Topics in equilibrium and nonequilibrium thermodynamics: computing crystalline free energies and engineering Maxwell’s demon.

This dissertation covers two separate topics in statistical physics. The first part of the dissertation focuses on computational methods of obtaining the free energies (or partition functions) of crystalline solids. We describe a method to compute the Helmholtz free energy of a crystalline solid by direct evaluation of the partition function. In the many-dimensional conformation space of all possible arrangements of N particles inside a periodic box, the energy landscape consists of localized islands corresponding to different solid phases. Calculating the partition function for a specific phase involves integrating over the corresponding island. Introducing a natural order parameter that quantifies the net displacement of particles from lattices sites, we write the partition function in terms of a one-dimensional integral along the order parameter, and evaluate this integral using umbrella sampling. We validate the method by computing free energies of both face-centered cubic (FCC) and hexagonal close-packed (HCP) hard sphere crystals with a precision of $10^{-5}k_BT$ per particle. In developing the numerical method, we find several scaling properties of crystalline solids in the thermodynamic limit. Using these scaling properties, we derive an explicit asymptotic formula for the free energy per particle in the thermodynamic limit. In addition, we describe several changes of coordinates that can be used to separate internal degrees of freedom from external, translational degrees of freedom. The second part of the dissertation focuses on engineering idealized physical devices that work as Maxwell's demon. We describe two autonomous mechanical devices that extract energy from a single heat bath and convert it into work, while writing information onto memory registers. Additionally, both devices can operate as Landauer's eraser, namely they can erase information from a memory register, while energy is dissipated into the heat bath. The phase diagrams and the efficiencies of the two models are solved and analyzed. These two models provide concrete physical illustrations of the thermodynamic consequences of information processing.

Microblogging Temporal Summarization: Filtering Important Twitter Updates for Breaking News

While news stories are an important traditional medium to broadcast and consume news, microblogging has recently emerged as a place where people can dis- cuss, disseminate, collect or report information about news. However, the massive information in the microblogosphere makes it hard for readers to keep up with these real-time updates. This is especially a problem when it comes to breaking news, where people are more eager to know “what is happening”. Therefore, this dis- sertation is intended as an exploratory effort to investigate computational methods to augment human effort when monitoring the development of breaking news on a given topic from a microblog stream by extractively summarizing the updates in a timely manner. More specifically, given an interest in a topic, either entered as a query or presented as an initial news report, a microblog temporal summarization system is proposed to filter microblog posts from a stream with three primary concerns: topical relevance, novelty, and salience. Considering the relatively high arrival rate of microblog streams, a cascade framework consisting of three stages is proposed to progressively reduce quantity of posts. For each step in the cascade, this dissertation studies methods that improve over current baselines. In the relevance filtering stage, query and document expansion techniques are applied to mitigate sparsity and vocabulary mismatch issues. The use of word embedding as a basis for filtering is also explored, using unsupervised and supervised modeling to characterize lexical and semantic similarity. In the novelty filtering stage, several statistical ways of characterizing novelty are investigated and ensemble learning techniques are used to integrate results from these diverse techniques. These results are compared with a baseline clustering approach using both standard and delay-discounted measures. In the salience filtering stage, because of the real-time prediction requirement a method of learning verb phrase usage from past relevant news reports is used in conjunction with some standard measures for characterizing writing quality. Following a Cranfield-like evaluation paradigm, this dissertation includes a se- ries of experiments to evaluate the proposed methods for each step, and for the end- to-end system. New microblog novelty and salience judgments are created, building on existing relevance judgments from the TREC Microblog track. The results point to future research directions at the intersection of social media, computational jour- nalism, information retrieval, automatic summarization, and machine learning.

Modeling the Network of Dutch and Flemish Print Production, 1550-1750

The production of artistic prints in the sixteenth- and seventeenth-century Netherlands was an inherently social process. Turning out prints at any reasonable scale depended on the fluid coordination between designers, platecutters, and publishers; roles that, by the sixteenth century, were considered distinguished enough to merit distinct credits engraved on the plates themselves: invenit, fecit/sculpsit, and excudit. While any one designer, plate cutter, and publisher could potentially exercise a great deal of influence over the production of a single print, their individual decisions (Whom to select as an engraver? What subjects to create for a print design? What market to sell to?) would have been variously constrained or encouraged by their position in this larger network (Who do they already know? And who, in turn, do their contacts know?) This dissertation addresses the impact of these constraints and affordances through the novel application of computational social network analysis to major databases of surviving prints from this period. This approach is used to evaluate several questions about trends in early modern print production practices that have not been satisfactorily addressed by traditional literature based on case studies alone: Did the social capital demanded by print production result in centralized, or distributed production of prints? When, and to what extent, did printmakers and publishers in the Low countries favor international versus domestic collaborators? And were printmakers under the same pressure as painters to specialize in particular artistic genres? This dissertation ultimately suggests how simple professional incentives endemic to the practice of printmaking may, at large scales, have resulted in quite complex patterns of collaboration and production. The framework of network analysis surfaces the role of certain printmakers who tend to be neglected in aesthetically-focused histories of art. This approach also highlights important issues concerning art historians’ balancing of individual influence versus the impact of longue durée trends. Finally, this dissertation also raises questions about the current limitations and future possibilities of combining computational methods with cultural heritage datasets in the pursuit of historical research.

