Felipe Oviedo

Siyu Isaac Parker Tian, Zekun Ren, Selvaraj Venkataraj et al.

Transfer learning increasingly becomes an important tool in handling data scarcity often encountered in machine learning. In the application of high-throughput thickness as a downstream process of the high-throughput optimization of optoelectronic thin films with autonomous workflows, data scarcity occurs especially for new materials. To achieve high-throughput thickness characterization, we propose a machine learning model called thicknessML that predicts thickness from UV-Vis spectrophotometry input and an overarching transfer learning workflow. We demonstrate the transfer learning workflow from generic source domain of generic band-gapped materials to specific target domain of perovskite materials, where the target domain data only come from limited number (18) of refractive indices from literature. The target domain can be easily extended to other material classes with a few literature data. Defining thickness prediction accuracy to be within-10% deviation, thicknessML achieves 92.2% (with a deviation of 3.6%) accuracy with transfer learning compared to 81.8% (with a deviation of 3.6%) 11.7% without (lower mean and larger standard deviation). Experimental validation on six deposited perovskite films also corroborates the efficacy of the proposed workflow by yielding a 10.5% mean absolute percentage error (MAPE).

Felipe Oviedo, Srinivas Vinnakota, Eugene Seleznev et al.

Millions of people around the world have low or no vision. Assistive software applications have been developed for a variety of day-to-day tasks, including optical character recognition, scene identification, person recognition, and currency recognition. This last task, the recognition of banknotes from different denominations, has been addressed by the use of computer vision models for image recognition. However, the datasets and models available for this task are limited, both in terms of dataset size and in variety of currencies covered. In this work, we collect a total of 24,826 images of banknotes in variety of assistive settings, spanning 17 currencies and 112 denominations. Using supervised contrastive learning, we develop a machine learning model for universal currency recognition. This model learns compliant embeddings of banknote images in a variety of contexts, which can be shared publicly (as a compressed vector representation), and can be used to train and test specialized downstream models for any currency, including those not covered by our dataset or for which only a few real images per denomination are available (few-shot learning). We deploy a variation of this model for public use in the last version of the Seeing AI app developed by Microsoft. We share our encoder model and the embeddings as an open dataset in our BankNote-Net repository.

Felipe Oviedo, Fiodar Kazhamiaka, Esha Choukse et al.

As AI inference scales to billions of queries and emerging reasoning and agentic workflows increase token demand, reliable estimates of per-query energy use are increasingly important for capacity planning, emissions accounting, and efficiency prioritization. Many public estimates are inconsistent and overstate energy use, because they extrapolate from limited benchmarks and fail to reflect efficiency gains achievable at scale. In this perspective, we introduce a bottom-up methodology to estimate the per-query energy of large-scale LLM systems based on token throughput. For models running on an H100 node under realistic workloads, GPU utilization and PUE constraints, we estimate a median energy per query of 0.34 Wh (IQR: 0.18-0.67) for frontier-scale models (>200 billion parameters). These results are consistent with measurements using production-scale configurations and show that non-production estimates and assumptions can overstate energy use by 4-20x. Extending to test-time scaling scenarios with 15x more tokens per typical query, the median energy rises 13x to 4.32 Wh, indicating that targeting efficiency in this regime will deliver the largest fleet-wide savings. We quantify achievable efficiency gains at the model, serving platform, and hardware levels, finding individual median reductions of 1.5-3.5x in energy per query, while combined advances can plausibly deliver 8-20x reductions. To illustrate the system-level impact, we estimate the baseline daily energy use of a deployment serving 1 billion queries to be 0.8 GWh/day. If 10% are long queries, demand could grow to 1.8 GWh/day. With targeted efficiency interventions, it falls to 0.9 GWh/day, similar to the energy footprint of web search at that scale. This echoes how data centers historically tempered energy growth through efficiency gains during the internet and cloud build-up.

Will Fein, Ryan J. Horwitz, John E. Brown et al.

