We present a systematic, reproducible benchmark comparing quantum and classical machine learning models for BDE prediction using a chemically curated feature set encompassing atomic properties (atomic numbers, hybridization), bond characteristics (bond order, type), and local environmental descriptors. Our quantum framework, implemented in Qiskit Aer on six qubits, employs ZZFeatureMap encodings with variational ans atz (RealAmplitudes) across multiple architectures V ariational Quantum Regressors (VQR), Quantum Support V ector Regressors (QSVR), Quantum Neural Networks (QNN), Quantum Convolutional Neural Networks (QCNN), and Quantum Random Forests (QRF). These are rigorously benchmarked against strong classical baselines, including Support V ector Regression (SVR), Random Forests (RF), and Multi-Layer Perceptrons (MLP). Comprehensive evaluation spanning absolute and relative error metrics, threshold accuracies, and error distributions shows that top-performing quantum models (QCNN, QRF) match the predictive accuracy and robustness of classical ensembles and deep networks, particularly within the chemically prevalent mid-range BDE regime. These findings establish a transparent baseline for quantum-enhanced molecular property prediction and outline a practical foundation for advancing quantum computational chemistry toward near chemical accuracy.

Industrial question-answering (QA) systems require higher safety and reliability than general-purpose dialogue models, as errors in high-risk scenarios such as equipment fault diagnosis can have severe consequences. Although multi-agent large language models enhance reasoning depth, they suffer from uncontrolled iterations and unverifiable outputs, and conventional distillation methods struggle to transfer collaborative reasoning capabilities to lightweight, deployable student models. To address these challenges, we propose Knowledge Graph-guided Multi-Agent System Distillation (KG-MASD). Our approach formulates distillation as a Markov Decision Process and incorporates a knowledge graph as a verifiable structured prior to enrich state representation and ensure convergence. By integrating collaborative reasoning with knowledge grounding, KG-MASD generates high-confidence instruction-tuning data and jointly distills reasoning depth and verifiability into compact student models suitable for edge deployment. Experiments on an industrial QA dataset show that KG-MASD improves accuracy by 2.4 per cent to 20.1 per cent over baselines and significantly enhances reliability, enabling trustworthy AI deployment in safety-critical industrial scenarios. Code and data are available at https://github.com/erwinmsmith/KG-MAD/.

Open-world survival games pose significant challenges for AI algorithms due to their multi-tasking, deep exploration, and goal prioritization requirements. Despite reinforcement learning (RL) being popular for solving games, its high sample complexity limits its effectiveness in complex open-world games like Crafter or Minecraft. We propose a novel approach, SPRING, to read Crafter's original academic paper and use the knowledge learned to reason and play the game through a large language model (LLM).

We also give a training algorithm usable for all mixed integer linear programs, vastly generalizing the applicability of the framework.

Resonac President and CEO Hidehito Takahashi (front row, third from left) in Tokyo on Sept. 3 along with officials from companies participating in a joint framework to develop chipmaking equipment | JIJI NAGOYA - Faced with a long slump in their mainline petrochemical operations, major Japanese chemical makers are working with other companies over businesses related to semiconductor materials. While chemical makers are in the middle of a structural shift with hopes to turn the semiconductor-related businesses into their new pillars of growth, the rise of generative artificial intelligence has made it challenging for them to make semiconductors more functional on their own. Therefore, they are taking measures with others, such as setting up a joint framework, to speed up the development of related materials. In a time of both misinformation and too much information, quality journalism is more crucial than ever. By subscribing, you can help us get the story right.

Recent advancements in large language models (LLMs) have accelerated progress toward artificial general intelligence, yet their potential to generate harmful content poses critical safety challenges. Existing alignment methods often struggle to cover diverse safety scenarios and remain vulnerable to adversarial attacks. In this work, we propose SAFER, a framework for Safety Alignment via eFficient Ex-Ante Reasoning. Our approach instantiates structured Ex-Ante reasoning through initial assessment, rule verification, and path calibration, and embeds predefined safety rules to provide transparent and verifiable safety judgments. Specifically, our approach consists of two training stages: (1) supervised fine-tuning with synthetic traces to teach the multi-stage Ex-Ante reasoning, and (2) step-level reasoning preference optimization to jointly enhance safety, utility, and efficiency. Experiments on multiple open-source LLMs demonstrate that SAFER significantly enhances safety performance while maintaining helpfulness and response efficiency.

Transferring the recent advancements in deep learning into scientific disciplines is hindered by the lack of the required large-scale datasets for training. We argue that in these knowledge-rich domains, the established body of scientific theory provides reliable inductive biases in the form of governing physical laws. We address the ill-posed inverse problem of recovering Raman spectra from noisy Coherent Anti-Stokes Raman Scattering (CARS) measurements, as the true Raman signal here is suppressed by a dominating non-resonant background. We propose RamPINN, a model that learns to recover Raman spectra from given CARS spectra. Our core methodological contribution is a physics-informed neural network that utilizes a dual-decoder architecture to disentangle resonant and non-resonant signals. This is done by enforcing the Kramers-Kronig causality relations via a differentiable Hilbert transform loss on the resonant and a smoothness prior on the non-resonant part of the signal. Trained entirely on synthetic data, RamPINN demonstrates strong zero-shot generalization to real-world experimental data, explicitly closing this gap and significantly outperforming existing baselines. Furthermore, we show that training with these physics-based losses alone, without access to any ground-truth Raman spectra, still yields competitive results. This work highlights a broader concept: formal scientific rules can act as a potent inductive bias, enabling robust, self-supervised learning in data-limited scientific domains.

Planetary exploration missions require robust locomotion systems capable of operating in extreme environments over extended periods. This paper presents the DISTANT (Distant Transmission and Steering Systems) design, a novel approach for relocating rover traction and steering actuators from wheel-mounted positions to a thermally protected warm box within the rover body. The design addresses critical challenges in long-distance traversal missions by protecting sensitive components from thermal cycling, dust contamination, and mechanical wear. A double wishbone suspension configuration with cardan joints and capstan drive steering has been selected as the optimal architecture following comprehensive trade-off analysis. The system enables independent wheel traction, steering control, and suspension management whilst maintaining all motorisation within the protected environment. The design meets a 50 km traverse requirement without performance degradation, with integrated dust protection mechanisms and thermal management solutions. Testing and validation activities are planned for Q1 2026 following breadboard manufacturing at 1:3 scale.

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural engineering, particularly for finite element modeling tasks requiring geometric modeling, complex reasoning, and domain knowledge. To bridge this gap, this paper develops a LLM-based multi-agent system to automate finite element modeling of 2D frames. The system decomposes structural analysis into subtasks, each managed by a specialized agent powered by the lightweight Llama-3.3 70B Instruct model. The workflow begins with a Problem Analysis Agent, which extracts geometry, boundary, and material parameters from the user input. Next, a Geometry Agent incrementally derives node coordinates and element connectivity by applying expert-defined rules. These structured outputs are converted into executable OpenSeesPy code by a Translation Agent and refined by a Model Validation Agent through consistency checks. Then, a Load Agent applies load conditions into the assembled structural model. Experimental evaluations on 20 benchmark problems demonstrate that the system achieves accuracy over 80% in most cases across 10 repeated trials, outperforming Gemini-2.5 Pro and ChatGPT-4o models.