks and contemporary algorithms are needed in order to meet the challenges posed by the stringent, high-frequency data rates. In this work, I present our graph neural network-based pipeline, developed for charged particle track reconstruction at the LHCb experiment at CERN. The pipeline was implemented end-to-end inside LHCb's first-level trigger, entirely on GPUs. Its performance was compared against the classical tracking algorithms currently in production at LHCb. The pipeline was also accelerated on the FPGA architecture, and its performance in terms of power consumption and processing speed was compared against the GPU implementation.

In serial batch (s-batch) scheduling, jobs are grouped in batches and processed sequentially within their batch. This paper considers multiple parallel machines, nonidentical job weights and release times, and sequence-dependent setup times between batches of different families. Although s-batch has been widely studied in the literature, very few papers have taken into account a minimum batch size, typical in practical settings such as semiconductor manufacturing and the metal industry. The problem with this minimum batch size requirement has been mostly tackled with dynamic programming and meta-heuristics, and no article has ever used constraint programming (CP) to do so. This paper fills this gap by proposing, three CP models for s-batching with minimum batch size: (i) an Interval Assignment model that computes and bounds the size of the batches using the presence literals of interval variables of the jobs. The computational experiments on standard cases compare the three CP models with two existing mixed-integer programming (MIP) models from the literature. The results demonstrate the versatility of the proposed CP models to handle multiple variations of s-batching; and their ability to produce, in large instances, better solutions than the MIP models faster. Introduction In the current and highly competitive landscape of the manufacturing industry, companies are under growing pressure to minimize production costs and reduce cycle times. One effective strategy to improve efficiency is to process similar tasks, called jobs, together in groups known as batches [1]. There are two main ways to process these batches. In parallel batching (p-batch), all jobs in a batch are processed simultaneously [2]. In contrast, in serial batching (s-batch), jobs in a batch are processed sequentially one after another [3]. The benefits of p-batching are obvious since it saves time by processing multiple jobs at once. Similarly, s-batching is especially useful when grouping similar jobs can prevent repetitive machine setups, which are time-consuming and costly [4]. Serial batching appears in many industries, including metal processing [5], additive manufacturing (3D printing) [5, 6], paint [7] and pharmaceutical production [8], chemical manufacturing [9], and semiconductor manufacturing [10, 11].