Andrea L. Bertozzi

David J. Arnold, Dayne Fernandez, Ruizhe Jia et al.

National parks often serve as hotspots for environmental crime such as illegal deforestation and animal poaching. Previous attempts to model environmental crime were either discrete and network-based or required very restrictive assumptions on the geometry of the protected region and made heavy use of radial symmetry. We formulate a level set method to track criminals inside a protected region which uses real elevation data to determine speed of travel, does not require any assumptions of symmetry, and can be applied to regions of arbitrary shape. In doing so, we design a Hamilton-Jacobi equation to describe movement of criminals while also incorporating the effects of patrollers who attempt to deter the crime. We discuss the numerical schemes that we use to solve this Hamilton-Jacobi equation. Finally, we apply our method to Yosemite National Park and Kangaroo Island, Australia and design practical patrol strategies with the goal of minimizing the area that is affected by criminal activity.

James Chapman, Bohan Chen, Zheng Tan et al.

Active learning improves the performance of machine learning methods by judiciously selecting a limited number of unlabeled data points to query for labels, with the aim of maximally improving the underlying classifier's performance. Recent gains have been made using sequential active learning for synthetic aperture radar (SAR) data arXiv:2204.00005. In each iteration, sequential active learning selects a query set of size one while batch active learning selects a query set of multiple datapoints. While batch active learning methods exhibit greater efficiency, the challenge lies in maintaining model accuracy relative to sequential active learning methods. We developed a novel, two-part approach for batch active learning: Dijkstra's Annulus Core-Set (DAC) for core-set generation and LocalMax for batch sampling. The batch active learning process that combines DAC and LocalMax achieves nearly identical accuracy as sequential active learning but is more efficient, proportional to the batch size. As an application, a pipeline is built based on transfer learning feature embedding, graph learning, DAC, and LocalMax to classify the FUSAR-Ship and OpenSARShip datasets. Our pipeline outperforms the state-of-the-art CNN-based methods.

Justin Baker, Hedi Xia, Yiwei Wang et al.

Learning neural ODEs often requires solving very stiff ODE systems, primarily using explicit adaptive step size ODE solvers. These solvers are computationally expensive, requiring the use of tiny step sizes for numerical stability and accuracy guarantees. This paper considers learning neural ODEs using implicit ODE solvers of different orders leveraging proximal operators. The proximal implicit solver consists of inner-outer iterations: the inner iterations approximate each implicit update step using a fast optimization algorithm, and the outer iterations solve the ODE system over time. The proximal implicit ODE solver guarantees superiority over explicit solvers in numerical stability and computational efficiency. We validate the advantages of proximal implicit solvers over existing popular neural ODE solvers on various challenging benchmark tasks, including learning continuous-depth graph neural networks and continuous normalizing flows.

Brendon G. Anderson, Eva Loeser, Marissa Gee et al.

In the field of swarm robotics, the design and implementation of spatial density control laws has received much attention, with less emphasis being placed on performance evaluation. This work fills that gap by introducing an error metric that provides a quantitative measure of coverage for use with any control scheme. The proposed error metric is continuously sensitive to changes in the swarm distribution, unlike commonly used discretization methods. We analyze the theoretical and computational properties of the error metric and propose two benchmarks to which error metric values can be compared. The first uses the realizable extrema of the error metric to compute the relative error of an observed swarm distribution. We also show that the error metric extrema can be used to help choose the swarm size and effective radius of each robot required to achieve a desired level of coverage. The second benchmark compares the observed distribution of error metric values to the probability density function of the error metric when robot positions are randomly sampled from the target distribution. We demonstrate the utility of this benchmark in assessing the performance of stochastic control algorithms. We prove that the error metric obeys a central limit theorem, develop a streamlined method for performing computations, and place the standard statistical tests used here on a firm theoretical footing. We provide rigorous theoretical development, computational methodologies, numerical examples, and MATLAB code for both benchmarks.

Bohan Chen, Andrea L. Bertozzi

Traditional methods of linking large language models (LLMs) to knowledge bases via the semantic similarity search often fall short of capturing complex relational dynamics. To address these limitations, we introduce AutoKG, a lightweight and efficient approach for automated knowledge graph (KG) construction. For a given knowledge base consisting of text blocks, AutoKG first extracts keywords using a LLM and then evaluates the relationship weight between each pair of keywords using graph Laplace learning. We employ a hybrid search scheme combining vector similarity and graph-based associations to enrich LLM responses. Preliminary experiments demonstrate that AutoKG offers a more comprehensive and interconnected knowledge retrieval mechanism compared to the semantic similarity search, thereby enhancing the capabilities of LLMs in generating more insightful and relevant outputs.