The transnational ivory trade continues to drive the decline of elephant populations across Africa, and trafficking networks remain difficult to disrupt. Tusks seized by law enforcement officials carry forensic information on the traffickers responsible for their export, including DNA evidence and handwritten markings made by traffickers. For 20 years, analyses of tusk DNA have identified where elephants were poached and established connections among shipments of ivory. While the links established using genetic evidence are extremely conclusive, genetic data is expensive and sometimes impossible to obtain. But though handwritten markings are easy to photograph, they are rarely documented or analyzed. Here, we present an AI-driven pipeline for extracting and analyzing handwritten markings on seized elephant tusks, offering a novel, scalable, and low-cost source of forensic evidence. Having collected 6,085 photographs from eight large seizures of ivory over a 6-year period (2014-2019), we used an object detection model to extract over 17,000 individual markings, which were then labeled and described using state-of-the-art AI tools. We identified 184 recurring "signature markings" that connect the tusks on which they appear. 20 signature markings were observed in multiple seizures, establishing forensic links between these seizures through traffickers involved in both shipments. This work complements other investigative techniques by filling in gaps where other data sources are unavailable. The study demonstrates the transformative potential of AI in wildlife forensics and highlights practical steps for integrating handwriting analysis into efforts to disrupt organized wildlife crime.

Anthony Ortiz, Dhaval Negandhi, Sagar R Mysorekar et al.

Rapid development of renewable energy sources, particularly solar photovoltaics (PV), is critical to mitigate climate change. As a result, India has set ambitious goals to install 500 gigawatts of solar energy capacity by 2030. Given the large footprint projected to meet renewables energy targets, the potential for land use conflicts over environmental values is high. To expedite development of solar energy, land use planners will need access to up-to-date and accurate geo-spatial information of PV infrastructure. In this work, we developed a spatially explicit machine learning model to map utility-scale solar projects across India using freely available satellite imagery with a mean accuracy of 92%. Our model predictions were validated by human experts to obtain a dataset of 1363 solar PV farms. Using this dataset, we measure the solar footprint across India and quantified the degree of landcover modification associated with the development of PV infrastructure. Our analysis indicates that over 74% of solar development In India was built on landcover types that have natural ecosystem preservation, or agricultural value.

Felipe Oviedo, Juan Lavista Ferres, Tonio Buonassisi et al.

While the uptake of data-driven approaches for materials science and chemistry is at an exciting, early stage, to realise the true potential of machine learning models for successful scientific discovery, they must have qualities beyond purely predictive power. The predictions and inner workings of models should provide a certain degree of explainability by human experts, permitting the identification of potential model issues or limitations, building trust on model predictions and unveiling unexpected correlations that may lead to scientific insights. In this work, we summarize applications of interpretability and explainability techniques for materials science and chemistry and discuss how these techniques can improve the outcome of scientific studies. We discuss various challenges for interpretable machine learning in materials science and, more broadly, in scientific settings. In particular, we emphasize the risks of inferring causation or reaching generalization by purely interpreting machine learning models and the need of uncertainty estimates for model explanations. Finally, we showcase a number of exciting developments in other fields that could benefit interpretability in material science and chemistry problems.

Zekun Ren, Siyu Isaac Parker Tian, Juhwan Noh et al.

Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized invertible representation that encodes crystals in both real and reciprocal space, and a property-structured latent space from a variational autoencoder (VAE). In three design cases, the framework generates 142 new crystals with user-defined formation energies, bandgap, thermoelectric (TE) power factor, and combinations thereof. These generated crystals, absent in the training database, are validated by first-principles calculations. The success rates (number of first-principles-validated target-satisfying crystals/number of designed crystals) ranges between 7.1% and 38.9%. These results represent a significant step toward property-driven general inverse design using generative models, although practical challenges remain when coupled with experimental synthesis.

Felipe Oviedo, Zekun Ren, Shijing Sun et al.

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality and space group from a limited number of thin-film XRD patterns. We overcome the scarce-data problem intrinsic to novel materials development by coupling a supervised machine learning approach with a model agnostic, physics-informed data augmentation strategy using simulated data from the Inorganic Crystal Structure Database (ICSD) and experimental data. As a test case, 115 thin-film metal halides spanning 3 dimensionalities and 7 space-groups are synthesized and classified. After testing various algorithms, we develop and implement an all convolutional neural network, with cross validated accuracies for dimensionality and space-group classification of 93% and 89%, respectively. We propose average class activation maps, computed from a global average pooling layer, to allow high model interpretability by human experimentalists, elucidating the root causes of misclassification. Finally, we systematically evaluate the maximum XRD pattern step size (data acquisition rate) before loss of predictive accuracy occurs, and determine it to be 0.16°, which enables an XRD pattern to be obtained and classified in 5.5 minutes or less.