Materials
Metal Price Spike Prediction via a Neurosymbolic Ensemble Approach
Lee, Nathaniel, Ngu, Noel, Sahdev, Harshdeep Singh, Motaganahall, Pramod, Chowdhury, Al Mehdi Saadat, Xi, Bowen, Shakarian, Paulo
Predicting price spikes in critical metals such as Cobalt, Copper, Magnesium, and Nickel is crucial for mitigating economic risks associated with global trends like the energy transition and reshoring of manufacturing. While traditional models have focused on regression-based approaches, our work introduces a neurosymbolic ensemble framework that integrates multiple neural models with symbolic error detection and correction rules. This framework is designed to enhance predictive accuracy by correcting individual model errors and offering interpretability through rule-based explanations. We show that our method provides up to 6.42% improvement in precision, 29.41% increase in recall at 13.24% increase in F1 over the best performing neural models. Further, our method, as it is based on logical rules, has the benefit of affording an explanation as to which combination of neural models directly contribute to a given prediction.
Geometrically predictable micro fabricated continuum robot
Su, Xiaoyu, Wang, Lei, Chen, Zhuoran
Compared to the micro continuum robots that use traditional manufacturing technology, the micro fabricated continuum robots are different in terms of the application of smart materials, additive manufacturing process, and physical field control. However, the existing geometrical prediction models of the micro continuum robots still follow the model frameworks designed for their larger counterparts, which is inconsistent with the real geometrical transformation principle of micro fabricated continuum robots. In this paper, we present a universal geometrical prediction method for the geometry transformation of the micro fabricated continuum robots based on their material properties and the displacement of the stress points. By discretizing of the micro fabricated continuum structure and applying force constraints between adjacent points to simulate material properties, formulations and simulations are demonstrated to prove the feasibility and effectiveness of the proposed method. Three micro fabricated continuum robots driven through different external field forces are investigated to show two superiorities: the geometrical deformation of a micro fabricated continuum robot under external disturbances can be predicted, and a targeted geometry can be shaped by predicting the sequence and directions of external forces. This pioneer research has contributed to promote understanding and operation of micro fabricated continuum robots and their deformation both from theoretical aspect and real experimental operations.
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development
Ma, Tengfei, Lin, Xuan, Li, Tianle, Li, Chaoyi, Chen, Long, Zhou, Peng, Cai, Xibao, Yang, Xinyu, Zeng, Daojian, Cao, Dongsheng, Zeng, Xiangxiang
Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as drug development remains challenges. To solve these challenges, we introduce \textbf{Y-Mol}, forming a well-established LLM paradigm for the flow of drug development. Y-Mol is a multiscale biomedical knowledge-guided LLM designed to accomplish tasks across lead compound discovery, pre-clinic, and clinic prediction. By integrating millions of multiscale biomedical knowledge and using LLaMA2 as the base LLM, Y-Mol augments the reasoning capability in the biomedical domain by learning from a corpus of publications, knowledge graphs, and expert-designed synthetic data. The capability is further enriched with three types of drug-oriented instructions: description-based prompts from processed publications, semantic-based prompts for extracting associations from knowledge graphs, and template-based prompts for understanding expert knowledge from biomedical tools. Besides, Y-Mol offers a set of LLM paradigms that can autonomously execute the downstream tasks across the entire process of drug development, including virtual screening, drug design, pharmacological properties prediction, and drug-related interaction prediction. Our extensive evaluations of various biomedical sources demonstrate that Y-Mol significantly outperforms general-purpose LLMs in discovering lead compounds, predicting molecular properties, and identifying drug interaction events.
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability
Panapitiya, Gihan, Gao, Peiyuan, Maupin, C Mark, Saldanha, Emily G
Molecular property prediction is a crucial step in many modern-day scientific applications including drug discovery and energy storage material design. Despite the availability of numerous machine learning models for this task, we are lacking in models that provide both high accuracies and interpretability of the predictions. We introduce the FragNet architecture, a graph neural network not only capable of achieving prediction accuracies comparable to the current state-of-the-art models, but also able to provide insight on four levels of molecular substructures. This model enables understanding of which atoms, bonds, molecular fragments, and molecular fragment connections are critical in the prediction of a given molecular property. The ability to interpret the importance of connections between fragments is of particular interest for molecules which have substructures that are not connected with regular covalent bonds. The interpretable capabilities of FragNet are key to gaining scientific insights from the model's learned patterns between molecular structure and molecular properties.
Making a Complete Mess and Getting Away with it: Traveling Salesperson Problems with Circle Placement Variants
Woller, David, Mansouri, Masoumeh, Kulich, Miroslav
This paper explores a variation of the Traveling Salesperson Problem, where the agent places a circular obstacle next to each node once it visits it. Referred to as the Traveling Salesperson Problem with Circle Placement (TSP-CP), the aim is to maximize the obstacle radius for which a valid closed tour exists and then minimize the tour cost. The TSP-CP finds relevance in various real-world applications, such as harvesting, quarrying, and open-pit mining. We propose several novel solvers to address the TSP-CP, its variant tailored for Dubins vehicles, and a crucial subproblem known as the Traveling Salesperson Problem on self-deleting graphs (TSP-SD). Our extensive experimental results show that the proposed solvers outperform the current state-of-the-art on related problems in solution quality.
