Materials
A trusty robot to carry farms into the future
Farming is a tough business. Global food demand is surging, with as many as 10 billion mouths to feed by 2050. At the same time, environmental challenges and labor limitations have made the future uncertain for agricultural managers. A new company called Future Acres proposed to enable farmers to do more with less through the power of robots. The company, helmed by CEO Suma Reddy, who previously served as COO and co-founder at Farmself and has held multiple roles and lead companies focused on the agtech space, has created an autonomous, electric agricultural robotic harvest companion named Carry to help farmers gather hand-picked crops faster and with less physical demand. Automation has been playing an increasingly large role in agriculture, and agricultural robots are widely expected to play a critical role in food production going forward.
How explainable artificial intelligence can help humans innovate
The field of artificial intelligence (AI) has created computers that can drive cars, synthesize chemical compounds, fold proteins and detect high-energy particles at a superhuman level. However, these AI algorithms cannot explain the thought processes behind their decisions. A computer that masters protein folding and also tells researchers more about the rules of biology is much more useful than a computer that folds proteins without explanation. Therefore, AI researchers like me are now turning our efforts toward developing AI algorithms that can explain themselves in a manner that humans can understand. If we can do this, I believe that AI will be able to uncover and teach people new facts about the world that have not yet been discovered, leading to new innovations.
Pattern Sampling for Shapelet-based Time Series Classification
Subsequence-based time series classification algorithms provide accurate and interpretable models, but training these models is extremely computation intensive. The asymptotic time complexity of subsequence-based algorithms remains a higher-order polynomial, because these algorithms are based on exhaustive search for highly discriminative subsequences. Pattern sampling has been proposed as an effective alternative to mitigate the pattern explosion phenomenon. Therefore, we employ pattern sampling to extract discriminative features from discretized time series data. A weighted trie is created based on the discretized time series data to sample highly discriminative patterns. These sampled patterns are used to identify the shapelets which are used to transform the time series classification problem into a feature-based classification problem. Finally, a classification model can be trained using any off-the-shelf algorithm. Creating a pattern sampler requires a small number of patterns to be evaluated compared to an exhaustive search as employed by previous approaches. Compared to previously proposed algorithms, our approach requires considerably less computational and memory resources. Experiments demonstrate how the proposed approach fares in terms of classification accuracy and runtime performance.
Artificial intelligence in new field
Artificial intelligence already is making strides in the development of new drugs, and now the pesticide industry wants in on the action. Switzerland's Syngenta has teamed up with Insilico Medicine to use its deep-learning tools to produce sustainable weedkillers. As well as taking on some of the early-stage work traditionally conducted in a lab, AI could design molecules used in crop-protection tools that are more sustainable and environmentally friendly, the companies said last week. AI is among new methods emerging as environmental and health concerns spur a quest for sustainable alternatives to traditional pesticides used by farmers. Demand also is being supported by regulatory pressures and lawsuits, most notably Bayer's $11 billion settlement deal over claims its long-used glyphosate herbicide causes cancer.
Origami-like patch could help robot surgeons repair internal injuries
Robot surgeons could one day have an easy way to mend internal injuries with minimal impact. MIT researchers have developed an "origami-inspired," biodegradable medical patch that can be folded around a robot's minimally invasive surgical tools to seal internal damage. While bioadhesive patches are already in use for this kind of surgery, they can create flawed seals and even do their own damage, like inflammation and scar tissue. MIT's design solves these issues through a three-layer patch with a hydrogel-based adhesive, a silicone oil-coated material to prevent unintended sticking and an elastomer outer layer whose zwitterionic nature (that is, a molecular chain with positive and negative ions) protects the patch against bacteria. The result is a tape that easily wraps around robotic tools while adhering strongly to tissue, even after it has been immersed in fluid for long periods.