Fan Jia, Yuhao Huang, Shih-Hsin Wang et al.

Flow matching-based generative models have been integrated into the plug-and-play image restoration framework, and the resulting plug-and-play flow matching (PnP-Flow) model has achieved some remarkable empirical success for image restoration. However, the theoretical understanding of PnP-Flow lags its empirical success. In this paper, we derive a continuous limit for PnP-Flow, resulting in a stochastic differential equation (SDE) surrogate model of PnP-Flow. The SDE model provides two particular insights to improve PnP-Flow for image restoration: (1) It enables us to quantify the error for image restoration, informing us to improve step scheduling and regularize the Lipschitz constant of the neural network-parameterized vector field for error reduction. (2) It informs us to accelerate off-the-shelf PnP-Flow models via extrapolation, resulting in a rescaled version of the proposed SDE model. We validate the efficacy of the SDE-informed improved PnP-Flow using several benchmark tasks, including image denoising, deblurring, super-resolution, and inpainting. Numerical results show that our method significantly outperforms the baseline PnP-Flow and other state-of-the-art approaches, achieving superior performance across evaluation metrics.

Zheng Tan, Weizhen Wang, Andrea L. Bertozzi et al.

Diffusion models (DMs) and flow-matching models have demonstrated remarkable performance in image and video generation. However, such models require a significant number of function evaluations (NFEs) during sampling, leading to costly inference. Consequently, quality-preserving fast sampling methods that require fewer NFEs have been an active area of research. However, prior training-free sampling methods fail to simultaneously address two key challenges: the stiffness of the ODE (i.e., the non-straightness of the velocity field) and dependence on the semi-linear structure of the DM ODE (which limits their direct applicability to flow-matching models). In this work, we introduce the Stabilized Taylor Orthogonal Runge--Kutta (STORK) method, addressing both design concerns. We demonstrate that STORK consistently improves the quality of diffusion and flow-matching sampling for image and video generation. Code is available at https://github.com/ZT220501/STORK.

Annie Lu, Hong Kiat Tan, Alexander Xue et al.

The 2023 Lahaina wildfire killed 101 people on a peninsula served by a single two-lane highway, making exit lane capacity the binding constraint on evacuation time. We model the evacuation as a system of hyperbolic scalar conservation laws on a directed graph with game-theoretic junction conditions that maximize total network flux, an evacuation-calibrated piecewise linear-quadratic flux function, and a loss-driven optimization framework that tunes traffic distribution toward priority corridors. Analytical results on a toy network and numerical simulations of the Lahaina road network reveal a phase transition in exit lane capacity. Additional lanes improve throughput linearly until a computable critical threshold, beyond which no route optimization yields further benefit. For Lahaina, reversing one southbound lane captures nearly all achievable improvement, and a fourth lane can be reserved for emergency vehicles with negligible impact on civilian clearance time. These results provide a rigorous mathematical basis for contraflow recommendations in wildland-urban interface evacuations.

Hedi Xia, Vai Suliafu, Hangjie Ji et al.

We propose heavy ball neural ordinary differential equations (HBNODEs), leveraging the continuous limit of the classical momentum accelerated gradient descent, to improve neural ODEs (NODEs) training and inference. HBNODEs have two properties that imply practical advantages over NODEs: (i) The adjoint state of an HBNODE also satisfies an HBNODE, accelerating both forward and backward ODE solvers, thus significantly reducing the number of function evaluations (NFEs) and improving the utility of the trained models. (ii) The spectrum of HBNODEs is well structured, enabling effective learning of long-term dependencies from complex sequential data. We verify the advantages of HBNODEs over NODEs on benchmark tasks, including image classification, learning complex dynamics, and sequential modeling. Our method requires remarkably fewer forward and backward NFEs, is more accurate, and learns long-term dependencies more effectively than the other ODE-based neural network models. Code is available at \url{https://github.com/hedixia/HeavyBallNODE}.

Tan M. Nguyen, Richard G. Baraniuk, Andrea L. Bertozzi et al.

