Materials
Tesla's Magnet Mystery Shows Elon Musk Is Willing to Compromise
To magneticians, folks who study the uncanny forces some materials exert thanks to the movements of electrons and sometimes use cryptic hand gestures, the identity of Rare Earth 1 was obvious: neodymium. When added to more familiar elements, like iron and boron, the metal can help create a powerful, always-on magnetic field. But few materials have this quality. And even fewer generate a field that is strong enough to move a 4,500-pound Tesla--and lots of other things, from industrial robots to fighter jets. If Tesla planned to eliminate neodymium and other rare earths from its motors, what sort of magnets would it use instead?
Physics-constrained neural differential equations for learning multi-ionic transport
Rehman, Danyal, Lienhard, John H.
Continuum models for ion transport through polyamide nanopores require solving partial differential equations (PDEs) through complex pore geometries. Resolving spatiotemporal features at this length and time-scale can make solving these equations computationally intractable. In addition, mechanistic models frequently require functional relationships between ion interaction parameters under nano-confinement, which are often too challenging to measure experimentally or know a priori. In this work, we develop the first physics-informed deep learning model to learn ion transport behaviour across polyamide nanopores. The proposed architecture leverages neural differential equations in conjunction with classical closure models as inductive biases directly encoded into the neural framework. The neural differential equations are pre-trained on simulated data from continuum models and fine-tuned on independent experimental data to learn ion rejection behaviour. Gaussian noise augmentations from experimental uncertainty estimates are also introduced into the measured data to improve model generalization. Our approach is compared to other physics-informed deep learning models and shows strong agreement with experimental measurements across all studied datasets.
Design and Evaluation of a Bioinspired Tendon-Driven 3D-Printed Robotic Eye with Active Vision Capabilities
Osooli, Hamid, Rahaghi, Mohsen Irani, Ahmadzadeh, S. Reza
The field of robotics has seen significant advancements in recent years, particularly in the development of humanoid robots. One area of research that has yet to be fully explored is the design of robotic eyes. In this paper, we propose a computer-aided 3D design scheme for a robotic eye that incorporates realistic appearance, natural movements, and efficient actuation. The proposed design utilizes a tendon-driven actuation mechanism, which offers a broad range of motion capabilities. The use of the minimum number of servos for actuation, one for each agonist-antagonist pair of muscles, makes the proposed design highly efficient. Compared to existing ones in the same class, our designed robotic eye comprises aesthetic and realistic features. We evaluate the robot's performance using a vision-based controller, which demonstrates the effectiveness of the proposed design in achieving natural movement, and efficient actuation. The experiment code, toolbox, and printable 3D sketches of our design have been open-sourced.
The ART of Transfer Learning: An Adaptive and Robust Pipeline
Wang, Boxiang, Wu, Yunan, Ye, Chenglong
Transfer learning is an essential tool for improving the performance of primary tasks by leveraging information from auxiliary data resources. In this work, we propose Adaptive Robust Transfer Learning (ART), a flexible pipeline of performing transfer learning with generic machine learning algorithms. We establish the non-asymptotic learning theory of ART, providing a provable theoretical guarantee for achieving adaptive transfer while preventing negative transfer. Additionally, we introduce an ART-integrated-aggregating machine that produces a single final model when multiple candidate algorithms are considered. We demonstrate the promising performance of ART through extensive empirical studies on regression, classification, and sparse learning. We further present a real-data analysis for a mortality study.