Machine learning made easy for optimizing chemical reactions
The optimization of reactions used to synthesize target compounds is pivotal to chemical research and discovery, whether in developing a route for manufacturing a life-saving medicine1 or unlocking the potential of a new material2. But reaction optimization requires iterative experiments to balance the often conflicting effects of numerous coupled variables, and frequently involves finding the sweet spot among thousands of possible sets of experimental conditions. Expert synthetic chemists currently navigate this expansive experimental void using simplified model reactions, heuristic approaches and intuition derived from observation of experimental data3. Writing in Nature, Shields et al.4 report machine-learning software that can optimize diverse classes of reaction with fewer iterations, on average, than are needed by humans. Machine learning has emerged as a useful tool for various aspects of chemical synthesis, because it is ideally suited to extrapolating predictive models that are used to solve synthetic problems by recognizing patterns in multidimensional data sets5.
An efficient optimization based microstructure reconstruction approach with multiple loss functions
Bhaduri, Anindya, Gupta, Ashwini, Olivier, Audrey, Graham-Brady, Lori
Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of microstructures without having to perform exhaustive and costly experimental characterizations. Statistical functions-based and deep learning-based methods are among the stochastic microstructure reconstruction approaches applicable to a wide range of material systems. In this paper, we integrate statistical descriptors as well as feature maps from a pre-trained deep neural network into an overall loss function for an optimization based reconstruction procedure. This helps us to achieve significant computational efficiency in reconstructing microstructures that retain the critically important physical properties of the target microstructure. A numerical example for the microstructure reconstruction of bi-phase random porous ceramic material demonstrates the efficiency of the proposed methodology. We further perform a detailed finite element analysis (FEA) of the reconstructed microstructures to calculate effective elastic modulus, effective thermal conductivity and effective hydraulic conductivity, in order to analyse the algorithm's capacity to capture the variability of these material properties with respect to those of the target microstructure. This method provides an economic, efficient and easy-to-use approach for reconstructing random multiphase materials in 2D which has the potential to be extended to 3D structures.
Hybrid consistency and plausibility verification of product data according to FIC
The labelling of food products in the EU is regulated by the Food Information of Customers (FIC). Companies are required to provide the corresponding information regarding nutrients and allergens among others. With the rise of e-commerce more and more food products are sold online. There are often errors in the online product descriptions regarding the FIC-relevant information due to low data quality in the vendors' product data base. In this paper we propose a hybrid approach of both rule-based and machine learning to verify nutrient declaration and allergen labelling according to FIC requirements. Special focus is given to the problem of false negatives in allergen prediction since this poses a significant health risk to customers. Results show that a neural net trained on a subset of the ingredients of a product is capable of predicting the allergens contained with a high reliability.
Unassisted Noise Reduction of Chemical Reaction Data Sets
Toniato, Alessandra, Schwaller, Philippe, Cardinale, Antonio, Geluykens, Joppe, Laino, Teodoro
Existing deep learning models applied to reaction prediction in organic chemistry can reach high levels of accuracy (> 90% for Natural Language Processing-based ones). With no chemical knowledge embedded than the information learnt from reaction data, the quality of the data sets plays a crucial role in the performance of the prediction models. While human curation is prohibitively expensive, the need for unaided approaches to remove chemically incorrect entries from existing data sets is essential to improve artificial intelligence models' performance in synthetic chemistry tasks. Here we propose a machine learning-based, unassisted approach to remove chemically wrong entries from chemical reaction collections. We applied this method to the collection of chemical reactions Pistachio and to an open data set, both extracted from USPTO (United States Patent Office) patents. Our results show an improved prediction quality for models trained on the cleaned and balanced data sets. For the retrosynthetic models, the round-trip accuracy metric grows by 13 percentage points and the value of the cumulative Jensen Shannon divergence decreases by 30% compared to its original record. The coverage remains high with 97%, and the value of the class-diversity is not affected by the cleaning. The proposed strategy is the first unassisted rule-free technique to address automatic noise reduction in chemical data sets.