Designing deep neural networks is an art that often involves an expensive search over candidate architectures. To overcome this for recurrent neural nets (RNNs), we establish a connection between the hidden state dynamics in an RNN and gradient descent (GD). We then integrate momentum into this framework and propose a new family of RNNs, called {\em MomentumRNNs}. We theoretically prove and numerically demonstrate that MomentumRNNs alleviate the vanishing gradient issue in training RNNs. We study the momentum long-short term memory (MomentumLSTM) and verify its advantages in convergence speed and accuracy over its LSTM counterpart across a variety of benchmarks. We also demonstrate that MomentumRNN is applicable to many types of recurrent cells, including those in the state-of-the-art orthogonal RNNs. Finally, we show that other advanced momentum-based optimization methods, such as Adam and Nesterov accelerated gradients with a restart, can be easily incorporated into the MomentumRNN framework for designing new recurrent cells with even better performance. The code is available at https://github.com/minhtannguyen/MomentumRNN.

Thu Dinh, Bao Wang, Andrea L. Bertozzi et al.

Deep neural nets (DNNs) compression is crucial for adaptation to mobile devices. Though many successful algorithms exist to compress naturally trained DNNs, developing efficient and stable compression algorithms for robustly trained DNNs remains widely open. In this paper, we focus on a co-design of efficient DNN compression algorithms and sparse neural architectures for robust and accurate deep learning. Such a co-design enables us to advance the goal of accommodating both sparsity and robustness. With this objective in mind, we leverage the relaxed augmented Lagrangian based algorithms to prune the weights of adversarially trained DNNs, at both structured and unstructured levels. Using a Feynman-Kac formalism principled robust and sparse DNNs, we can at least double the channel sparsity of the adversarially trained ResNet20 for CIFAR10 classification, meanwhile, improve the natural accuracy by $8.69$\% and the robust accuracy under the benchmark $20$ iterations of IFGSM attack by $5.42$\%. The code is available at \url{https://github.com/BaoWangMath/rvsm-rgsm-admm}.

Torin Gerhart, Justin Sunu, Ekaterina Merkurjev et al.

Automated detection of chemical plumes presents a segmentation challenge. The segmentation problem for gas plumes is difficult due to the diffusive nature of the cloud. The advantage of considering hyperspectral images in the gas plume detection problem over the conventional RGB imagery is the presence of non-visual data, allowing for a richer representation of information. In this paper we present an effective method of visualizing hyperspectral video sequences containing chemical plumes and investigate the effectiveness of segmentation techniques on these post-processed videos. Our approach uses a combination of dimension reduction and histogram equalization to prepare the hyperspectral videos for segmentation. First, Principal Components Analysis (PCA) is used to reduce the dimension of the entire video sequence. This is done by projecting each pixel onto the first few Principal Components resulting in a type of spectral filter. Next, a Midway method for histogram equalization is used. These methods redistribute the intensity values in order to reduce flicker between frames. This properly prepares these high-dimensional video sequences for more traditional segmentation techniques. We compare the ability of various clustering techniques to properly segment the chemical plume. These include K-means, spectral clustering, and the Ginzburg-Landau functional.

Harris Hardiman-Mostow, Jack Mauro, Adrien Weihs et al.

We propose a graph-topological approach to active learning that directly targets the core challenge of exploration versus exploitation under scarce label budgets. To guide exploration, we introduce a coreset construction algorithm based on Balanced Forman Curvature (BFC), which selects representative initial labels that reflect the graph's cluster structure. This method includes a data-driven stopping criterion that signals when the graph has been sufficiently explored. We further use BFC to dynamically trigger the shift from exploration to exploitation within active learning routines, replacing hand-tuned heuristics. To improve exploitation, we introduce a localized graph rewiring strategy that efficiently incorporates multiscale information around labeled nodes, enhancing label propagation while preserving sparsity. Experiments on benchmark classification tasks show that our methods consistently outperform existing graph-based semi-supervised baselines at low label rates.

Starlika Bauskar, Jade Jiao, Narayanan Kannan et al.

Machine-learning methods in biochemistry commonly represent molecules as graphs of pairwise intermolecular interactions for property and structure predictions. Most methods operate on a single graph, typically the minimal free energy (MFE) structure, for low-energy ensembles (conformations) representative of structures at thermodynamic equilibrium. We introduce a thermodynamically parameterized exponential-family random graph (ERGM) embedding that models molecules as Boltzmann-weighted ensembles of interaction graphs. We evaluate this embedding on SELEX datasets, where experimental biases (e.g., PCR amplification or sequencing noise) can obscure true aptamer-ligand affinity, producing anomalous candidates whose observed abundance diverges from their actual binding strength. We show that the proposed embedding enables robust community detection and subgraph-level explanations for aptamer ligand affinity, even in the presence of biased observations. This approach may be used to identify low-abundance aptamer candidates for further experimental evaluation.

