Peat, a crucial component in whisky production, imparts distinctive and irreplaceable flavours to the final product. However, the extraction of peat disrupts ancient ecosystems and releases significant amounts of carbon, contributing to climate change. This paper aims to address this issue by conducting a feasibility study on enhancing peat use efficiency in whisky manufacturing through non-destructive analysis using hyperspectral imaging. Results show that shot-wave infrared (SWIR) data is more effective for analyzing peat samples and predicting total phenol levels, with accuracies up to 99.81%.

Sam Altman, CEO of OpenAI, has a vision for how AI tools will become enmeshed in our daily lives. During a sit-down chat with MIT Technology Review in Cambridge, Massachusetts, he described how he sees the killer app for AI as a "super-competent colleague that knows absolutely everything about my whole life, every email, every conversation I've ever had, but doesn't feel like an extension." In the new paradigm, as Altman sees it, AI will be capable of helping us outside the chat interface and taking real-world tasks off our plates. Read more about Altman's thoughts on the future of AI hardware, where training data will come from next, and who is best poised to create AGI. Eliminating carbon pollution from aviation is one of the most challenging parts of the climate puzzle, simply because large commercial airlines are too heavy and need too much power during takeoff for today's batteries to do the job.

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.

The number of scientific articles published in the domain of food safety has consistently been increasing over the last few decades. It has therefore become unfeasible for food safety experts to read all relevant literature related to food safety and the occurrence of hazards in the food chain. However, it is important that food safety experts are aware of the newest findings and can access this information in an easy and concise way. In this study, an approach is presented to automate the extraction of chemical hazards from the scientific literature through large language models. The large language model was used out-of-the-box and applied on scientific abstracts; no extra training of the models or a large computing cluster was required. Three different styles of prompting the model were tested to assess which was the most optimal for the task at hand. The prompts were optimized with two validation foods (leafy greens and shellfish) and the final performance of the best prompt was evaluated using three test foods (dairy, maize and salmon). The specific wording of the prompt was found to have a considerable effect on the results. A prompt breaking the task down into smaller steps performed best overall. This prompt reached an average accuracy of 93% and contained many chemical contaminants already included in food monitoring programs, validating the successful retrieval of relevant hazards for the food safety domain. The results showcase how valuable large language models can be for the task of automatic information extraction from the scientific literature.

Simulation is a widely used tool in robotics to reduce hardware consumption and gather large-scale data. Despite previous efforts to simulate optical tactile sensors, there remain challenges in efficiently synthesizing images and replicating marker motion under different contact loads. In this work, we propose a fast optical tactile simulator, named FOTS, for simulating optical tactile sensors. We utilize multi-layer perceptron mapping and planar shadow generation to simulate the optical response, while employing marker distribution approximation to simulate the motion of surface markers caused by the elastomer deformation. Experimental results demonstrate that FOTS outperforms other methods in terms of image generation quality and rendering speed, achieving 28.6 fps for optical simulation and 326.1 fps for marker motion simulation on a single CPU without GPU acceleration. In addition, we integrate the FOTS simulation model with physical engines like MuJoCo, and the peg-in-hole task demonstrates the effectiveness of our method in achieving zero-shot Sim2Real learning of tactile-motor robot manipulation skills. Our code is available at https://github.com/Rancho-zhao/FOTS.

Reward machines inform reinforcement learning agents about the reward structure of the environment and often drastically speed up the learning process. However, reward machines only accept Boolean features such as robot-reached-gold. Consequently, many inherently numeric tasks cannot profit from the guidance offered by reward machines. To address this gap, we aim to extend reward machines with numeric features such as distance-to-gold. For this, we present two types of reward machines: numeric-Boolean and numeric. In a numeric-Boolean reward machine, distance-to-gold is emulated by two Boolean features distance-to-gold-decreased and robot-reached-gold. In a numeric reward machine, distance-to-gold is used directly alongside the Boolean feature robot-reached-gold. We compare our new approaches to a baseline reward machine in the Craft domain, where the numeric feature is the agent-to-target distance. We use cross-product Q-learning, Q-learning with counter-factual experiences, and the options framework for learning. Our experimental results show that our new approaches significantly outperform the baseline approach. Extending reward machines with numeric features opens up new possibilities of using reward machines in inherently numeric tasks.

