The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Hosted by Eleanor Drage and Kerry McInerney, The Good Robot is a podcast which explores the many complex intersections between gender, feminism and technology. In this episode, we talk to Sebastián Lehuedé, a Lecturer in Ethics, AI, and Society at King's College London. We talk about data activism in Chile, how water-intensive lithium extraction affects people living in the Atacama desert, the importance of reflexive research ethics, and an accidental Sunday afternoon shot of tequila. Sebastián's research focuses on the governance of digital technologies from a global social justice perspective. His current project, AI's Nature, explores the connection between Artificial Intelligence and environmental justice.

A principal curve serves as a powerful tool for uncovering underlying structures of data through 1-dimensional smooth and continuous representations. On the basis of optimal transport theories, this paper introduces a novel principal curve framework constrained by monotonicity with rigorous theoretical justifications. We establish statistical guarantees for our monotone curve estimate, including expected empirical and generalized mean squared errors, while proving the existence of such estimates. These statistical foundations justify adopting the popular early stopping procedure in machine learning to implement our numeric algorithm with neural networks. Comprehensive simulation studies reveal that the proposed monotone curve estimate outperforms competing methods in terms of accuracy when the data exhibits a monotonic structure. Moreover, through two real-world applications on future prices of copper, gold, and silver, and avocado prices and sales volume, we underline the robustness of our curve estimate against variable transformation, further confirming its effective applicability for noisy and complex data sets. We believe that this monotone curve-fitting framework offers significant potential for numerous applications where monotonic relationships are intrinsic or need to be imposed.

This article discusses the integration of the Artificial Bee Colony (ABC) algorithm with two supervised learning methods, namely Artificial Neural Networks (ANNs) and Adaptive Network-based Fuzzy Inference System (ANFIS), for feature selection from Near-Infrared (NIR) spectra for predicting the molecular weight of medical-grade Polylactic Acid (PLA). During extrusion processing of PLA, in-line NIR spectra were captured along with extrusion process and machine setting data. With a dataset comprising 63 observations and 512 input features, appropriate machine learning tools are essential for interpreting data and selecting features to improve prediction accuracy. Initially, the ABC optimization algorithm is coupled with ANN/ANFIS to forecast PLA molecular weight. The objective functions of the ABC algorithm are to minimize the root mean square error (RMSE) between experimental and predicted PLA molecular weights while also minimizing the number of input features. Results indicate that employing ABC-ANFIS yields the lowest RMSE of 282 Da and identifies four significant parameters (NIR wavenumbers 6158 cm-1, 6310 cm-1, 6349 cm-1, and melt temperature) for prediction. These findings demonstrate the effectiveness of using the ABC algorithm with ANFIS for selecting a minimal set of features to predict PLA molecular weight with high accuracy during processing

Timber represents an increasingly valuable and versatile resource. However, forestry operations such as harvesting, handling and measuring logs still require substantial human labor in remote environments posing significant safety risks. Progressively automating these tasks has the potential of increasing their efficiency as well as safety, but requires an accurate detection of individual logs as well as live trees and their context. Although initial approaches have been proposed for this challenging application domain, specialized data and algorithms are still too scarce to develop robust solutions. To mitigate this gap, we introduce the TimberVision dataset, consisting of more than 2k annotated RGB images containing a total of 51k trunk components including cut and lateral surfaces, thereby surpassing any existing dataset in this domain in terms of both quantity and detail by a large margin. Based on this data, we conduct a series of ablation experiments for oriented object detection and instance segmentation and evaluate the influence of multiple scene parameters on model performance. We introduce a generic framework to fuse the components detected by our models for both tasks into unified trunk representations. Furthermore, we automatically derive geometric properties and apply multi-object tracking to further enhance robustness. Our detection and tracking approach provides highly descriptive and accurate trunk representations solely from RGB image data, even under challenging environmental conditions. Our solution is suitable for a wide range of application scenarios and can be readily combined with other sensor modalities.

Soft pneumatic fingers are of great research interest. However, their significant potential is limited as most of them can generate only one motion, mostly bending. The conventional design of soft fingers does not allow them to switch to another motion mode. In this paper, we developed a novel multi-modal and single-actuated soft finger where its motion mode is switched by changing the finger's temperature. Our soft finger is capable of switching between three distinctive motion modes: bending, twisting, and extension-in approximately five seconds. We carried out a detailed experimental study of the soft finger and evaluated its repeatability and range of motion. It exhibited repeatability of around one millimeter and a fifty percent larger range of motion than a standard bending actuator. We developed an analytical model for a fiber-reinforced soft actuator for twisting motion. This helped us relate the input pressure to the output twist radius of the twisting motion. This model was validated by experimental verification. Further, a soft robotic gripper with multiple grasp modes was developed using three actuators. This gripper can adapt to and grasp objects of a large range of size, shape, and stiffness. We showcased its grasping capabilities by successfully grasping a small berry, a large roll, and a delicate tofu cube.