Jason Brown, Bohan Chen, Harris Hardiman-Mostow et al.

Standard deep learning architectures used for classification generate label predictions with a projection head and softmax activation function. Although successful, these methods fail to leverage the relational information between samples in the batch for generating label predictions. In recent works, graph-based learning techniques, namely Laplace learning, have been heuristically combined with neural networks for both supervised and semi-supervised learning (SSL) tasks. However, prior works approximate the gradient of the loss function with respect to the graph learning algorithm or decouple the processes; end-to-end integration with neural networks is not achieved. In this work, we derive backpropagation equations, via the adjoint method, for inclusion of a general family of graph learning layers into a neural network. This allows us to precisely integrate graph Laplacian-based label propagation into a neural network layer, replacing a projection head and softmax activation function for classification tasks. Using this new framework, our experimental results demonstrate smooth label transitions across data, improved robustness to adversarial attacks, improved generalization, and improved training dynamics compared to the standard softmax-based approach.

Xinyi Leng, Jason Liang, Jack Mauro et al.

Narrative data spans all disciplines and provides a coherent model of the world to the reader or viewer. Recent advancement in machine learning and Large Language Models (LLMs) have enable great strides in analyzing natural language. However, Large language models (LLMs) still struggle with complex narrative arcs as well as narratives containing conflicting information. Recent work indicates LLMs augmented with external knowledge bases can improve the accuracy and interpretability of the resulting models. In this work, we analyze the effectiveness of applying knowledge graphs (KGs) in understanding true-crime podcast data from both classical Natural Language Processing (NLP) and LLM approaches. We directly compare KG-augmented LLMs (KGLLMs) with classical methods for KG construction, topic modeling, and sentiment analysis. Additionally, the KGLLM allows us to query the knowledge base in natural language and test its ability to factually answer questions. We examine the robustness of the model to adversarial prompting in order to test the model's ability to deal with conflicting information. Finally, we apply classical methods to understand more subtle aspects of the text such as the use of hearsay and sentiment in narrative construction and propose future directions. Our results indicate that KGLLMs outperform LLMs on a variety of metrics, are more robust to adversarial prompts, and are more capable of summarizing the text into topics.

Tan M. Nguyen, Tam Nguyen, Nhat Ho et al.

Self-attention is key to the remarkable success of transformers in sequence modeling tasks including many applications in natural language processing and computer vision. Like neural network layers, these attention mechanisms are often developed by heuristics and experience. To provide a principled framework for constructing attention layers in transformers, we show that the self-attention corresponds to the support vector expansion derived from a support vector regression problem, whose primal formulation has the form of a neural network layer. Using our framework, we derive popular attention layers used in practice and propose two new attentions: 1) the Batch Normalized Attention (Attention-BN) derived from the batch normalization layer and 2) the Attention with Scaled Head (Attention-SH) derived from using less training data to fit the SVR model. We empirically demonstrate the advantages of the Attention-BN and Attention-SH in reducing head redundancy, increasing the model's accuracy, and improving the model's efficiency in a variety of practical applications including image and time-series classification.

Kevin Miller, John Mauro, Jason Setiadi et al.

We present a novel method for classification of Synthetic Aperture Radar (SAR) data by combining ideas from graph-based learning and neural network methods within an active learning framework. Graph-based methods in machine learning are based on a similarity graph constructed from the data. When the data consists of raw images composed of scenes, extraneous information can make the classification task more difficult. In recent years, neural network methods have been shown to provide a promising framework for extracting patterns from SAR images. These methods, however, require ample training data to avoid overfitting. At the same time, such training data are often unavailable for applications of interest, such as automatic target recognition (ATR) and SAR data. We use a Convolutional Neural Network Variational Autoencoder (CNNVAE) to embed SAR data into a feature space, and then construct a similarity graph from the embedded data and apply graph-based semi-supervised learning techniques. The CNNVAE feature embedding and graph construction requires no labeled data, which reduces overfitting and improves the generalization performance of graph learning at low label rates. Furthermore, the method easily incorporates a human-in-the-loop for active learning in the data-labeling process. We present promising results and compare them to other standard machine learning methods on the Moving and Stationary Target Acquisition and Recognition (MSTAR) dataset for ATR with small amounts of labeled data.

