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Deep Stock Predictions	Forecasting stock prices can be interpreted as a time series prediction problem, for which Long Short Term Memory (LSTM) neural networks are often used due to their architecture specifically built to solve such problems. In this paper, we consider the design of a trading strategy that performs portfolio optimization using the LSTM stock price prediction for four different companies. We then customize the loss function used to train the LSTM to increase the profit earned. Moreover, we propose a data driven approach for optimal selection of window length and multi-step prediction length, and consider the addition of analyst calls as technical indicators to a multi-stack Bidirectional LSTM strengthened by the addition of Attention units. We find the LSTM model with the customized loss function to have an improved performance in the training bot over a regressive baseline such as ARIMA, while the addition of analyst call does improve the performance for certain datasets.
Random Multi-Constraint Projection: Stochastic Gradient Methods for Convex Optimization with Many Constraints	Consider convex optimization problems subject to a large number of constraints. We focus on stochastic problems in which the objective takes the form of expected values and the feasible set is the intersection of a large number of convex sets. We propose a class of algorithms that perform both stochastic gradient descent and random feasibility updates simultaneously. At every iteration, the algorithms sample a number of projection points onto a randomly selected small subsets of all constraints. Three feasibility update schemes are considered: averaging over random projected points, projecting onto the most distant sample, projecting onto a special polyhedral set constructed based on sample points. We prove the almost sure convergence of these algorithms, and analyze the iterates' feasibility error and optimality error, respectively. We provide new convergence rate benchmarks for stochastic first-order optimization with many constraints. The rate analysis and numerical experiments reveal that the algorithm using the polyhedral-set projection scheme is the most efficient one within known algorithms.
Search-Based Testing Approach for Deep Reinforcement Learning Agents	Deep Reinforcement Learning (DRL) algorithms have been increasingly employed during the last decade to solve various decision-making problems such as autonomous driving and robotics. However, these algorithms have faced great challenges when deployed in safety-critical environments since they often exhibit erroneous behaviors that can lead to potentially critical errors. One way to assess the safety of DRL agents is to test them to detect possible faults leading to critical failures during their execution. This raises the question of how we can efficiently test DRL policies to ensure their correctness and adherence to safety requirements. Most existing works on testing DRL agents use adversarial attacks that perturb states or actions of the agent. However, such attacks often lead to unrealistic states of the environment. Their main goal is to test the robustness of DRL agents rather than testing the compliance of agents' policies with respect to requirements. Due to the huge state space of DRL environments, the high cost of test execution, and the black-box nature of DRL algorithms, the exhaustive testing of DRL agents is impossible. In this paper, we propose a Search-based Testing Approach of Reinforcement Learning Agents (STARLA) to test the policy of a DRL agent by effectively searching for failing executions of the agent within a limited testing budget. We use machine learning models and a dedicated genetic algorithm to narrow the search towards faulty episodes. We apply STARLA on a Deep-Q-Learning agent which is widely used as a benchmark and show that it significantly outperforms Random Testing by detecting more faults related to the agent's policy. We also investigate how to extract rules that characterize faulty episodes of the DRL agent using our search results. Such rules can be used to understand the conditions under which the agent fails and thus assess its deployment risks.
Deformable Butterfly: A Highly Structured and Sparse Linear Transform	We introduce a new kind of linear transform named Deformable Butterfly (DeBut) that generalizes the conventional butterfly matrices and can be adapted to various input-output dimensions. It inherits the fine-to-coarse-grained learnable hierarchy of traditional butterflies and when deployed to neural networks, the prominent structures and sparsity in a DeBut layer constitutes a new way for network compression. We apply DeBut as a drop-in replacement of standard fully connected and convolutional layers, and demonstrate its superiority in homogenizing a neural network and rendering it favorable properties such as light weight and low inference complexity, without compromising accuracy. The natural complexity-accuracy tradeoff arising from the myriad deformations of a DeBut layer also opens up new rooms for analytical and practical research. The codes and Appendix are publicly available at: https://github.com/ruilin0212/DeBut.
A multi-modal approach towards mining social media data during natural disasters -- a case study of Hurricane Irma	Streaming social media provides a real-time glimpse of extreme weather impacts. However, the volume of streaming data makes mining information a challenge for emergency managers, policy makers, and disciplinary scientists. Here we explore the effectiveness of data learned approaches to mine and filter information from streaming social media data from Hurricane Irma's landfall in Florida, USA. We use 54,383 Twitter messages (out of 784K geolocated messages) from 16,598 users from Sept. 10 - 12, 2017 to develop 4 independent models to filter data for relevance: 1) a geospatial model based on forcing conditions at the place and time of each tweet, 2) an image classification model for tweets that include images, 3) a user model to predict the reliability of the tweeter, and 4) a text model to determine if the text is related to Hurricane Irma. All four models are independently tested, and can be combined to quickly filter and visualize tweets based on user-defined thresholds for each submodel. We envision that this type of filtering and visualization routine can be useful as a base model for data capture from noisy sources such as Twitter. The data can then be subsequently used by policy makers, environmental managers, emergency managers, and domain scientists interested in finding tweets with specific attributes to use during different stages of the disaster (e.g., preparedness, response, and recovery), or for detailed research.
One-stage Shape Instantiation from a Single 2D Image to 3D Point Cloud	Shape instantiation which predicts the 3D shape of a dynamic target from one or more 2D images is important for real-time intra-operative navigation. Previously, a general shape instantiation framework was proposed with manual image segmentation to generate a 2D Statistical Shape Model (SSM) and with Kernel Partial Least Square Regression (KPLSR) to learn the relationship between the 2D and 3D SSM for 3D shape prediction. In this paper, the two-stage shape instantiation is improved to be one-stage. PointOutNet with 19 convolutional layers and three fully-connected layers is used as the network structure and Chamfer distance is used as the loss function to predict the 3D target point cloud from a single 2D image. With the proposed one-stage shape instantiation algorithm, a spontaneous image-to-point cloud training and inference can be achieved. A dataset from 27 Right Ventricle (RV) subjects, indicating 609 experiments, were used to validate the proposed one-stage shape instantiation algorithm. An average point cloud-to-point cloud (PC-to-PC) error of 1.72mm has been achieved, which is comparable to the PLSR-based (1.42mm) and KPLSR-based (1.31mm) two-stage shape instantiation algorithm.
Learning programs by learning from failures	We describe an inductive logic programming (ILP) approach called learning from failures. In this approach, an ILP system (the learner) decomposes the learning problem into three separate stages: generate, test, and constrain. In the generate stage, the learner generates a hypothesis (a logic program) that satisfies a set of hypothesis constraints (constraints on the syntactic form of hypotheses). In the test stage, the learner tests the hypothesis against training examples. A hypothesis fails when it does not entail all the positive examples or entails a negative example. If a hypothesis fails, then, in the constrain stage, the learner learns constraints from the failed hypothesis to prune the hypothesis space, i.e. to constrain subsequent hypothesis generation. For instance, if a hypothesis is too general (entails a negative example), the constraints prune generalisations of the hypothesis. If a hypothesis is too specific (does not entail all the positive examples), the constraints prune specialisations of the hypothesis. This loop repeats until either (i) the learner finds a hypothesis that entails all the positive and none of the negative examples, or (ii) there are no more hypotheses to test. We introduce Popper, an ILP system that implements this approach by combining answer set programming and Prolog. Popper supports infinite problem domains, reasoning about lists and numbers, learning textually minimal programs, and learning recursive programs. Our experimental results on three domains (toy game problems, robot strategies, and list transformations) show that (i) constraints drastically improve learning performance, and (ii) Popper can outperform existing ILP systems, both in terms of predictive accuracies and learning times.
