The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.

In this paper, we measured the privacy budgets and utilities of different differentially private mechanisms combined with different machine learning models that forecast traffic congestion at future timestamps. We expected the ANNs combined with the Staircase mechanism to perform the best with every value in the privacy budget range, especially with the medium high values of the privacy budget. In this study, we used the Autoregressive Integrated Moving Average (ARIMA) and neural network models to forecast and then added differentially private Laplacian, Gaussian, and Staircase noise to our datasets. We tested two real traffic congestion datasets, experimented with the different models, and examined their utility for different privacy budgets. We found that a favorable combination for this application was neural networks with the Staircase mechanism. Our findings identify the optimal models when dealing with tricky time series forecasting and can be used in non-traffic applications like disease tracking and population growth.

Though current strategies in counterterrorism are somewhat effective, the Simultaneous Attack/Persistent Pursuit (SAPP) Theory may be superior alternative to current methods. The authors simulated five attack strategies (1 SAPP and 4 non-SAPP), and concluded that the SAPP model was significantly more effective in reducing the final number of terrorist attacks. This demonstrates the comparative advantage of utilizing the SAPP model, which may prove to be critical in future efforts in counterterrorism.

Natural selection shapes the evolution of all organisms, and one question of interest is whether natural selection will reach a "stopping point": a stable, ideal, value for any particular trait. Madhan and Kanagavel tackle this question by building a computer simulation of trait evolution in organisms.

Osteosarcoma is a type of bone cancer that affects young adults and children. Early diagnosis of osteosarcoma is crucial to successful treatment. The current methods of diagnosis, which include imaging tests and biopsy, are time consuming and prone to human error. Hence, we used deep learning to extract patterns and detect osteosarcoma from histological images. We hypothesized that the combination of two different technologies (transfer learning and data augmentation) would improve the efficacy of osteosarcoma detection in histological images. The dataset used for the study consisted of histological images for osteosarcoma and was quite imbalanced as it contained very few images with tumors. Since transfer learning uses existing knowledge for the purpose of classification and detection, we hypothesized it would be proficient on such an imbalanced dataset. To further improve our learning, we used data augmentation to include variations in the dataset. We further evaluated the efficacy of different convolutional neural network models on this task. We obtained an accuracy of 91.18% using the transfer learning model MobileNetV2 as the base model with various geometric transformations, outperforming the state-of-the-art convolutional neural network based approach.

As digital tools become more prevalent in medicine, the ability for individuals to understand and take actions based on what they read on the internet is crucial. eHealth literacy is defined as as the ability to seek, find, understand, and evaluate health information from electronic sources and apply the knowledge gained to addressing or solving a health problem. In general, Americans have low eHealth literacy rates. However, limited research has been conducted to understand the eHealth literacy level among older Chinese adult immigrants in the U.S. To determine the eHealth literacy of elderly Chinese immigrants, we sent out an eHealth survey and relevant computer skills survey using a modified version of the eHEALS (eHealth Literacy Scale) health literacy test. We hypothesized that elders who consumed more electronic health content would have a higher eHealth literacy score. The results of this survey showed that there was a positive correlation between the frequency of electronic health information consumption and the participant's eHealth literacy rate. In addition, the results of our computer literacy test show that the frequency of consumption and computer literacy are positively correlated as well. There is a strong positive correlation between the level of computer skills and eHealth literacy of participants. These results reveal possible steps individuals can take to reduce health misinformation and improve their own health by attaining, understanding, and taking action on health material on the internet.

Here, the authors sought to identify a method to optimize the lift generated by an airfoil based solely on its shape. By beginning with a Bernoullian model to predict an optimized wing shape, the authors then tested their model against other possible shapes by constructing them from Styrofoam and testing them in a small wind tunnel. Contrary to their hypothesis, they found their expected optimal airfoil shape did not result in the greatest lift generation. They attributed this to a variety of confounding variables and concluded that their results pointed to a correlation between airfoil shape and lift generation.

The application of machine learning techniques has facilitated the automatic annotation of behavior in video sequences, offering a promising approach for ethological studies by reducing the manual effort required for annotating each video frame. Nevertheless, before solely relying on machine-generated annotations, it is essential to evaluate the accuracy of these annotations to ensure their reliability and applicability. While it is conventionally accepted that there cannot be a perfect annotation, the degree of error associated with machine-generated annotations should be commensurate with the error between different human annotators. We hypothesized that machine learning supervised with adequate human annotations would be able to accurately predict body parts from video sequences. Here, we conducted a comparative analysis of the quality of annotations generated by humans and machines for the body parts of sheep during treadmill walking. For human annotation, two annotators manually labeled six body parts of sheep in 300 frames. To generate machine annotations, we employed the state-of-the-art pose-estimating library, DeepLabCut, which was trained using the frames annotated by human annotators. As expected, the human annotations demonstrated high consistency between annotators. Notably, the machine learning algorithm also generated accurate predictions, with errors comparable to those between humans. We also observed that abnormal annotations with a high error could be revised by introducing Kalman Filtering, which interpolates the trajectory of body parts over the time series, enhancing robustness. Our results suggest that conventional transfer learning methods can generate behavior annotations as accurate as those made by humans, presenting great potential for further research.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

Metal-organic frameworks (MOFs) are promising new nanomaterials for use in the fight against climate change that can efficiently capture and convert CO₂ to other useful carbon products. This research used computational models to determine the reaction conditions under which MOFs can more efficiently capture and convert CO₂. In a cost-efficient manner, this analysis tested the hypothesis that pressure and temperature affect the efficacy of carbon capture and conversion, and contribute to understanding the optimal conditions for MOF performance to improve the use of MOFs for controlling greenhouse CO₂ emissions.