Yifan Hua, Kevin Miller, Andrea L. Bertozzi et al.

We propose near-optimal overlay networks based on $d$-regular expander graphs to accelerate decentralized federated learning (DFL) and improve its generalization. In DFL a massive number of clients are connected by an overlay network, and they solve machine learning problems collaboratively without sharing raw data. Our overlay network design integrates spectral graph theory and the theoretical convergence and generalization bounds for DFL. As such, our proposed overlay networks accelerate convergence, improve generalization, and enhance robustness to clients failures in DFL with theoretical guarantees. Also, we present an efficient algorithm to convert a given graph to a practical overlay network and maintaining the network topology after potential client failures. We numerically verify the advantages of DFL with our proposed networks on various benchmark tasks, ranging from image classification to language modeling using hundreds of clients.

Kevin Miller, Andrea L. Bertozzi

Active learning in semi-supervised classification involves introducing additional labels for unlabelled data to improve the accuracy of the underlying classifier. A challenge is to identify which points to label to best improve performance while limiting the number of new labels. "Model Change" active learning quantifies the resulting change incurred in the classifier by introducing the additional label(s). We pair this idea with graph-based semi-supervised learning methods, that use the spectrum of the graph Laplacian matrix, which can be truncated to avoid prohibitively large computational and storage costs. We consider a family of convex loss functions for which the acquisition function can be efficiently approximated using the Laplace approximation of the posterior distribution. We show a variety of multiclass examples that illustrate improved performance over prior state-of-art.

Dominic Flocco, Bryce Palmer-Toy, Ruixiao Wang et al.

The construction and application of knowledge graphs have seen a rapid increase across many disciplines in recent years. Additionally, the problem of uncovering relationships between developments in the COVID-19 pandemic and social media behavior is of great interest to researchers hoping to curb the spread of the disease. In this paper we present a knowledge graph constructed from COVID-19 related tweets in the Los Angeles area, supplemented with federal and state policy announcements and disease spread statistics. By incorporating dates, topics, and events as entities, we construct a knowledge graph that describes the connections between these useful information. We use natural language processing and change point analysis to extract tweet-topic, tweet-date, and event-date relations. Further analysis on the constructed knowledge graph provides insight into how tweets reflect public sentiments towards COVID-19 related topics and how changes in these sentiments correlate with real-world events.

Hangjie Ji, Kyle Lafata, Yvonne Mowery et al.

This paper develops a method of biologically guided deep learning for post-radiation FDG-PET image outcome prediction based on pre-radiation images and radiotherapy dose information. Based on the classic reaction-diffusion mechanism, a novel biological model was proposed using a partial differential equation that incorporates spatial radiation dose distribution as a patient-specific treatment information variable. A 7-layer encoder-decoder-based convolutional neural network (CNN) was designed and trained to learn the proposed biological model. As such, the model could generate post-radiation FDG-PET image outcome predictions with possible time-series transition from pre-radiotherapy image states to post-radiotherapy states. The proposed method was developed using 64 oropharyngeal patients with paired FDG-PET studies before and after 20Gy delivery (2Gy/daily fraction) by IMRT. In a two-branch deep learning execution, the proposed CNN learns specific terms in the biological model from paired FDG-PET images and spatial dose distribution as in one branch, and the biological model generates post-20Gy FDG-PET image prediction in the other branch. The proposed method successfully generated post-20Gy FDG-PET image outcome prediction with breakdown illustrations of biological model components. Time-series FDG-PET image predictions were generated to demonstrate the feasibility of disease response rendering. The developed biologically guided deep learning method achieved post-20Gy FDG-PET image outcome predictions in good agreement with ground-truth results. With break-down biological modeling components, the outcome image predictions could be used in adaptive radiotherapy decision-making to optimize personalized plans for the best outcome in the future.

Andrea L. Bertozzi, Bamdad Hosseini, Hao Li et al.

Graph-based semi-supervised regression (SSR) is the problem of estimating the value of a function on a weighted graph from its values (labels) on a small subset of the vertices. This paper is concerned with the consistency of SSR in the context of classification, in the setting where the labels have small noise and the underlying graph weighting is consistent with well-clustered nodes. We present a Bayesian formulation of SSR in which the weighted graph defines a Gaussian prior, using a graph Laplacian, and the labeled data defines a likelihood. We analyze the rate of contraction of the posterior measure around the ground truth in terms of parameters that quantify the small label error and inherent clustering in the graph. We obtain bounds on the rates of contraction and illustrate their sharpness through numerical experiments. The analysis also gives insight into the choice of hyperparameters that enter the definition of the prior.