How I Learned to Stop Worrying and Love Retraining	Many Neural Network Pruning approaches consist of several iterative training and pruning steps, seemingly losing a significant amount of their performance after pruning and then recovering it in the subsequent retraining phase. Recent works of Renda et al. (2020) and Le & Hua (2021) demonstrate the significance of the learning rate schedule during the retraining phase and propose specific heuristics for choosing such a schedule for IMP (Han et al., 2015). We place these findings in the context of the results of Li et al. (2020) regarding the training of models within a fixed training budget and demonstrate that, consequently, the retraining phase can be massively shortened using a simple linear learning rate schedule. Going a step further, we propose similarly imposing a budget on the initial dense training phase and show that the resulting simple and efficient method is capable of outperforming significantly more complex or heavily parameterized state-of-the-art approaches that attempt to sparsify the network during training. These findings not only advance our understanding of the retraining phase, but more broadly question the belief that one should aim to avoid the need for retraining and reduce the negative effects of 'hard' pruning by incorporating the sparsification process into the standard training.
Autism Spectrum Disorder Screening Using Discriminative Brain Sub-Networks: An Entropic Approach	Autism is one of the most important neurological disorders which leads to problems in a person's social interactions. Improvement of brain imaging technologies and techniques help us to build brain structural and functional networks. Finding networks topology pattern in each of the groups (autism and healthy control) can aid us to achieve an autism disorder screening model. In the present study, we have utilized the genetic algorithm to extract a discriminative sub-network that represents differences between two groups better. In the fitness evaluation phase, for each sub-network, a machine learning model was trained using various entropy features of the sub-network and its performance was measured. Proper model performance implies extracting a good discriminative sub-network. Network entropies can be used as network topological descriptors. The evaluation results indicate the acceptable performance of the proposed screening method based on extracted discriminative sub-networks and the machine learning models succeeded in obtaining a maximum accuracy of 73.1% in structural networks of the UCLA dataset, 82.2% in functional networks of the UCLA dataset, and 66.1% in functional networks of ABIDE datasets.
Rapidly Adapting Moment Estimation	Adaptive gradient methods such as Adam have been shown to be very effective for training deep neural networks (DNNs) by tracking the second moment of gradients to compute the individual learning rates. Differently from existing methods, we make use of the most recent first moment of gradients to compute the individual learning rates per iteration. The motivation behind it is that the dynamic variation of the first moment of gradients may provide useful information to obtain the learning rates. We refer to the new method as the rapidly adapting moment estimation (RAME). The theoretical convergence of deterministic RAME is studied by using an analysis similar to the one used in [1] for Adam. Experimental results for training a number of DNNs show promising performance of RAME w.r.t. the convergence speed and generalization performance compared to the stochastic heavy-ball (SHB) method, Adam, and RMSprop.
Learning to Solve Travelling Salesman Problem with Hardness-adaptive Curriculum	Various neural network models have been proposed to tackle combinatorial optimization problems such as the travelling salesman problem (TSP). Existing learning-based TSP methods adopt a simple setting that the training and testing data are independent and identically distributed. However, the existing literature fails to solve TSP instances when training and testing data have different distributions. Concretely, we find that different training and testing distribution will result in more difficult TSP instances, i.e., the solution obtained by the model has a large gap from the optimal solution. To tackle this problem, in this work, we study learning-based TSP methods when training and testing data have different distributions using adaptive-hardness, i.e., how difficult a TSP instance can be for a solver. This problem is challenging because it is non-trivial to (1) define hardness measurement quantitatively; (2) efficiently and continuously generate sufficiently hard TSP instances upon model training; (3) fully utilize instances with different levels of hardness to learn a more powerful TSP solver. To solve these challenges, we first propose a principled hardness measurement to quantify the hardness of TSP instances. Then, we propose a hardness-adaptive generator to generate instances with different hardness. We further propose a curriculum learner fully utilizing these instances to train the TSP solver. Experiments show that our hardness-adaptive generator can generate instances ten times harder than the existing methods, and our proposed method achieves significant improvement over state-of-the-art models in terms of the optimality gap.
AI outperformed every dermatologist: Improved dermoscopic melanoma diagnosis through customizing batch logic and loss function in an optimized Deep CNN architecture	Melanoma, one of most dangerous types of skin cancer, re-sults in a very high mortality rate. Early detection and resection are two key points for a successful cure. Recent research has used artificial intelligence to classify melanoma and nevus and to compare the assessment of these algorithms to that of dermatologists. However, an imbalance of sensitivity and specificity measures affected the performance of existing models. This study proposes a method using deep convolutional neural networks aiming to detect melanoma as a binary classification problem. It involves 3 key features, namely customized batch logic, customized loss function and reformed fully connected layers. The training dataset is kept up to date including 17,302 images of melanoma and nevus; this is the largest dataset by far. The model performance is compared to that of 157 dermatologists from 12 university hospitals in Germany based on MClass-D dataset. The model outperformed all 157 dermatologists and achieved state-of-the-art performance with AUC at 94.4% with sensitivity of 85.0% and specificity of 95.0% using a prediction threshold of 0.5 on the MClass-D dataset of 100 dermoscopic images. Moreover, a threshold of 0.40858 showed the most balanced measure compared to other researches, and is promisingly application to medical diagnosis, with sensitivity of 90.0% and specificity of 93.8%.
Additive Non-negative Matrix Factorization for Missing Data	Non-negative matrix factorization (NMF) has previously been shown to be a useful decomposition for multivariate data. We interpret the factorization in a new way and use it to generate missing attributes from test data. We provide a joint optimization scheme for the missing attributes as well as the NMF factors. We prove the monotonic convergence of our algorithms. We present classification results for cases with missing attributes.
Dual Principal Component Pursuit	We consider the problem of learning a linear subspace from data corrupted by outliers. Classical approaches are typically designed for the case in which the subspace dimension is small relative to the ambient dimension. Our approach works with a dual representation of the subspace and hence aims to find its orthogonal complement; as such, it is particularly suitable for subspaces whose dimension is close to the ambient dimension (subspaces of high relative dimension). We pose the problem of computing normal vectors to the inlier subspace as a non-convex $\ell_1$ minimization problem on the sphere, which we call Dual Principal Component Pursuit (DPCP) problem. We provide theoretical guarantees under which every global solution to DPCP is a vector in the orthogonal complement of the inlier subspace. Moreover, we relax the non-convex DPCP problem to a recursion of linear programs whose solutions are shown to converge in a finite number of steps to a vector orthogonal to the subspace. In particular, when the inlier subspace is a hyperplane, the solutions to the recursion of linear programs converge to the global minimum of the non-convex DPCP problem in a finite number of steps. We also propose algorithms based on alternating minimization and iteratively re-weighted least squares, which are suitable for dealing with large-scale data. Experiments on synthetic data show that the proposed methods are able to handle more outliers and higher relative dimensions than current state-of-the-art methods, while experiments in the context of the three-view geometry problem in computer vision suggest that the proposed methods can be a useful or even superior alternative to traditional RANSAC-based approaches for computer vision and other applications.