Machine learning algorithms emerge as a promising approach in energy fields, but its practical is hindered by data barriers, stemming from high collection costs and privacy concerns. This study introduces a novel federated learning (FL) framework based on XGBoost models, enabling safe collaborative modeling with accessible yet concealed data from multiple parties. Hyperparameter tuning of the models is achieved through Bayesian Optimization. To ascertain the merits of the proposed FL-XGBoost method, a comparative analysis is conducted between separate and centralized models to address a classical binary classification problem in geoenergy sector. The results reveal that the proposed FL framework strikes an optimal balance between privacy and accuracy. FL models demonstrate superior accuracy and generalization capabilities compared to separate models, particularly for participants with limited data or low correlation features and offers significant privacy benefits compared to centralized model. The aggregated optimization approach within the FL agreement proves effective in tuning hyperparameters. This study opens new avenues for assessing unconventional reservoirs through collaborative and privacy-preserving FL techniques.

The functional replication and actuation of complex structures inspired by nature is a longstanding goal for humanity. Creating such complex structures combining soft and rigid features and actuating them with artificial muscles would further our understanding of natural kinematic structures. We printed a biomimetic hand in a single print process comprised of a rigid skeleton, soft joint capsules, tendons, and printed touch sensors. We showed it's actuation using electric motors. In this work, we expand on this work by adding a forearm that is also closely modeled after the human anatomy and replacing the hand's motors with 22 independently controlled pneumatic artificial muscles (PAMs). Our thin, high-strain (up to 30.1%) PAMs match the performance of state-of-the-art artificial muscles at a lower cost. The system showcases human-like dexterity with independent finger movements, demonstrating successful grasping of various objects, ranging from a small, lightweight coin to a large can of 272g in weight. The performance evaluation, based on fingertip and grasping forces along with finger joint range of motion, highlights the system's potential.

Machine learning interatomic potentials (MLIPs) have become a workhorse of modern atomistic simulations, and recently published universal MLIPs, pre-trained on large datasets, have demonstrated remarkable accuracy and generalizability. However, the computational cost of MLIPs limits their applicability to chemically disordered systems requiring large simulation cells or to sample-intensive statistical methods. Here, we report the use of continuous and differentiable alchemical degrees of freedom in atomistic materials simulations, exploiting the fact that graph neural network MLIPs represent discrete elements as real-valued tensors. The proposed method introduces alchemical atoms with corresponding weights into the input graph, alongside modifications to the message-passing and readout mechanisms of MLIPs, and allows smooth interpolation between the compositional states of materials. The end-to-end differentiability of MLIPs enables efficient calculation of the gradient of energy with respect to the compositional weights. Leveraging these gradients, we propose methodologies for optimizing the composition of solid solutions towards target macroscopic properties and conducting alchemical free energy simulations to quantify the free energy of vacancy formation and composition changes. The approach offers an avenue for extending the capabilities of universal MLIPs in the modeling of compositional disorder and characterizing the phase stabilities of complex materials systems.

In recent years, Large Language Models have revolutionized the field of natural language processing, showcasing an impressive rise predominantly in English-centric domains. These advancements have set a global benchmark, inspiring significant efforts toward developing Arabic LLMs capable of understanding and generating the Arabic language with remarkable accuracy. Despite these advancements, a critical challenge persists: the potential bias in Arabic LLMs, primarily attributed to their reliance on datasets comprising English data that has been translated into Arabic. This reliance not only compromises the authenticity of the generated content but also reflects a broader issue -the scarcity of original quality Arabic linguistic data. This study aims to address the data scarcity in the Arab world and to encourage the development of Arabic Language Models that are true to both the linguistic and nuances of the region. We undertook a large-scale data mining project, extracting a substantial volume of text from the Common Crawl WET files, specifically targeting Arabic content. The extracted data underwent a rigorous cleaning and deduplication process, using innovative techniques to ensure the integrity and uniqueness of the dataset. The result is the 101 Billion Arabic Words Dataset, the largest Arabic dataset available to date, which can significantly contribute to the development of authentic Arabic LLMs. This study not only highlights the potential for creating linguistically and culturally accurate Arabic LLMs but also sets a precedent for future research in enhancing the authenticity of Arabic language models.