Kevin Miller, Hao Li, Andrea L. Bertozzi

We present a novel adaptation of active learning to graph-based semi-supervised learning (SSL) under non-Gaussian Bayesian models. We present an approximation of non-Gaussian distributions to adapt previously Gaussian-based acquisition functions to these more general cases. We develop an efficient rank-one update for applying "look-ahead" based methods as well as model retraining. We also introduce a novel "model change" acquisition function based on these approximations that further expands the available collection of active learning acquisition functions for such methods.

Bao Wang, Tan M. Nguyen, Andrea L. Bertozzi et al.

Stochastic gradient descent (SGD) with constant momentum and its variants such as Adam are the optimization algorithms of choice for training deep neural networks (DNNs). Since DNN training is incredibly computationally expensive, there is great interest in speeding up the convergence. Nesterov accelerated gradient (NAG) improves the convergence rate of gradient descent (GD) for convex optimization using a specially designed momentum; however, it accumulates error when an inexact gradient is used (such as in SGD), slowing convergence at best and diverging at worst. In this paper, we propose Scheduled Restart SGD (SRSGD), a new NAG-style scheme for training DNNs. SRSGD replaces the constant momentum in SGD by the increasing momentum in NAG but stabilizes the iterations by resetting the momentum to zero according to a schedule. Using a variety of models and benchmarks for image classification, we demonstrate that, in training DNNs, SRSGD significantly improves convergence and generalization; for instance in training ResNet200 for ImageNet classification, SRSGD achieves an error rate of 20.93% vs. the benchmark of 22.13%. These improvements become more significant as the network grows deeper. Furthermore, on both CIFAR and ImageNet, SRSGD reaches similar or even better error rates with significantly fewer training epochs compared to the SGD baseline.

Honglin Chen, Hao Li, Alexander Song et al.

Body-worn cameras are now commonly used for logging daily life, sports, and law enforcement activities, creating a large volume of archived footage. This paper studies the problem of classifying frames of footage according to the activity of the camera-wearer with an emphasis on application to real-world police body-worn video. Real-world datasets pose a different set of challenges from existing egocentric vision datasets: the amount of footage of different activities is unbalanced, the data contains personally identifiable information, and in practice it is difficult to provide substantial training footage for a supervised approach. We address these challenges by extracting features based exclusively on motion information then segmenting the video footage using a semi-supervised classification algorithm. On publicly available datasets, our method achieves results comparable to, if not better than, supervised and/or deep learning methods using a fraction of the training data. It also shows promising results on real-world police body-worn video.

Zhijian Li, Xiyang Luo, Bao Wang et al.

We study epidemic forecasting on real-world health data by a graph-structured recurrent neural network (GSRNN). We achieve state-of-the-art forecasting accuracy on the benchmark CDC dataset. To improve model efficiency, we sparsify the network weights via transformed-$\ell_1$ penalty and maintain prediction accuracy at the same level with 70% of the network weights being zero.

Baichuan Yuan, Hao Li, Andrea L. Bertozzi et al.

There is often latent network structure in spatial and temporal data and the tools of network analysis can yield fascinating insights into such data. In this paper, we develop a nonparametric method for network reconstruction from spatiotemporal data sets using multivariate Hawkes processes. In contrast to prior work on network reconstruction with point-process models, which has often focused on exclusively temporal information, our approach uses both temporal and spatial information and does not assume a specific parametric form of network dynamics. This leads to an effective way of recovering an underlying network. We illustrate our approach using both synthetic networks and networks constructed from real-world data sets (a location-based social media network, a narrative of crime events, and violent gang crimes). Our results demonstrate that, in comparison to using only temporal data, our spatiotemporal approach yields improved network reconstruction, providing a basis for meaningful subsequent analysis --- such as community structure and motif analysis --- of the reconstructed networks.

Bao Wang, Alex T. Lin, Wei Zhu et al.