BoxE: A Box Embedding Model for Knowledge Base Completion	Knowledge base completion (KBC) aims to automatically infer missing facts by exploiting information already present in a knowledge base (KB). A promising approach for KBC is to embed knowledge into latent spaces and make predictions from learned embeddings. However, existing embedding models are subject to at least one of the following limitations: (1) theoretical inexpressivity, (2) lack of support for prominent inference patterns (e.g., hierarchies), (3) lack of support for KBC over higher-arity relations, and (4) lack of support for incorporating logical rules. Here, we propose a spatio-translational embedding model, called BoxE, that simultaneously addresses all these limitations. BoxE embeds entities as points, and relations as a set of hyper-rectangles (or boxes), which spatially characterize basic logical properties. This seemingly simple abstraction yields a fully expressive model offering a natural encoding for many desired logical properties. BoxE can both capture and inject rules from rich classes of rule languages, going well beyond individual inference patterns. By design, BoxE naturally applies to higher-arity KBs. We conduct a detailed experimental analysis, and show that BoxE achieves state-of-the-art performance, both on benchmark knowledge graphs and on more general KBs, and we empirically show the power of integrating logical rules.
ConAML: Constrained Adversarial Machine Learning for Cyber-Physical Systems	Recent research demonstrated that the superficially well-trained machine learning (ML) models are highly vulnerable to adversarial examples. As ML techniques are becoming a popular solution for cyber-physical systems (CPSs) applications in research literatures, the security of these applications is of concern. However, current studies on adversarial machine learning (AML) mainly focus on pure cyberspace domains. The risks the adversarial examples can bring to the CPS applications have not been well investigated. In particular, due to the distributed property of data sources and the inherent physical constraints imposed by CPSs, the widely-used threat models and the state-of-the-art AML algorithms in previous cyberspace research become infeasible. We study the potential vulnerabilities of ML applied in CPSs by proposing Constrained Adversarial Machine Learning (ConAML), which generates adversarial examples that satisfy the intrinsic constraints of the physical systems. We first summarize the difference between AML in CPSs and AML in existing cyberspace systems and propose a general threat model for ConAML. We then design a best-effort search algorithm to iteratively generate adversarial examples with linear physical constraints. We evaluate our algorithms with simulations of two typical CPSs, the power grids and the water treatment system. The results show that our ConAML algorithms can effectively generate adversarial examples which significantly decrease the performance of the ML models even under practical constraints.
Fault Detection and Identification using Bayesian Recurrent Neural Networks	In processing and manufacturing industries, there has been a large push to produce higher quality products and ensure maximum efficiency of processes. This requires approaches to effectively detect and resolve disturbances to ensure optimal operations. While the control system can compensate for many types of disturbances, there are changes to the process which it still cannot handle adequately. It is therefore important to further develop monitoring systems to effectively detect and identify those faults such that they can be quickly resolved by operators. In this paper, a novel probabilistic fault detection and identification method is proposed which adopts a newly developed deep learning approach using Bayesian recurrent neural networks~(BRNNs) with variational dropout. The BRNN model is general and can model complex nonlinear dynamics. Moreover, compared to traditional statistic-based data-driven fault detection and identification methods, the proposed BRNN-based method yields uncertainty estimates which allow for simultaneous fault detection of chemical processes, direct fault identification, and fault propagation analysis. The outstanding performance of this method is demonstrated and contrasted to (dynamic) principal component analysis, which are widely applied in the industry, in the benchmark Tennessee Eastman process~(TEP) and a real chemical manufacturing dataset.
Two-stage Algorithm for Fairness-aware Machine Learning	Algorithmic decision making process now affects many aspects of our lives. Standard tools for machine learning, such as classification and regression, are subject to the bias in data, and thus direct application of such off-the-shelf tools could lead to a specific group being unfairly discriminated. Removing sensitive attributes of data does not solve this problem because a \textit{disparate impact} can arise when non-sensitive attributes and sensitive attributes are correlated. Here, we study a fair machine learning algorithm that avoids such a disparate impact when making a decision. Inspired by the two-stage least squares method that is widely used in the field of economics, we propose a two-stage algorithm that removes bias in the training data. The proposed algorithm is conceptually simple. Unlike most of existing fair algorithms that are designed for classification tasks, the proposed method is able to (i) deal with regression tasks, (ii) combine explanatory attributes to remove reverse discrimination, and (iii) deal with numerical sensitive attributes. The performance and fairness of the proposed algorithm are evaluated in simulations with synthetic and real-world datasets.
Subsampling Bias and The Best-Discrepancy Systematic Cross Validation	Statistical machine learning models should be evaluated and validated before putting to work. Conventional k-fold Monte Carlo Cross-Validation (MCCV) procedure uses a pseudo-random sequence to partition instances into k subsets, which usually causes subsampling bias, inflates generalization errors and jeopardizes the reliability and effectiveness of cross-validation. Based on ordered systematic sampling theory in statistics and low-discrepancy sequence theory in number theory, we propose a new k-fold cross-validation procedure by replacing a pseudo-random sequence with a best-discrepancy sequence, which ensures low subsampling bias and leads to more precise Expected-Prediction-Error estimates. Experiments with 156 benchmark datasets and three classifiers (logistic regression, decision tree and naive bayes) show that in general, our cross-validation procedure can extrude subsampling bias in the MCCV by lowering the EPE around 7.18% and the variances around 26.73%. In comparison, the stratified MCCV can reduce the EPE and variances of the MCCV around 1.58% and 11.85% respectively. The Leave-One-Out (LOO) can lower the EPE around 2.50% but its variances are much higher than the any other CV procedure. The computational time of our cross-validation procedure is just 8.64% of the MCCV, 8.67% of the stratified MCCV and 16.72% of the LOO. Experiments also show that our approach is more beneficial for datasets characterized by relatively small size and large aspect ratio. This makes our approach particularly pertinent when solving bioscience classification problems. Our proposed systematic subsampling technique could be generalized to other machine learning algorithms that involve random subsampling mechanism.
