The conversion of $\mathrm{CO_2}$ into useful products such as methanol is a key strategy for abating climate change and our dependence on fossil fuels. Developing new catalysts for this process is costly and time-consuming and can thus benefit from computational exploration of possible active sites. However, this is complicated by the complexity of the materials and reaction networks. Here, we present a workflow for exploring transition states of elementary reaction steps at inverse catalysts, which is based on the training of a neural network-based machine learning interatomic potential. We focus on the crucial formate intermediate and its formation over nanoclusters of indium oxide supported on Cu(111). The speedup compared to an approach purely based on density functional theory allows us to probe a wide variety of active sites found at nanoclusters of different sizes and stoichiometries. Analysis of the obtained set of transition state geometries reveals different structure--activity trends at the edge or interior of the nanoclusters. Furthermore, the identified geometries allow for the breaking of linear scaling relations, which could be a key underlying reason for the excellent catalytic performance of inverse catalysts observed in experiments.

Accurate property data for chemical elements is crucial for materials design and manufacturing, but many of them are difficult to measure directly due to equipment constraints. While traditional methods use the properties of other elements or related properties for prediction via numerical analyses, they often fail to model complex relationships. After all, not all characteristics can be represented as scalars. Recent efforts have been made to explore advanced AI tools such as language models for property estimation, but they still suffer from hallucinations and a lack of interpretability. In this paper, we investigate Element2Vecto effectively represent chemical elements from natural languages to support research in the natural sciences. Given the text parsed from Wikipedia pages, we use language models to generate both a single general-purpose embedding (Global) and a set of attribute-highlighted vectors (Local). Despite the complicated relationship across elements, the computational challenges also exist because of 1) the discrepancy in text distribution between common descriptions and specialized scientific texts, and 2) the extremely limited data, i.e., with only 118 known elements, data for specific properties is often highly sparse and incomplete. Thus, we also design a test-time training method based on self-attention to mitigate the prediction error caused by Vanilla regression clearly. We hope this work could pave the way for advancing AI-driven discovery in materials science.

Rock capturing with standard excavator buckets is a challenging task typically requiring the expertise of skilled operators. Unlike soil digging, it involves manipulating large, irregular rocks in unstructured environments where complex contact interactions with granular material make model-based control impractical. Existing autonomous excavation methods focus mainly on continuous media or rely on specialized grippers, limiting their applicability to real-world construction sites. This paper introduces a fully data-driven control framework for rock capturing that eliminates the need for explicit modeling of rock or soil properties. Robustness is enhanced through extensive domain randomization of rock geometry, density, and mass, as well as the initial configurations of the bucket, rock, and goal position. To the best of our knowledge, this is the first study to develop and evaluate an RL-based controller for the rock capturing task. Experimental results show that the policy generalizes well to unseen rocks and varying soil conditions, achieving high success rates comparable to those of human participants while maintaining machine stability. Corresponding author Email address: amirmasoud.molaei@tuni.fi Keywords: Excavators, Automatic rock capturing, Reinforcement learning, High-fidelity simulation, Guiding Reward Formulation, Non-prehensile manipulation 1. Introduction Autonomous excavation holds a great promise in addressing increasing demands of the mining and construction industries, two of the largest and most essential sectors worldwide. The excavator is one of the most widely used and versatile heavy-duty mobile machines (HDMMs), which is typically operated through a hydraulic system. Excavators are utilized for a wide range of earth-moving tasks, including digging, trenching, grading, and in particular material handling. Despite their versatility, traditional manual operation of excavators can result in low efficiency, increased physical strain on operators, and exposure to hazardous environments like open-pit mines. These challenges underscore the need for automation to enhance safety and productivity. An excavator is primarily composed of three major components, the traveling body, swing body, and the front digging manipulator. The digging manipulator, includes three main parts, boom, arm, and bucket, which are actuated by hydraulic cylinders. Additionally, joints connect the swing body, boom, arm, and bucket, allowing for flexible and precise motion [1, 2, 3, 4].

Building robots is an engaging activity that provides opportunities for hands-on learning. However, traditional robot-building kits are usually costly with limited functionality due to material and technology constraints. To improve the accessibility and flexibility of such kits, we take paper as the building material and extensively explore the versatility of paper-based interactions. Based on an analysis of current robot-building kits and paper-based interaction research, we propose a design space for devising paper robots. We also analyzed our building kit designs using this design space, where these kits demonstrate the potential of paper as a cost-effective material for robot building. As a starting point, our design space and building kit examples provide a guideline that inspires and informs future research and development of novel paper robot-building kits.

Molecular optimization is a central task in drug discovery that requires precise structural reasoning and domain knowledge. While large language models (LLMs) have shown promise in generating high-level editing intentions in natural language, they often struggle to faithfully execute these modifications-particularly when operating on non-intuitive representations like SMILES. We introduce MECo, a framework that bridges reasoning and execution by translating editing actions into executable code. MECo reformulates molecular optimization for LLMs as a cascaded framework: generating human-interpretable editing intentions from a molecule and property goal, followed by translating those intentions into executable structural edits via code generation. Our approach achieves over 98% accuracy in reproducing held-out realistic edits derived from chemical reactions and target-specific compound pairs. On downstream optimization benchmarks spanning physicochemical properties and target activities, MECo substantially improves consistency by 38-86 percentage points to 90%+ and achieves higher success rates over SMILES-based baselines while preserving structural similarity. By aligning intention with execution, MECo enables consistent, controllable and interpretable molecular design, laying the foundation for high-fidelity feedback loops and collaborative human-AI workflows in drug discovery.