Anomaly Detection in Noisy Images

Finding rare events in multidimensional data is an important detection problem that has applications in many fields, such as risk estimation in insurance industry, finance, flood prediction, medical diagnosis, quality assurance, security, or safety in transportation. The occurrence of such anomalies is so infrequent that there is usually not enough training data to learn an accurate statistical model of the anomaly class. In some cases, such events may have never been observed, so the only information that is available is a set of normal samples and an assumed pairwise similarity function. Such metric may only be known up to a certain number of unspecified parameters, which would either need to be learned from training data, or fixed by a domain expert. Sometimes, the anomalous condition may be formulated algebraically, such as a measure exceeding a predefined threshold, but nuisance variables may complicate the estimation of such a measure. Change detection methods used in time series analysis are not easily extendable to the multidimensional case, where discontinuities are not localized to a single point. On the other hand, in higher dimensions, data exhibits more complex interdependencies, and there is redundancy that could be exploited to adaptively model the normal data. In the first part of this dissertation, we review the theoretical framework for anomaly detection in images and previous anomaly detection work done in the context of crack detection and detection of anomalous components in railway tracks. In the second part, we propose new anomaly detection algorithms. The fact that curvilinear discontinuities in images are sparse with respect to the frame of shearlets, allows us to pose this anomaly detection problem as basis pursuit optimization. Therefore, we pose the problem of detecting curvilinear anomalies in noisy textured images as a blind source separation problem under sparsity constraints, and propose an iterative shrinkage algorithm to solve it. Taking advantage of the parallel nature of this algorithm, we describe how this method can be accelerated using graphical processing units (GPU). Then, we propose a new method for finding defective components on railway tracks using cameras mounted on a train. We describe how to extract features and use a combination of classifiers to solve this problem. Then, we scale anomaly detection to bigger datasets with complex interdependencies. We show that the anomaly detection problem naturally fits in the multitask learning framework. The first task consists of learning a compact representation of the good samples, while the second task consists of learning the anomaly detector. Using deep convolutional neural networks, we show that it is possible to train a deep model with a limited number of anomalous examples. In sequential detection problems, the presence of time-variant nuisance parameters affect the detection performance. In the last part of this dissertation, we present a method for adaptively estimating the threshold of sequential detectors using Extreme Value Theory on a Bayesian framework. Finally, conclusions on the results obtained are provided, followed by a discussion of possible future work.

Efficient Image and Video Representations for Retrieval

Image (Video) retrieval is an interesting problem of retrieving images (videos) similar to the query. Images (Videos) are represented in an input (feature) space and similar images (videos) are obtained by finding nearest neighbors in the input representation space. Numerous input representations both in real valued and binary space have been proposed for conducting faster retrieval. In this thesis, we present techniques that obtain improved input representations for retrieval in both supervised and unsupervised settings for images and videos. Supervised retrieval is a well known problem of retrieving same class images of the query. We address the practical aspects of achieving faster retrieval with binary codes as input representations for the supervised setting in the first part, where binary codes are used as addresses into hash tables. In practice, using binary codes as addresses does not guarantee fast retrieval, as similar images are not mapped to the same binary code (address). We address this problem by presenting an efficient supervised hashing (binary encoding) method that aims to explicitly map all the images of the same class ideally to a unique binary code. We refer to the binary codes of the images as `Semantic Binary Codes' and the unique code for all same class images as `Class Binary Code'. We also propose a new class­ based Hamming metric that dramatically reduces the retrieval times for larger databases, where only hamming distance is computed to the class binary codes. We also propose a Deep semantic binary code model, by replacing the output layer of a popular convolutional Neural Network (AlexNet) with the class binary codes and show that the hashing functions learned in this way outperforms the state­ of ­the art, and at the same time provide fast retrieval times. In the second part, we also address the problem of supervised retrieval by taking into account the relationship between classes. For a given query image, we want to retrieve images that preserve the relative order i.e. we want to retrieve all same class images first and then, the related classes images before different class images. We learn such relationship aware binary codes by minimizing the similarity between inner product of the binary codes and the similarity between the classes. We calculate the similarity between classes using output embedding vectors, which are vector representations of classes. Our method deviates from the other supervised binary encoding schemes as it is the first to use output embeddings for learning hashing functions. We also introduce new performance metrics that take into account the related class retrieval results and show significant gains over the state­ of­ the art. High Dimensional descriptors like Fisher Vectors or Vector of Locally Aggregated Descriptors have shown to improve the performance of many computer vision applications including retrieval. In the third part, we will discuss an unsupervised technique for compressing high dimensional vectors into high dimensional binary codes, to reduce storage complexity. In this approach, we deviate from adopting traditional hyperplane hashing functions and instead learn hyperspherical hashing functions. The proposed method overcomes the computational challenges of directly applying the spherical hashing algorithm that is intractable for compressing high dimensional vectors. A practical hierarchical model that utilizes divide and conquer techniques using the Random Select and Adjust (RSA) procedure to compress such high dimensional vectors is presented. We show that our proposed high dimensional binary codes outperform the binary codes obtained using traditional hyperplane methods for higher compression ratios. In the last part of the thesis, we propose a retrieval based solution to the Zero shot event classification problem - a setting where no training videos are available for the event. To do this, we learn a generic set of concept detectors and represent both videos and query events in the concept space. We then compute similarity between the query event and the video in the concept space and videos similar to the query event are classified as the videos belonging to the event. We show that we significantly boost the performance using concept features from other modalities.