The Hottest Startups in Stockholm in 2024
Why is Stockholm, a capital city with a population less than one million, home to global brands such as Skype, Spotify, Klarna and Minecraft? "I think it has to do with the Swedish creed," says Ben Eliass, CEO of bodycare brand Estrid. "It's a nation which put emphasis on high-quality education and invested heavily in telecoms infrastructure in the nineties, so we all grew up with high-speed internet." "It allows people to take high risk and start companies, not needing to be too afraid of the downsides," says Max Junestrand, CEO of legaltech startup Leya. Indeed, Sweden has now produced more unicorns per capita than any other country in Europe, except for Estonia, earning a reputation as the Silicon Valley of Europe"Stockholm has a truly unique ecosystem where you can stand on the shoulders of giants," says Colin Treseler, CEO of Supernormal.
Intelligent prospector v2.0: exploration drill planning under epistemic model uncertainty
Mern, John, Corso, Anthony, Burch, Damian, House, Kurt, Caers, Jef
Optimal Bayesian decision making on what geoscientific data to acquire requires stating a prior model of uncertainty. Data acquisition is then optimized by reducing uncertainty on some property of interest maximally, and on average. In the context of exploration, very few, sometimes no data at all, is available prior to data acquisition planning. The prior model therefore needs to include human interpretations on the nature of spatial variability, or on analogue data deemed relevant for the area being explored. In mineral exploration, for example, humans may rely on conceptual models on the genesis of the mineralization to define multiple hypotheses, each representing a specific spatial variability of mineralization. More often than not, after the data is acquired, all of the stated hypotheses may be proven incorrect, i.e. falsified, hence prior hypotheses need to be revised, or additional hypotheses generated. Planning data acquisition under wrong geological priors is likely to be inefficient since the estimated uncertainty on the target property is incorrect, hence uncertainty may not be reduced at all. In this paper, we develop an intelligent agent based on partially observable Markov decision processes that plans optimally in the case of multiple geological or geoscientific hypotheses on the nature of spatial variability. Additionally, the artificial intelligence is equipped with a method that allows detecting, early on, whether the human stated hypotheses are incorrect, thereby saving considerable expense in data acquisition. Our approach is tested on a sediment-hosted copper deposit, and the algorithm presented has aided in the characterization of an ultra high-grade deposit in Zambia in 2023.
Model Swarms: Collaborative Search to Adapt LLM Experts via Swarm Intelligence
Feng, Shangbin, Wang, Zifeng, Wang, Yike, Ebrahimi, Sayna, Palangi, Hamid, Miculicich, Lesly, Kulshrestha, Achin, Rauschmayr, Nathalie, Choi, Yejin, Tsvetkov, Yulia, Lee, Chen-Yu, Pfister, Tomas
We propose Model Swarms, a collaborative search algorithm to adapt LLMs via swarm intelligence, the collective behavior guiding individual systems. Specifically, Model Swarms starts with a pool of LLM experts and a utility function. Guided by the best-found checkpoints across models, diverse LLM experts collaboratively move in the weight space and optimize a utility function representing model adaptation objectives. Compared to existing model composition approaches, Model Swarms offers tuning-free model adaptation, works in low-data regimes with as few as 200 examples, and does not require assumptions about specific experts in the swarm or how they should be composed. Extensive experiments demonstrate that Model Swarms could flexibly adapt LLM experts to a single task, multi-task domains, reward models, as well as diverse human interests, improving over 12 model composition baselines by up to 21.0% across tasks and contexts. Further analysis reveals that LLM experts discover previously unseen capabilities in initial checkpoints and that Model Swarms enable the weak-to-strong transition of experts through the collaborative search process.
HumanFT: A Human-like Fingertip Multimodal Visuo-Tactile Sensor
Wu, Yifan, Chen, Yuzhou, Zhu, Zhengying, Qin, Xuhao, Xiao, Chenxi
Tactile sensors play a crucial role in enabling robots to interact effectively and safely with objects in everyday tasks. In particular, visuotactile sensors have seen increasing usage in two and three-fingered grippers due to their high-quality feedback. However, a significant gap remains in the development of sensors suitable for humanoid robots, especially five-fingered dexterous hands. One reason is because of the challenges in designing and manufacturing sensors that are compact in size. In this paper, we propose HumanFT, a multimodal visuotactile sensor that replicates the shape and functionality of a human fingertip. To bridge the gap between human and robotic tactile sensing, our sensor features real-time force measurements, high-frequency vibration detection, and overtemperature alerts. To achieve this, we developed a suite of fabrication techniques for a new type of elastomer optimized for force propagation and temperature sensing. Besides, our sensor integrates circuits capable of sensing pressure and vibration. These capabilities have been validated through experiments. The proposed design is simple and cost-effective to fabricate. We believe HumanFT can enhance humanoid robots' perception by capturing and interpreting multimodal tactile information.
A Surface Adaptive First-Look Inspection Planner for Autonomous Remote Sensing of Open-Pit Mines
Viswanathan, Vignesh Kottayam, Sumathy, Vidya, Kanellakis, Christoforos, Nikolakopoulos, George
In this work, we present an autonomous inspection framework for remote sensing tasks in active open-pit mines. Specifically, the contributions are focused towards developing a methodology where an initial approximate operator-defined inspection plan is exploited by an online view-planner to predict an inspection path that can adapt to changes in the current mine-face morphology caused by route mining activities. The proposed inspection framework leverages instantaneous 3D LiDAR and localization measurements coupled with modelled sensor footprint for view-planning satisfying desired viewing and photogrammetric conditions. The efficacy of the proposed framework has been demonstrated through simulation in Feiring-Bruk open-pit mine environment and hardware-based outdoor experimental trials. The video showcasing the performance of the proposed work can be found here: https://youtu.be/uWWbDfoBvFc