In search of the weirdest galaxies in the Universe	Weird galaxies are outliers that have either unknown or very uncommon features making them different from the normal sample. These galaxies are very interesting as they may provide new insights into current theories, or can be used to form new theories about processes in the Universe. Interesting outliers are often found by accident, but this will become increasingly more difficult with future big surveys generating an enormous amount of data. This gives the need for machine learning detection techniques to find the interesting weird objects. In this work, we inspect the galaxy spectra of the third data release of the Galaxy And Mass Assembly survey and look for the weird outlying galaxies using two different outlier detection techniques. First, we apply distance-based Unsupervised Random Forest on the galaxy spectra using the flux values as input features. Spectra with a high outlier score are inspected and divided into different categories such as blends, quasi-stellar objects, and BPT outliers. We also experiment with a reconstruction-based outlier detection method using a variational autoencoder and compare the results of the two different methods. At last, we apply dimensionality reduction techniques on the output of the methods to inspect the clustering of similar spectra. We find that both unsupervised methods extract important features from the data and can be used to find many different types of outliers.
Towards Plausible Differentially Private ADMM Based Distributed Machine Learning	The Alternating Direction Method of Multipliers (ADMM) and its distributed version have been widely used in machine learning. In the iterations of ADMM, model updates using local private data and model exchanges among agents impose critical privacy concerns. Despite some pioneering works to relieve such concerns, differentially private ADMM still confronts many research challenges. For example, the guarantee of differential privacy (DP) relies on the premise that the optimality of each local problem can be perfectly attained in each ADMM iteration, which may never happen in practice. The model trained by DP ADMM may have low prediction accuracy. In this paper, we address these concerns by proposing a novel (Improved) Plausible differentially Private ADMM algorithm, called PP-ADMM and IPP-ADMM. In PP-ADMM, each agent approximately solves a perturbed optimization problem that is formulated from its local private data in an iteration, and then perturbs the approximate solution with Gaussian noise to provide the DP guarantee. To further improve the model accuracy and convergence, an improved version IPP-ADMM adopts sparse vector technique (SVT) to determine if an agent should update its neighbors with the current perturbed solution. The agent calculates the difference of the current solution from that in the last iteration, and if the difference is larger than a threshold, it passes the solution to neighbors; or otherwise the solution will be discarded. Moreover, we propose to track the total privacy loss under the zero-concentrated DP (zCDP) and provide a generalization performance analysis. Experiments on real-world datasets demonstrate that under the same privacy guarantee, the proposed algorithms are superior to the state of the art in terms of model accuracy and convergence rate.
Graph Neural Networks are Dynamic Programmers	Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample complexity) if its individual components align well with the target algorithm. Specifically, GNNs are claimed to align with dynamic programming (DP), a general problem-solving strategy which expresses many polynomial-time algorithms. However, has this alignment truly been demonstrated and theoretically quantified? Here we show, using methods from category theory and abstract algebra, that there exists an intricate connection between GNNs and DP, going well beyond the initial observations over individual algorithms such as Bellman-Ford. Exposing this connection, we easily verify several prior findings in the literature, produce better-grounded GNN architectures for edge-centric tasks, and demonstrate empirical results on the CLRS algorithmic reasoning benchmark. We hope our exposition will serve as a foundation for building stronger algorithmically aligned GNNs.
Gaze-enhanced Crossmodal Embeddings for Emotion Recognition	Emotional expressions are inherently multimodal -- integrating facial behavior, speech, and gaze -- but their automatic recognition is often limited to a single modality, e.g. speech during a phone call. While previous work proposed crossmodal emotion embeddings to improve monomodal recognition performance, despite its importance, an explicit representation of gaze was not included. We propose a new approach to emotion recognition that incorporates an explicit representation of gaze in a crossmodal emotion embedding framework. We show that our method outperforms the previous state of the art for both audio-only and video-only emotion classification on the popular One-Minute Gradual Emotion Recognition dataset. Furthermore, we report extensive ablation experiments and provide detailed insights into the performance of different state-of-the-art gaze representations and integration strategies. Our results not only underline the importance of gaze for emotion recognition but also demonstrate a practical and highly effective approach to leveraging gaze information for this task.
On-the-fly Operation Batching in Dynamic Computation Graphs	Dynamic neural network toolkits such as PyTorch, DyNet, and Chainer offer more flexibility for implementing models that cope with data of varying dimensions and structure, relative to toolkits that operate on statically declared computations (e.g., TensorFlow, CNTK, and Theano). However, existing toolkits - both static and dynamic - require that the developer organize the computations into the batches necessary for exploiting high-performance algorithms and hardware. This batching task is generally difficult, but it becomes a major hurdle as architectures become complex. In this paper, we present an algorithm, and its implementation in the DyNet toolkit, for automatically batching operations. Developers simply write minibatch computations as aggregations of single instance computations, and the batching algorithm seamlessly executes them, on the fly, using computationally efficient batched operations. On a variety of tasks, we obtain throughput similar to that obtained with manual batches, as well as comparable speedups over single-instance learning on architectures that are impractical to batch manually.
Learning Transferrable Parameters for Long-tailed Sequential User Behavior Modeling	Sequential user behavior modeling plays a crucial role in online user-oriented services, such as product purchasing, news feed consumption, and online advertising. The performance of sequential modeling heavily depends on the scale and quality of historical behaviors. However, the number of user behaviors inherently follows a long-tailed distribution, which has been seldom explored. In this work, we argue that focusing on tail users could bring more benefits and address the long tails issue by learning transferrable parameters from both optimization and feature perspectives. Specifically, we propose a gradient alignment optimizer and adopt an adversarial training scheme to facilitate knowledge transfer from the head to the tail. Such methods can also deal with the cold-start problem of new users. Moreover, it could be directly adaptive to various well-established sequential models. Extensive experiments on four real-world datasets verify the superiority of our framework compared with the state-of-the-art baselines.
Machine Learning approaches to do size based reasoning on Retail Shelf objects to classify product variants	There has been a surge in the number of Machine Learning methods to analyze products kept on retail shelves images. Deep learning based computer vision methods can be used to detect products on retail shelves and then classify them. However, there are different sized variants of products which look exactly the same visually and the method to differentiate them is to look at their relative sizes with other products on shelves. This makes the process of deciphering the sized based variants from each other using computer vision algorithms alone impractical. In this work, we propose methods to ascertain the size variant of the product as a downstream task to an object detector which extracts products from shelf and a classifier which determines product brand. Product variant determination is the task which assigns a product variant to products of a brand based on the size of bounding boxes and brands predicted by classifier. While gradient boosting based methods work well for products whose facings are clear and distinct, a noise accommodating Neural Network method is proposed for cases where the products are stacked irregularly.
Learning Energy Networks with Generalized Fenchel-Young Losses	Energy-based models, a.k.a. energy networks, perform inference by optimizing an energy function, typically parametrized by a neural network. This allows one to capture potentially complex relationships between inputs and outputs. To learn the parameters of the energy function, the solution to that optimization problem is typically fed into a loss function. The key challenge for training energy networks lies in computing loss gradients, as this typically requires argmin/argmax differentiation. In this paper, building upon a generalized notion of conjugate function, which replaces the usual bilinear pairing with a general energy function, we propose generalized Fenchel-Young losses, a natural loss construction for learning energy networks. Our losses enjoy many desirable properties and their gradients can be computed efficiently without argmin/argmax differentiation. We also prove the calibration of their excess risk in the case of linear-concave energies. We demonstrate our losses on multilabel classification and imitation learning tasks.
