Physical Sciences and Mathematics Commons^™

Evolution Of Bias In Human And Machine Learning Algorithm Interaction, Wenlong Sun, Olfa Nasraoui, Patrick Shafto

Commonwealth Computational Summit

Human algorithm interaction:

• people are now affected by the output of all types of machine learning algorithms.
• social media, blogs, social networks, and other services and applications.

Motivation:

• ML algorithm relied on reliable labels from experts to build prediction.
• However, ML algorithm started to receive data from the more general population.
• The interaction leads to biased result which is caused by ingesting unchecked information from general population, such as biased samples and biased labels.

Applying Machine Learning To Computational Chemistry: Can We Predict Molecular Properties Faster Without Compromising Accuracy?, Hanjing Xu, Pradeep Gurunathan, Lyudmila Slipchenko

The Summer Undergraduate Research Fellowship (SURF) Symposium

Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions using quantum-mechanical formulations. Our group has proposed previously that the effective fragment potential (EFP) method could serve as an efficient alternative to solve this problem. However, one of the computational bottlenecks of the EFP method is obtaining parameters for each molecule/fragment in the system, before the actual EFP simulations can be carried out. Here we present a …

Machine Learning In Xenon1t Analysis, Dillon A. Davis, Rafael F. Lang, Darryl P. Masson

The Summer Undergraduate Research Fellowship (SURF) Symposium

In process of analyzing large amounts of quantitative data, it can be quite time consuming and challenging to uncover populations of interest contained amongst the background data. Therefore, the ability to partially automate the process while gaining additional insight into the interdependencies of key parameters via machine learning seems quite appealing. As of now, the primary means of reviewing the data is by manually plotting data in different parameter spaces to recognize key features, which is slow and error prone. In this experiment, many well-known machine learning algorithms were applied to a dataset to attempt to semi-automatically identify known populations, …

Predicting Locations Of Pollution Sources Using Convolutional Neural Networks, Yiheng Chi, Nickolas D. Winovich, Guang Lin

The Summer Undergraduate Research Fellowship (SURF) Symposium

Pollution is a severe problem today, and the main challenge in water and air pollution controls and eliminations is detecting and locating pollution sources. This research project aims to predict the locations of pollution sources given diffusion information of pollution in the form of array or image data. These predictions are done using machine learning. The relations between time, location, and pollution concentration are first formulated as pollution diffusion equations, which are partial differential equations (PDEs), and then deep convolutional neural networks are built and trained to solve these PDEs. The convolutional neural networks consist of convolutional layers, reLU layers …

Bayesian Optimization For Refining Object Proposals, With An Application To Pedestrian Detection, Anthony D. Rhodes

Student Research Symposium

We devise an algorithm using a Bayesian optimization framework in conjunction with contextual visual data for the efficient localization of objects in still images. Recent research has demonstrated substantial progress in object localization and related tasks for computer vision. However, many current state-of-the-art object localization procedures still suffer from inaccuracy and inefficiency, in addition to failing to successfully leverage contextual data. We address these issues with the current research.

Our method encompasses an active search procedure that uses contextual data to generate initial bounding-box proposals for a target object. We train a convolutional neural network to approximate an offset distance …