The integration of machine learning (ML) into chemistry offers transformative potential in the design of molecules with targeted properties. However, the focus has often been on creating highly efficient predictive models, sometimes at the expense of interpretability. In this study, we leverage explainable AI techniques to explore the rational design of boron-based Lewis acids, which play a pivotal role in organic reactions due to their electron-ccepting properties. Using Fluoride Ion Affinity as a proxy for Lewis acidity, we developed interpretable ML models based on chemically meaningful descriptors, including ab initio computed features and substituent-based parameters derived from the Hammett linear free-energy relationship. By constraining the chemical space to well-defined molecular scaffolds, we achieved highly accurate predictions (mean absolute error < 6 kJ/mol), surpassing conventional black-box deep learning models in low-data regimes. Interpretability analyses of the models shed light on the origin of Lewis acidity in these compounds and identified actionable levers to modulate it through the nature and positioning of substituents on the molecular scaffold. This work bridges ML and chemist's way of thinking, demonstrating how explainable models can inspire molecular design and enhance scientific understanding of chemical reactivity.

Most modern LLMs use Transformers [30] as their backbones, which demonstrate significant advantages over many existing neural network models. Transformers achieve many state-of-the-art performances in learning tasks including natural language processing [33] and computer vision [18]. However, the underlying mechanism for the success of Transformers remains largely a mystery to theoretical researchers. It has been discussed in a line of recent works [2, 4, 15, 38] that, instead of learning simple prediction rules (such as a linear model) Transformers are capable of learning to perform learning algorithms that can automatically generate new prediction rules. For instance, when a new dataset is organized as the input of a Transformer, the model can automatically perform linear regression on this new dataset to produce a newly fitted linear model and make predictions accordingly. This idea of treating Transformers as "algorithm approximators" has provided insights into the power of large language models. However, these existing works only provide guarantees for the in-context supervised learning capacities of Transformers. It remains unclear whether Transformers are capable of handling unsupervised tasks as well.

Tactile sensing is critical in advanced interactive systems by emulating the human sense of touch to detect stimuli. Vision-based tactile sensors (VBTSs) are promising for their ability to provide rich information, robustness, adaptability, low cost, and multimodal capabilities. However, current technologies still have limitations in sensitivity, spatial resolution, and the high computational demands of deep learning-based image processing. This paper presents a comprehensive approach combining a novel sensor structure with micromachined structures and an efficient image processing method, and demonstrates that carefully engineered microstructures within the sensor hardware can significantly enhance sensitivity while reducing computational load. Unlike traditional designs with tracking markers, our sensor incorporates an interface surface with micromachined trenches, as an example of microstructures, which modulate light transmission and amplify the variation in response to applied force. By capturing variations in brightness, wire width, and cross pattern locations with a camera, the sensor accurately infers the contact location, the magnitude of displacement and applied force with a lightweight convolutional neural network (CNN). Theoretical and experimental results demonstrated that the microstructures significantly enhance sensitivity by amplifying the visual effects of shape distortion. The sensor system effectively detected forces below 10 mN, and achieved a millimetre-level single-point spatial resolution. Using a model with only one convolutional layer, a mean absolute error (MAE) below 0.05 mm have been achieved. Its soft sensor body ensures compatibility with soft robots and wearable electronics, while its immunity to electrical crosstalk and interference guarantees reliability in complex human-machine environments.

Deep learning models for anticipating the products of organic reactions have found many use cases, including validating retrosynthetic pathways and constraining synthesis-based molecular design tools. Despite compelling performance on popular benchmark tasks, strange and erroneous predictions sometimes ensue when using these models in practice. The core issue is that common benchmarks test models in an in-distribution setting, whereas many real-world uses for these models are in out-of-distribution settings and require a greater degree of extrapolation. To better understand how current reaction predictors work in out-of-distribution domains, we report a series of more challenging evaluations of a prototypical SMILES-based deep learning model. First, we illustrate how performance on randomly sampled datasets is overly optimistic compared to performance when generalizing to new patents or new authors. Second, we conduct time splits that evaluate how models perform when tested on reactions published in years after those in their training set, mimicking real-world deployment. Finally, we consider extrapolation across reaction classes to reflect what would be required for the discovery of novel reaction types. This panel of tasks can reveal the capabilities and limitations of today's reaction predictors, acting as a crucial first step in the development of tomorrow's next-generation models capable of reaction discovery.