The Power of The Hybrid Model for Mean Estimation	We explore the power of the hybrid model of differential privacy (DP), in which some users desire the guarantees of the local model of DP and others are content with receiving the trusted-curator model guarantees. In particular, we study the utility of hybrid model estimators that compute the mean of arbitrary real-valued distributions with bounded support. When the curator knows the distribution's variance, we design a hybrid estimator that, for realistic datasets and parameter settings, achieves a constant factor improvement over natural baselines. We then analytically characterize how the estimator's utility is parameterized by the problem setting and parameter choices. When the distribution's variance is unknown, we design a heuristic hybrid estimator and analyze how it compares to the baselines. We find that it often performs better than the baselines, and sometimes almost as well as the known-variance estimator. We then answer the question of how our estimator's utility is affected when users' data are not drawn from the same distribution, but rather from distributions dependent on their trust model preference. Concretely, we examine the implications of the two groups' distributions diverging and show that in some cases, our estimators maintain fairly high utility. We then demonstrate how our hybrid estimator can be incorporated as a sub-component in more complex, higher-dimensional applications. Finally, we propose a new privacy amplification notion for the hybrid model that emerges due to interaction between the groups, and derive corresponding amplification results for our hybrid estimators.
Spectral, Probabilistic, and Deep Metric Learning: Tutorial and Survey	This is a tutorial and survey paper on metric learning. Algorithms are divided into spectral, probabilistic, and deep metric learning. We first start with the definition of distance metric, Mahalanobis distance, and generalized Mahalanobis distance. In spectral methods, we start with methods using scatters of data, including the first spectral metric learning, relevant methods to Fisher discriminant analysis, Relevant Component Analysis (RCA), Discriminant Component Analysis (DCA), and the Fisher-HSIC method. Then, large-margin metric learning, imbalanced metric learning, locally linear metric adaptation, and adversarial metric learning are covered. We also explain several kernel spectral methods for metric learning in the feature space. We also introduce geometric metric learning methods on the Riemannian manifolds. In probabilistic methods, we start with collapsing classes in both input and feature spaces and then explain the neighborhood component analysis methods, Bayesian metric learning, information theoretic methods, and empirical risk minimization in metric learning. In deep learning methods, we first introduce reconstruction autoencoders and supervised loss functions for metric learning. Then, Siamese networks and its various loss functions, triplet mining, and triplet sampling are explained. Deep discriminant analysis methods, based on Fisher discriminant analysis, are also reviewed. Finally, we introduce multi-modal deep metric learning, geometric metric learning by neural networks, and few-shot metric learning.
Protein Classification using Machine Learning and Statistical Techniques: A Comparative Analysis	In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to bioinformatics scholars. The prime objective of this article is to implement the machine learning classification technique for feature selection and predictions also find out an appropriate classification technique for function prediction. In this article the seven different classification technique like CRT, QUEST, CHAID, C5.0, ANN (Artificial Neural Network), SVM and Bayesian has been implemented on 4368 protein data that has been extracted from UniprotKB databank and categories into six different class. The proteins data is high dimensional sequence data and contain a maximum of 48 features.To manipulate the high dimensional sequential protein data with different classification technique, the SPSS has been used as an experimental tool. Different classification techniques give different results for every model and shows that the data are imbalanced for class C4, C5 and C6. The imbalanced data affect the performance of model. In these three classes the precision and recall value is very less or negligible. The experimental results highlight that the C5.0 classification technique accuracy is more suited for protein feature classification and predictions. The C5.0 classification technique gives 95.56% accuracy and also gives high precision and recall value. Finally, we conclude that the features that is selected can be used for function prediction.
Investigating the Role of Negatives in Contrastive Representation Learning	Noise contrastive learning is a popular technique for unsupervised representation learning. In this approach, a representation is obtained via reduction to supervised learning, where given a notion of semantic similarity, the learner tries to distinguish a similar (positive) example from a collection of random (negative) examples. The success of modern contrastive learning pipelines relies on many parameters such as the choice of data augmentation, the number of negative examples, and the batch size; however, there is limited understanding as to how these parameters interact and affect downstream performance. We focus on disambiguating the role of one of these parameters: the number of negative examples. Theoretically, we show the existence of a collision-coverage trade-off suggesting that the optimal number of negative examples should scale with the number of underlying concepts in the data. Empirically, we scrutinize the role of the number of negatives in both NLP and vision tasks. In the NLP task, we find that the results broadly agree with our theory, while our vision experiments are murkier with performance sometimes even being insensitive to the number of negatives. We discuss plausible explanations for this behavior and suggest future directions to better align theory and practice.
Quickest change detection with unknown parameters: Constant complexity and near optimality	We consider the quickest change detection problem where both the parameters of pre- and post- change distributions are unknown, which prevents the use of classical simple hypothesis testing. Without additional assumptions, optimal solutions are not tractable as they rely on some minimax and robust variant of the objective. As a consequence, change points might be detected too late for practical applications (in economics, health care or maintenance for instance). Available constant complexity techniques typically solve a relaxed version of the problem, deeply relying on very specific probability distributions and/or some very precise additional knowledge. We consider a totally different approach that leverages the theoretical asymptotic properties of optimal solutions to derive a new scalable approximate algorithm with near optimal performance that runs~in~$\mathcal{O}(1)$, adapted to even more complex Markovian settings.
Multimodal analysis of the predictability of hand-gesture properties	Embodied conversational agents benefit from being able to accompany their speech with gestures. Although many data-driven approaches to gesture generation have been proposed in recent years, it is still unclear whether such systems can consistently generate gestures that convey meaning. We investigate which gesture properties (phase, category, and semantics) can be predicted from speech text and/or audio using contemporary deep learning. In extensive experiments, we show that gesture properties related to gesture meaning (semantics and category) are predictable from text features (time-aligned FastText embeddings) alone, but not from prosodic audio features, while rhythm-related gesture properties (phase) on the other hand can be predicted from audio features better than from text. These results are encouraging as they indicate that it is possible to equip an embodied agent with content-wise meaningful co-speech gestures using a machine-learning model.
Deep Convolutional Framelets: A General Deep Learning Framework for Inverse Problems	Recently, deep learning approaches with various network architectures have achieved significant performance improvement over existing iterative reconstruction methods in various imaging problems. However, it is still unclear why these deep learning architectures work for specific inverse problems. To address these issues, here we show that the long-searched-for missing link is the convolution framelets for representing a signal by convolving local and non-local bases. The convolution framelets was originally developed to generalize the theory of low-rank Hankel matrix approaches for inverse problems, and this paper further extends the idea so that we can obtain a deep neural network using multilayer convolution framelets with perfect reconstruction (PR) under rectilinear linear unit nonlinearity (ReLU). Our analysis also shows that the popular deep network components such as residual block, redundant filter channels, and concatenated ReLU (CReLU) do indeed help to achieve the PR, while the pooling and unpooling layers should be augmented with high-pass branches to meet the PR condition. Moreover, by changing the number of filter channels and bias, we can control the shrinkage behaviors of the neural network. This discovery leads us to propose a novel theory for deep convolutional framelets neural network. Using numerical experiments with various inverse problems, we demonstrated that our deep convolution framelets network shows consistent improvement over existing deep architectures.This discovery suggests that the success of deep learning is not from a magical power of a black-box, but rather comes from the power of a novel signal representation using non-local basis combined with data-driven local basis, which is indeed a natural extension of classical signal processing theory.