Prior benchmarks for evaluating the domain-specific knowledge of large language models (LLMs) lack the scalability to handle complex academic tasks. To address this, we introduce \texttt{ScholarBench}, a benchmark centered on deep expert knowledge and complex academic problem-solving, which evaluates the academic reasoning ability of LLMs and is constructed through a three-step process. \texttt{ScholarBench} targets more specialized and logically complex contexts derived from academic literature, encompassing five distinct problem types. Unlike prior benchmarks, \texttt{ScholarBench} evaluates the abstraction, comprehension, and reasoning capabilities of LLMs across eight distinct research domains. To ensure high-quality evaluation data, we define category-specific example attributes and design questions that are aligned with the characteristic research methodologies and discourse structures of each domain. Additionally, this benchmark operates as an English-Korean bilingual dataset, facilitating simultaneous evaluation for linguistic capabilities of LLMs in both languages. The benchmark comprises 5,031 examples in Korean and 5,309 in English, with even state-of-the-art models like o3-mini achieving an average evaluation score of only 0.543, demonstrating the challenging nature of this benchmark.

Plans for a groundbreaking rare earths refinery in East Yorkshire have been abandoned, after the company behind the project decided to seek investment in the United States instead. Pensana has spent the past seven years developing a rare earths mine in Angola. The $268m (£185m) project, one of the largest of its kind in the world, will begin delivering raw materials in 2027. The company had planned to build a refinery at the Saltend Chemicals Plant near Hull, which would have processed the raw materials into metals used to create powerful magnets. These magnets would then be used in high-tech applications such as motors for electric vehicles, wind turbines and robotics.

Although digital fabrication processes at the desktop scale have become proficient and prolific, systems aimed at producing larger-scale structures are still typically complex, expensive, and unreliable. In this work, we present an approach for the fabrication of scalable macroscale structures using simple robots and interlocking lattice building blocks. A target structure is first voxelized so that it can be populated with an architected lattice. These voxels are then grouped into larger interconnected blocks, which are produced using standard digital fabrication processes, leveraging their capability to produce highly complex geometries at a small scale. These blocks, on the size scale of tens of centimeters, are then fed to mobile relative robots that are able to traverse over the structure and place new blocks to form structures on the meter scale. To facilitate the assembly of large structures, we introduce a live digital twin simulation tool for controlling and coordinating assembly robots that enables both global planning for a target structure and live user design, interaction, or intervention. To improve assembly throughput, we introduce a new modular assembly robot, designed for hierarchical voxel handling. We validate this system by demonstrating the voxelization, hierarchical blocking, path planning, and robotic fabrication of a set of meter-scale objects.

LiDAR Simultaneous Localization and Mapping (SLAM) systems are essential for enabling precise navigation and environmental reconstruction across various applications. Although current point-to-plane ICP algorithms perform effec- tively in structured, feature-rich environments, they struggle in scenarios with sparse features, repetitive geometric structures, and high-frequency motion. This leads to degeneracy in 6- DOF pose estimation. Most state-of-the-art algorithms address these challenges by incorporating additional sensing modalities, but LiDAR-only solutions continue to face limitations under such conditions. To address these issues, we propose a novel Degeneracy-Aware Multi-Metric LiDAR Odometry and Map- ping (DAMM-LOAM) module. Our system improves mapping accuracy through point cloud classification based on surface normals and neighborhood analysis. Points are classified into ground, walls, roof, edges, and non-planar points, enabling accurate correspondences. A Degeneracy-based weighted least squares-based ICP algorithm is then applied for accurate odom- etry estimation. Additionally, a Scan Context based back-end is implemented to support robust loop closures. DAMM-LOAM demonstrates significant improvements in odometry accuracy, especially in indoor environments such as long corridors

Real-world financial documents report essential information about an entity's financial holdings that can span millions of different financial instrument types. Yet, these details are often buried in messy, multi-page, fragmented tables - for example, 99.4% of the tables in our dataset have no bounding boxes with the maximum number of rows amounting to 426 per table across 44 pages. To tackle these unique challenges from real-world tables, we present a continuously learning, agentic table extraction system, TASER (Table Agents for Schema-guided Extraction and Recommendation) that extracts highly unstructured, multi-page, heterogeneous tables into normalized, schema-conforming outputs. Our table agents execute on table detection, classification, extraction, and recommendations by leveraging an initial schema. Then, our Recommender Agent reviews the outputs, recommends schema revisions, and decides on the final recommendations, enabling TASER to outperform existing table detection models such as Table Transformer by 10.1%. Within this continuous learning process, we highlight that larger batch sizes result in a 104.3% increase in schema recommendations that are actionable and utilized, resulting in a 9.8% increase in extracted holdings - highlighting the importance of a continuous learning process. To train TASER, we have manually labeled 22,584 pages (28,150,449 tokens), 3,213 tables for $731,685,511,687 of holdings culminating in one of the first real financial table datasets. We release our dataset TASERTab to enable the research community to access real-world financial tables and outputs. Our results highlight the promise of agentic, schema-guided extraction systems for robust understanding of real-world financial tables.