We improve the robustness of Deep Neural Net (DNN) to adversarial attacks by using an interpolating function as the output activation. This data-dependent activation remarkably improves both the generalization and robustness of DNN. In the CIFAR10 benchmark, we raise the robust accuracy of the adversarially trained ResNet20 from $\sim 46\%$ to $\sim 69\%$ under the state-of-the-art Iterative Fast Gradient Sign Method (IFGSM) based adversarial attack. When we combine this data-dependent activation with total variation minimization on adversarial images and training data augmentation, we achieve an improvement in robust accuracy by 38.9$\%$ for ResNet56 under the strongest IFGSM attack. Furthermore, We provide an intuitive explanation of our defense by analyzing the geometry of the feature space.

Zachary M. Boyd, Mason A. Porter, Andrea L. Bertozzi

Networks, which represent agents and interactions between them, arise in myriad applications throughout the sciences, engineering, and even the humanities. To understand large-scale structure in a network, a common task is to cluster a network's nodes into sets called "communities", such that there are dense connections within communities but sparse connections between them. A popular and statistically principled method to perform such clustering is to use a family of generative models known as stochastic block models (SBMs). In this paper, we show that maximum likelihood estimation in an SBM is a network analog of a well-known continuum surface-tension problem that arises from an application in metallurgy. To illustrate the utility of this relationship, we implement network analogs of three surface-tension algorithms, with which we successfully recover planted community structure in synthetic networks and which yield fascinating insights on empirical networks that we construct from hyperspectral videos.

Bao Wang, Xiyang Luo, Fangbo Zhang et al.

We present a generic framework for spatio-temporal (ST) data modeling, analysis, and forecasting, with a special focus on data that is sparse in both space and time. Our multi-scaled framework is a seamless coupling of two major components: a self-exciting point process that models the macroscale statistical behaviors of the ST data and a graph structured recurrent neural network (GSRNN) to discover the microscale patterns of the ST data on the inferred graph. This novel deep neural network (DNN) incorporates the real time interactions of the graph nodes to enable more accurate real time forecasting. The effectiveness of our method is demonstrated on both crime and traffic forecasting.

Bao Wang, Penghang Yin, Andrea L. Bertozzi et al.

Real-time crime forecasting is important. However, accurate prediction of when and where the next crime will happen is difficult. No known physical model provides a reasonable approximation to such a complex system. Historical crime data are sparse in both space and time and the signal of interests is weak. In this work, we first present a proper representation of crime data. We then adapt the spatial temporal residual network on the well represented data to predict the distribution of crime in Los Angeles at the scale of hours in neighborhood-sized parcels. These experiments as well as comparisons with several existing approaches to prediction demonstrate the superiority of the proposed model in terms of accuracy. Finally, we present a ternarization technique to address the resource consumption issue for its deployment in real world. This work is an extension of our short conference proceeding paper [Wang et al, Arxiv 1707.03340].

Zachary Boyd, Egil Bae, Xue-Cheng Tai et al.

Networks capture pairwise interactions between entities and are frequently used in applications such as social networks, food networks, and protein interaction networks, to name a few. Communities, cohesive groups of nodes, often form in these applications, and identifying them gives insight into the overall organization of the network. One common quality function used to identify community structure is modularity. In Hu et al. [SIAM J. App. Math., 73(6), 2013], it was shown that modularity optimization is equivalent to minimizing a particular nonconvex total variation (TV) based functional over a discrete domain. They solve this problem, assuming the number of communities is known, using a Merriman, Bence, Osher (MBO) scheme. We show that modularity optimization is equivalent to minimizing a convex TV-based functional over a discrete domain, again, assuming the number of communities is known. Furthermore, we show that modularity has no convex relaxation satisfying certain natural conditions. We therefore, find a manageable non-convex approximation using a Ginzburg Landau functional, which provably converges to the correct energy in the limit of a certain parameter. We then derive an MBO algorithm with fewer hand-tuned parameters than in Hu et al. and which is 7 times faster at solving the associated diffusion equation due to the fact that the underlying discretization is unconditionally stable. Our numerical tests include a hyperspectral video whose associated graph has 2.9x10^7 edges, which is roughly 37 times larger than was handled in the paper of Hu et al.

Bao Wang, Duo Zhang, Duanhao Zhang et al.

Accurate real time crime prediction is a fundamental issue for public safety, but remains a challenging problem for the scientific community. Crime occurrences depend on many complex factors. Compared to many predictable events, crime is sparse. At different spatio-temporal scales, crime distributions display dramatically different patterns. These distributions are of very low regularity in both space and time. In this work, we adapt the state-of-the-art deep learning spatio-temporal predictor, ST-ResNet [Zhang et al, AAAI, 2017], to collectively predict crime distribution over the Los Angeles area. Our models are two staged. First, we preprocess the raw crime data. This includes regularization in both space and time to enhance predictable signals. Second, we adapt hierarchical structures of residual convolutional units to train multi-factor crime prediction models. Experiments over a half year period in Los Angeles reveal highly accurate predictive power of our models.