CASTing Your Model: Learning to Localize Improves Self-Supervised Representations	Recent advances in self-supervised learning (SSL) have largely closed the gap with supervised ImageNet pretraining. Despite their success these methods have been primarily applied to unlabeled ImageNet images, and show marginal gains when trained on larger sets of uncurated images. We hypothesize that current SSL methods perform best on iconic images, and struggle on complex scene images with many objects. Analyzing contrastive SSL methods shows that they have poor visual grounding and receive poor supervisory signal when trained on scene images. We propose Contrastive Attention-Supervised Tuning(CAST) to overcome these limitations. CAST uses unsupervised saliency maps to intelligently sample crops, and to provide grounding supervision via a Grad-CAM attention loss. Experiments on COCO show that CAST significantly improves the features learned by SSL methods on scene images, and further experiments show that CAST-trained models are more robust to changes in backgrounds.
Regularizing Meta-Learning via Gradient Dropout	With the growing attention on learning-to-learn new tasks using only a few examples, meta-learning has been widely used in numerous problems such as few-shot classification, reinforcement learning, and domain generalization. However, meta-learning models are prone to overfitting when there are no sufficient training tasks for the meta-learners to generalize. Although existing approaches such as Dropout are widely used to address the overfitting problem, these methods are typically designed for regularizing models of a single task in supervised training. In this paper, we introduce a simple yet effective method to alleviate the risk of overfitting for gradient-based meta-learning. Specifically, during the gradient-based adaptation stage, we randomly drop the gradient in the inner-loop optimization of each parameter in deep neural networks, such that the augmented gradients improve generalization to new tasks. We present a general form of the proposed gradient dropout regularization and show that this term can be sampled from either the Bernoulli or Gaussian distribution. To validate the proposed method, we conduct extensive experiments and analysis on numerous computer vision tasks, demonstrating that the gradient dropout regularization mitigates the overfitting problem and improves the performance upon various gradient-based meta-learning frameworks.
High-Dimensional Uncertainty Quantification via Tensor Regression with Rank Determination and Adaptive Sampling	Fabrication process variations can significantly influence the performance and yield of nano-scale electronic and photonic circuits. Stochastic spectral methods have achieved great success in quantifying the impact of process variations, but they suffer from the curse of dimensionality. Recently, low-rank tensor methods have been developed to mitigate this issue, but two fundamental challenges remain open: how to automatically determine the tensor rank and how to adaptively pick the informative simulation samples. This paper proposes a novel tensor regression method to address these two challenges. We use a $\ell_{q}/ \ell_{2}$ group-sparsity regularization to determine the tensor rank. The resulting optimization problem can be efficiently solved via an alternating minimization solver. We also propose a two-stage adaptive sampling method to reduce the simulation cost. Our method considers both exploration and exploitation via the estimated Voronoi cell volume and nonlinearity measurement respectively. The proposed model is verified with synthetic and some realistic circuit benchmarks, on which our method can well capture the uncertainty caused by 19 to 100 random variables with only 100 to 600 simulation samples.
Adaptive Crowdsourcing Algorithms for the Bandit Survey Problem	Very recently crowdsourcing has become the de facto platform for distributing and collecting human computation for a wide range of tasks and applications such as information retrieval, natural language processing and machine learning. Current crowdsourcing platforms have some limitations in the area of quality control. Most of the effort to ensure good quality has to be done by the experimenter who has to manage the number of workers needed to reach good results. We propose a simple model for adaptive quality control in crowdsourced multiple-choice tasks which we call the \emph{bandit survey problem}. This model is related to, but technically different from the well-known multi-armed bandit problem. We present several algorithms for this problem, and support them with analysis and simulations. Our approach is based in our experience conducting relevance evaluation for a large commercial search engine.
DPNNet-2.0 Part I: Finding hidden planets from simulated images of protoplanetary disk gaps	The observed sub-structures, like annular gaps, in dust emissions from protoplanetary disk, are often interpreted as signatures of embedded planets. Fitting a model of planetary gaps to these observed features using customized simulations or empirical relations can reveal the characteristics of the hidden planets. However, customized fitting is often impractical owing to the increasing sample size and the complexity of disk-planet interaction. In this paper we introduce the architecture of DPNNet-2.0, second in the series after DPNNet \citep{aud20}, designed using a Convolutional Neural Network ( CNN, here specifically ResNet50) for predicting exoplanet masses directly from simulated images of protoplanetary disks hosting a single planet. DPNNet-2.0 additionally consists of a multi-input framework that uses both a CNN and multi-layer perceptron (a class of artificial neural network) for processing image and disk parameters simultaneously. This enables DPNNet-2.0 to be trained using images directly, with the added option of considering disk parameters (disk viscosities, disk temperatures, disk surface density profiles, dust abundances, and particle Stokes numbers) generated from disk-planet hydrodynamic simulations as inputs. This work provides the required framework and is the first step towards the use of computer vision (implementing CNN) to directly extract mass of an exoplanet from planetary gaps observed in dust-surface density maps by telescopes such as the Atacama Large (sub-)Millimeter Array.
Stacked Generalizations in Imbalanced Fraud Data Sets using Resampling Methods	This study uses stacked generalization, which is a two-step process of combining machine learning methods, called meta or super learners, for improving the performance of algorithms in step one (by minimizing the error rate of each individual algorithm to reduce its bias in the learning set) and then in step two inputting the results into the meta learner with its stacked blended output (demonstrating improved performance with the weakest algorithms learning better). The method is essentially an enhanced cross-validation strategy. Although the process uses great computational resources, the resulting performance metrics on resampled fraud data show that increased system cost can be justified. A fundamental key to fraud data is that it is inherently not systematic and, as of yet, the optimal resampling methodology has not been identified. Building a test harness that accounts for all permutations of algorithm sample set pairs demonstrates that the complex, intrinsic data structures are all thoroughly tested. Using a comparative analysis on fraud data that applies stacked generalizations provides useful insight needed to find the optimal mathematical formula to be used for imbalanced fraud data sets.
Machine Learning for Bioclimatic Modelling	Many machine learning (ML) approaches are widely used to generate bioclimatic models for prediction of geographic range of organism as a function of climate. Applications such as prediction of range shift in organism, range of invasive species influenced by climate change are important parameters in understanding the impact of climate change. However, success of machine learning-based approaches depends on a number of factors. While it can be safely said that no particular ML technique can be effective in all applications and success of a technique is predominantly dependent on the application or the type of the problem, it is useful to understand their behavior to ensure informed choice of techniques. This paper presents a comprehensive review of machine learning-based bioclimatic model generation and analyses the factors influencing success of such models. Considering the wide use of statistical techniques, in our discussion we also include conventional statistical techniques used in bioclimatic modelling.