An Extensible Multimodal Multi-task Object Dataset with Materials
Standley, Trevor, Gao, Ruohan, Chen, Dawn, Wu, Jiajun, Savarese, Silvio
We present EMMa, an Extensible, Multimodal dataset of Amazon product listings that contains rich Material annotations. It contains more than 2.8 million objects, each with image(s), listing text, mass, price, product ratings, and position in Amazon's product-category taxonomy. Objects are annotated with one or more materials from this taxonomy. With the numerous attributes available for each object, we develop a Smart Labeling framework to quickly add new binary labels to all objects with very little manual labeling effort, making the dataset extensible. Each object attribute in our dataset can be included in either the model inputs or outputs, leading to combinatorial possibilities in task configurations. For example, we can train a model to predict the object category from the listing text, or the mass and price from the product listing image. EMMa offers a new benchmark for multi-task learning in computer vision and NLP, and allows practitioners to efficiently add new tasks and object attributes at scale. Perhaps the biggest problem faced by machine learning practitioners today is that of producing labeled datasets for their specific needs. Manually labeling large amounts of data is time-consuming and costly (Deng et al., 2009; Lin et al., 2014; Kuznetsova et al., 2020). Furthermore, it is often not possible to communicate how numerous ambiguous corner cases should be handled (e.g., is a hole puncher "sharp"?) to the human annotators we typically rely on to produce these labels. Could we solve this problem with the aid of machine learning? We hypothesized that we could accurately add new properties to every instance in a semi-automated fashion if given a rich dataset with substantial information about every instance. Consequently, we developed EMMa, a large, object-centric, multimodal, and multi-task dataset. We show that EMMa can be easily extended to contain any number of new object labels using a Smart Labeling technique we developed for large multi-task and multimodal datasets. Multi-task datasets contain labels for more than one attribute for each instance, whereas multimodal datasets contain data from more than one modality, such as images, text, audio, and tabular data. Derived from Amazon product listings, EMMa contains images, text, and a number of useful attributes, such as materials, mass, price, product category, and product ratings. Each attribute can be used as either a model input or a model output.
Leveraging Data Mining Algorithms to Recommend Source Code Changes
Naghshzan, AmirHossein, Khalilazar, Saeed, Poilane, Pierre, Baysal, Olga, Guerrouj, Latifa, Khomh, Foutse
Context: Recent research has used data mining to develop techniques that can guide developers through source code changes. To the best of our knowledge, very few studies have investigated data mining techniques and--or compared their results with other algorithms or a baseline. Objectives: This paper proposes an automatic method for recommending source code changes using four data mining algorithms. We not only use these algorithms to recommend source code changes, but we also conduct an empirical evaluation. Methods: Our investigation includes seven open-source projects from which we extracted source change history at the file level. We used four widely data mining algorithms \ie{} Apriori, FP-Growth, Eclat, and Relim to compare the algorithms in terms of performance (Precision, Recall and F-measure) and execution time. Results: Our findings provide empirical evidence that while some Frequent Pattern Mining algorithms, such as Apriori may outperform other algorithms in some cases, the results are not consistent throughout all the software projects, which is more likely due to the nature and characteristics of the studied projects, in particular their change history. Conclusion: Apriori seems appropriate for large-scale projects, whereas Eclat appears to be suitable for small-scale projects. Moreover, FP-Growth seems an efficient approach in terms of execution time.
Artificial Intelligence in Material Engineering: A review on applications of AI in Material Engineering
Goswami, Lipichanda, Deka, Manoj, Roy, Mohendra
The role of artificial intelligence (AI) in material science and engineering (MSE) is becoming increasingly important as AI technology advances. The development of high-performance computing has made it possible to test deep learning (DL) models with significant parameters, providing an opportunity to overcome the limitation of traditional computational methods, such as density functional theory (DFT), in property prediction. Machine learning (ML)-based methods are faster and more accurate than DFT-based methods. Furthermore, the generative adversarial networks (GANs) have facilitated the generation of chemical compositions of inorganic materials without using crystal structure information. These developments have significantly impacted material engineering (ME) and research. Some of the latest developments in AI in ME herein are reviewed. First, the development of AI in the critical areas of ME, such as in material processing, the study of structure and material property, and measuring the performance of materials in various aspects, is discussed. Then, the significant methods of AI and their uses in MSE, such as graph neural network, generative models, transfer of learning, etc. are discussed. The use of AI to analyze the results from existing analytical instruments is also discussed. Finally, AI's advantages, disadvantages, and future in ME are discussed.