Andrea L. Bertozzi, Xiyang Luo, Andrew M. Stuart et al.

Classification of high dimensional data finds wide-ranging applications. In many of these applications equipping the resulting classification with a measure of uncertainty may be as important as the classification itself. In this paper we introduce, develop algorithms for, and investigate the properties of, a variety of Bayesian models for the task of binary classification; via the posterior distribution on the classification labels, these methods automatically give measures of uncertainty. The methods are all based around the graph formulation of semi-supervised learning. We provide a unified framework which brings together a variety of methods which have been introduced in different communities within the mathematical sciences. We study probit classification in the graph-based setting, generalize the level-set method for Bayesian inverse problems to the classification setting, and generalize the Ginzburg-Landau optimization-based classifier to a Bayesian setting; we also show that the probit and level set approaches are natural relaxations of the harmonic function approach introduced in [Zhu et al 2003]. We introduce efficient numerical methods, suited to large data-sets, for both MCMC-based sampling as well as gradient-based MAP estimation. Through numerical experiments we study classification accuracy and uncertainty quantification for our models; these experiments showcase a suite of datasets commonly used to evaluate graph-based semi-supervised learning algorithms.

Da Kuang, P. Jeffrey Brantingham, Andrea L. Bertozzi

The classification of crime into discrete categories entails a massive loss of information. Crimes emerge out of a complex mix of behaviors and situations, yet most of these details cannot be captured by singular crime type labels. This information loss impacts our ability to not only understand the causes of crime, but also how to develop optimal crime prevention strategies. We apply machine learning methods to short narrative text descriptions accompanying crime records with the goal of discovering ecologically more meaningful latent crime classes. We term these latent classes "crime topics" in reference to text-based topic modeling methods that produce them. We use topic distributions to measure clustering among formally recognized crime types. Crime topics replicate broad distinctions between violent and property crime, but also reveal nuances linked to target characteristics, situational conditions and the tools and methods of attack. Formal crime types are not discrete in topic space. Rather, crime types are distributed across a range of crime topics. Similarly, individual crime topics are distributed across a range of formal crime types. Key ecological groups include identity theft, shoplifting, burglary and theft, car crimes and vandalism, criminal threats and confidence crimes, and violent crimes. Though not a replacement for formal legal crime classifications, crime topics provide a unique window into the heterogeneous causal processes underlying crime.

Wei Zhu, Victoria Chayes, Alexandre Tiard et al.

In this paper, a graph-based nonlocal total variation method (NLTV) is proposed for unsupervised classification of hyperspectral images (HSI). The variational problem is solved by the primal-dual hybrid gradient (PDHG) algorithm. By squaring the labeling function and using a stable simplex clustering routine, an unsupervised clustering method with random initialization can be implemented. The effectiveness of this proposed algorithm is illustrated on both synthetic and real-world HSI, and numerical results show that the proposed algorithm outperforms other standard unsupervised clustering methods such as spherical K-means, nonnegative matrix factorization (NMF), and the graph-based Merriman-Bence-Osher (MBO) scheme.

Cristina Garcia-Cardona, Ekaterina Merkurjev, Andrea L. Bertozzi et al.

We present two graph-based algorithms for multiclass segmentation of high-dimensional data. The algorithms use a diffuse interface model based on the Ginzburg-Landau functional, related to total variation compressed sensing and image processing. A multiclass extension is introduced using the Gibbs simplex, with the functional's double-well potential modified to handle the multiclass case. The first algorithm minimizes the functional using a convex splitting numerical scheme. The second algorithm is a uses a graph adaptation of the classical numerical Merriman-Bence-Osher (MBO) scheme, which alternates between diffusion and thresholding. We demonstrate the performance of both algorithms experimentally on synthetic data, grayscale and color images, and several benchmark data sets such as MNIST, COIL and WebKB. We also make use of fast numerical solvers for finding the eigenvectors and eigenvalues of the graph Laplacian, and take advantage of the sparsity of the matrix. Experiments indicate that the results are competitive with or better than the current state-of-the-art multiclass segmentation algorithms.