Background subtraction using the factored 3-way restricted Boltzmann machines	In this paper, we proposed a method for reconstructing the 3D model based on continuous sensory input. The robot can draw on extremely large data from the real world using various sensors. However, the sensory inputs are usually too noisy and high-dimensional data. It is very difficult and time consuming for robot to process using such raw data when the robot tries to construct 3D model. Hence, there needs to be a method that can extract useful information from such sensory inputs. To address this problem our method utilizes the concept of Object Semantic Hierarchy (OSH). Different from the previous work that used this hierarchy framework, we extract the motion information using the Deep Belief Network technique instead of applying classical computer vision approaches. We have trained on two large sets of random dot images (10,000) which are translated and rotated, respectively, and have successfully extracted several bases that explain the translation and rotation motion. Based on this translation and rotation bases, background subtraction have become possible using Object Semantic Hierarchy.
Cross-speaker Style Transfer with Prosody Bottleneck in Neural Speech Synthesis	Cross-speaker style transfer is crucial to the applications of multi-style and expressive speech synthesis at scale. It does not require the target speakers to be experts in expressing all styles and to collect corresponding recordings for model training. However, the performances of existing style transfer methods are still far behind real application needs. The root causes are mainly twofold. Firstly, the style embedding extracted from single reference speech can hardly provide fine-grained and appropriate prosody information for arbitrary text to synthesize. Secondly, in these models the content/text, prosody, and speaker timbre are usually highly entangled, it's therefore not realistic to expect a satisfied result when freely combining these components, such as to transfer speaking style between speakers. In this paper, we propose a cross-speaker style transfer text-to-speech (TTS) model with explicit prosody bottleneck. The prosody bottleneck builds up the kernels accounting for speaking style robustly, and disentangles the prosody from content and speaker timbre, therefore guarantees high quality cross-speaker style transfer. Evaluation result shows the proposed method even achieves on-par performance with source speaker's speaker-dependent (SD) model in objective measurement of prosody, and significantly outperforms the cycle consistency and GMVAE-based baselines in objective and subjective evaluations.
Florence: A New Foundation Model for Computer Vision	Automated visual understanding of our diverse and open world demands computer vision models to generalize well with minimal customization for specific tasks, similar to human vision. Computer vision foundation models, which are trained on diverse, large-scale dataset and can be adapted to a wide range of downstream tasks, are critical for this mission to solve real-world computer vision applications. While existing vision foundation models such as CLIP, ALIGN, and Wu Dao 2.0 focus mainly on mapping images and textual representations to a cross-modal shared representation, we introduce a new computer vision foundation model, Florence, to expand the representations from coarse (scene) to fine (object), from static (images) to dynamic (videos), and from RGB to multiple modalities (caption, depth). By incorporating universal visual-language representations from Web-scale image-text data, our Florence model can be easily adapted for various computer vision tasks, such as classification, retrieval, object detection, VQA, image caption, video retrieval and action recognition. Moreover, Florence demonstrates outstanding performance in many types of transfer learning: fully sampled fine-tuning, linear probing, few-shot transfer and zero-shot transfer for novel images and objects. All of these properties are critical for our vision foundation model to serve general purpose vision tasks. Florence achieves new state-of-the-art results in majority of 44 representative benchmarks, e.g., ImageNet-1K zero-shot classification with top-1 accuracy of 83.74 and the top-5 accuracy of 97.18, 62.4 mAP on COCO fine tuning, 80.36 on VQA, and 87.8 on Kinetics-600.
Model-Based Reinforcement Learning for Sepsis Treatment	Sepsis is a dangerous condition that is a leading cause of patient mortality. Treating sepsis is highly challenging, because individual patients respond very differently to medical interventions and there is no universally agreed-upon treatment for sepsis. In this work, we explore the use of continuous state-space model-based reinforcement learning (RL) to discover high-quality treatment policies for sepsis patients. Our quantitative evaluation reveals that by blending the treatment strategy discovered with RL with what clinicians follow, we can obtain improved policies, potentially allowing for better medical treatment for sepsis.
Skin lesion segmentation and classification using deep learning and handcrafted features	Accurate diagnostics of a skin lesion is a critical task in classification dermoscopic images. In this research, we form a new type of image features, called hybrid features, which has stronger discrimination ability than single method features. This study involves a new technique where we inject the handcrafted features or feature transfer into the fully connected layer of Convolutional Neural Network (CNN) model during the training process. Based on our literature review until now, no study has examined or investigated the impact on classification performance by injecting the handcrafted features into the CNN model during the training process. In addition, we also investigated the impact of segmentation mask and its effect on the overall classification performance. Our model achieves an 92.3% balanced multiclass accuracy, which is 6.8% better than the typical single method classifier architecture for deep learning.
Segmentation of Lungs COVID Infected Regions by Attention Mechanism and Synthetic Data	Coronavirus has caused hundreds of thousands of deaths. Fatalities could decrease if every patient could get suitable treatment by the healthcare system. Machine learning, especially computer vision methods based on deep learning, can help healthcare professionals diagnose and treat COVID-19 infected cases more efficiently. Hence, infected patients can get better service from the healthcare system and decrease the number of deaths caused by the coronavirus. This research proposes a method for segmenting infected lung regions in a CT image. For this purpose, a convolutional neural network with an attention mechanism is used to detect infected areas with complex patterns. Attention blocks improve the segmentation accuracy by focusing on informative parts of the image. Furthermore, a generative adversarial network generates synthetic images for data augmentation and expansion of small available datasets. Experimental results show the superiority of the proposed method compared to some existing procedures.
Towards Coinductive Models for Natural Language Understanding. Bringing together Deep Learning and Deep Semantics	This article contains a proposal to add coinduction to the computational apparatus of natural language understanding. This, we argue, will provide a basis for more realistic, computationally sound, and scalable models of natural language dialogue, syntax and semantics. Given that the bottom up, inductively constructed, semantic and syntactic structures are brittle, and seemingly incapable of adequately representing the meaning of longer sentences or realistic dialogues, natural language understanding is in need of a new foundation. Coinduction, which uses top down constraints, has been successfully used in the design of operating systems and programming languages. Moreover, implicitly it has been present in text mining, machine translation, and in some attempts to model intensionality and modalities, which provides evidence that it works. This article shows high level formalizations of some of such uses. Since coinduction and induction can coexist, they can provide a common language and a conceptual model for research in natural language understanding. In particular, such an opportunity seems to be emerging in research on compositionality. This article shows several examples of the joint appearance of induction and coinduction in natural language processing. We argue that the known individual limitations of induction and coinduction can be overcome in empirical settings by a combination of the the two methods. We see an open problem in providing a theory of their joint use.
Deep Radar Detector	While camera and LiDAR processing have been revolutionized since the introduction of deep learning, radar processing still relies on classical tools. In this paper, we introduce a deep learning approach for radar processing, working directly with the radar complex data. To overcome the lack of radar labeled data, we rely in training only on the radar calibration data and introduce new radar augmentation techniques. We evaluate our method on the radar 4D detection task and demonstrate superior performance compared to the classical approaches while keeping real-time performance. Applying deep learning on radar data has several advantages such as eliminating the need for an expensive radar calibration process each time and enabling classification of the detected objects with almost zero-overhead.