Do Embodied Agents Dream of Pixelated Sheep: Embodied Decision Making using Language Guided World Modelling
Nottingham, Kolby, Ammanabrolu, Prithviraj, Suhr, Alane, Choi, Yejin, Hajishirzi, Hannaneh, Singh, Sameer, Fox, Roy
Reinforcement learning (RL) agents typically learn tabula rasa, without prior knowledge of the world. However, if initialized with knowledge of high-level subgoals and transitions between subgoals, RL agents could utilize this Abstract World Model (AWM) for planning and exploration. We propose using few-shot large language models (LLMs) to hypothesize an AWM, that will be verified through world experience, to improve sample efficiency of RL agents. Our DECKARD agent applies LLM-guided exploration to item crafting in Minecraft in two phases: (1) the Dream phase where the agent uses an LLM to decompose a task into a sequence of subgoals, the hypothesized AWM; and (2) the Wake phase where the agent learns a modular policy for each subgoal and verifies or corrects the hypothesized AWM. Our method of hypothesizing an AWM with LLMs and then verifying the AWM based on agent experience not only increases sample efficiency over contemporary methods by an order of magnitude but is also robust to and corrects errors in the LLM, successfully blending noisy internet-scale information from LLMs with knowledge grounded in environment dynamics.
Cluster Flow: how a hierarchical clustering layer make allows deep-NNs more resilient to hacking, more human-like and easily implements relational reasoning
Despite the huge recent breakthroughs in neural networks (NNs) for artificial intelligence (specifically deep convolutional networks) such NNs do not achieve human-level performance: they can be hacked by images that would fool no human and lack `common sense'. It has been argued that a basis of human-level intelligence is mankind's ability to perform relational reasoning: the comparison of different objects, measuring similarity, grasping of relations between objects and the converse, figuring out the odd one out in a set of objects. Mankind can even do this with objects they have never seen before. Here we show how ClusterFlow, a semi-supervised hierarchical clustering framework can operate on trained NNs utilising the rich multi-dimensional class and feature data found at the pre-SoftMax layer to build a hyperspacial map of classes/features and this adds more human-like functionality to modern deep convolutional neural networks. We demonstrate this with 3 tasks. 1. the statistical learning based `mistakes' made by infants when attending to images of cats and dogs. 2. improving both the resilience to hacking images and the accurate measure of certainty in deep-NNs. 3. Relational reasoning over sets of images, including those not known to the NN nor seen before. We also demonstrate that ClusterFlow can work on non-NN data and deal with missing data by testing it on a Chemistry dataset. This work suggests that modern deep NNs can be made more human-like without re-training of the NNs. As it is known that some methods used in deep and convolutional NNs are not biologically plausible or perhaps even the best approach: the ClusterFlow framework can sit on top of any NN and will be a useful tool to add as NNs are improved in this regard.
Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes
Zhu, Jianshen, Azam, Naveed Ahmed, Haraguchi, Kazuya, Zhao, Liang, Nagamochi, Hiroshi, Akutsu, Tatsuya
A novel framework for designing the molecular structure of chemical compounds with a desired chemical property has recently been proposed. The framework infers a desired chemical graph by solving a mixed integer linear program (MILP) that simulates the computation process of a feature function defined by a two-layered model on chemical graphs and a prediction function constructed by a machine learning method. To improve the learning performance of prediction functions in the framework, we design a method that splits a given data set $\mathcal{C}$ into two subsets $\mathcal{C}^{(i)},i=1,2$ by a hyperplane in a chemical space so that most compounds in the first (resp., second) subset have observed values lower (resp., higher) than a threshold $\theta$. We construct a prediction function $\psi$ to the data set $\mathcal{C}$ by combining prediction functions $\psi_i,i=1,2$ each of which is constructed on $\mathcal{C}^{(i)}$ independently. The results of our computational experiments suggest that the proposed method improved the learning performance for several chemical properties to which a good prediction function has been difficult to construct.