RECOWNs: Probabilistic Circuits for Trustworthy Time Series Forecasting	Time series forecasting is a relevant task that is performed in several real-world scenarios such as product sales analysis and prediction of energy demand. Given their accuracy performance, currently, Recurrent Neural Networks (RNNs) are the models of choice for this task. Despite their success in time series forecasting, less attention has been paid to make the RNNs trustworthy. For example, RNNs can not naturally provide an uncertainty measure to their predictions. This could be extremely useful in practice in several cases e.g. to detect when a prediction might be completely wrong due to an unusual pattern in the time series. Whittle Sum-Product Networks (WSPNs), prominent deep tractable probabilistic circuits (PCs) for time series, can assist an RNN with providing meaningful probabilities as uncertainty measure. With this aim, we propose RECOWN, a novel architecture that employs RNNs and a discriminant variant of WSPNs called Conditional WSPNs (CWSPNs). We also formulate a Log-Likelihood Ratio Score as better estimation of uncertainty that is tailored to time series and Whittle likelihoods. In our experiments, we show that RECOWNs are accurate and trustworthy time series predictors, able to "know when they do not know".
Convergence of the Riemannian Langevin Algorithm	We study the Riemannian Langevin Algorithm for the problem of sampling from a distribution with density $\nu$ with respect to the natural measure on a manifold with metric $g$. We assume that the target density satisfies a log-Sobolev inequality with respect to the metric and prove that the manifold generalization of the Unadjusted Langevin Algorithm converges rapidly to $\nu$ for Hessian manifolds. This allows us to reduce the problem of sampling non-smooth (constrained) densities in ${\bf R}^n$ to sampling smooth densities over appropriate manifolds, while needing access only to the gradient of the log-density, and this, in turn, to sampling from the natural Brownian motion on the manifold. Our main analytic tools are (1) an extension of self-concordance to manifolds, and (2) a stochastic approach to bounding smoothness on manifolds. A special case of our approach is sampling isoperimetric densities restricted to polytopes by using the metric defined by the logarithmic barrier.
Rapid Elastic Architecture Search under Specialized Classes and Resource Constraints	In many real-world applications, we often need to handle various deployment scenarios, where the resource constraint and the superclass of interest corresponding to a group of classes are dynamically specified. How to efficiently deploy deep models for diverse deployment scenarios is a new challenge. Previous NAS approaches seek to design architectures for all classes simultaneously, which may not be optimal for some individual superclasses. A straightforward solution is to search an architecture from scratch for each deployment scenario, which however is computation-intensive and impractical. To address this, we present a novel and general framework, called Elastic Architecture Search (EAS), permitting instant specializations at runtime for diverse superclasses with various resource constraints. To this end, we first propose to effectively train an over-parameterized network via a superclass dropout strategy during training. In this way, the resulting model is robust to the subsequent superclasses dropping at inference time. Based on the well-trained over-parameterized network, we then propose an efficient architecture generator to obtain promising architectures within a single forward pass. Experiments on three image classification datasets show that EAS is able to find more compact networks with better performance while remarkably being orders of magnitude faster than state-of-the-art NAS methods, e.g., outperforming OFA (once-for-all) by 1.3% on Top-1 accuracy at a budget around 361M #MAdds on ImageNet-10. More critically, EAS is able to find compact architectures within 0.1 second for 50 deployment scenarios.
Toward Policy Explanations for Multi-Agent Reinforcement Learning	Advances in multi-agent reinforcement learning (MARL) enable sequential decision making for a range of exciting multi-agent applications such as cooperative AI and autonomous driving. Explaining agent decisions is crucial for improving system transparency, increasing user satisfaction, and facilitating human-agent collaboration. However, existing works on explainable reinforcement learning mostly focus on the single-agent setting and are not suitable for addressing challenges posed by multi-agent environments. We present novel methods to generate two types of policy explanations for MARL: (i) policy summarization about the agent cooperation and task sequence, and (ii) language explanations to answer queries about agent behavior. Experimental results on three MARL domains demonstrate the scalability of our methods. A user study shows that the generated explanations significantly improve user performance and increase subjective ratings on metrics such as user satisfaction.
On Extreme Pruning of Random Forest Ensembles for Real-time Predictive Applications	Random Forest (RF) is an ensemble supervised machine learning technique that was developed by Breiman over a decade ago. Compared with other ensemble techniques, it has proved its accuracy and superiority. Many researchers, however, believe that there is still room for enhancing and improving its performance accuracy. This explains why, over the past decade, there have been many extensions of RF where each extension employed a variety of techniques and strategies to improve certain aspect(s) of RF. Since it has been proven empiricallthat ensembles tend to yield better results when there is a significant diversity among the constituent models, the objective of this paper is twofold. First, it investigates how data clustering (a well known diversity technique) can be applied to identify groups of similar decision trees in an RF in order to eliminate redundant trees by selecting a representative from each group (cluster). Second, these likely diverse representatives are then used to produce an extension of RF termed CLUB-DRF that is much smaller in size than RF, and yet performs at least as good as RF, and mostly exhibits higher performance in terms of accuracy. The latter refers to a known technique called ensemble pruning. Experimental results on 15 real datasets from the UCI repository prove the superiority of our proposed extension over the traditional RF. Most of our experiments achieved at least 95% or above pruning level while retaining or outperforming the RF accuracy.
Graph Coarsening with Neural Networks	As large-scale graphs become increasingly more prevalent, it poses significant computational challenges to process, extract and analyze large graph data. Graph coarsening is one popular technique to reduce the size of a graph while maintaining essential properties. Despite rich graph coarsening literature, there is only limited exploration of data-driven methods in the field. In this work, we leverage the recent progress of deep learning on graphs for graph coarsening. We first propose a framework for measuring the quality of coarsening algorithm and show that depending on the goal, we need to carefully choose the Laplace operator on the coarse graph and associated projection/lift operators. Motivated by the observation that the current choice of edge weight for the coarse graph may be sub-optimal, we parametrize the weight assignment map with graph neural networks and train it to improve the coarsening quality in an unsupervised way. Through extensive experiments on both synthetic and real networks, we demonstrate that our method significantly improves common graph coarsening methods under various metrics, reduction ratios, graph sizes, and graph types. It generalizes to graphs of larger size ($25\times$ of training graphs), is adaptive to different losses (differentiable and non-differentiable), and scales to much larger graphs than previous work.
Sparse and Non-Negative BSS for Noisy Data	Non-negative blind source separation (BSS) has raised interest in various fields of research, as testified by the wide literature on the topic of non-negative matrix factorization (NMF). In this context, it is fundamental that the sources to be estimated present some diversity in order to be efficiently retrieved. Sparsity is known to enhance such contrast between the sources while producing very robust approaches, especially to noise. In this paper we introduce a new algorithm in order to tackle the blind separation of non-negative sparse sources from noisy measurements. We first show that sparsity and non-negativity constraints have to be carefully applied on the sought-after solution. In fact, improperly constrained solutions are unlikely to be stable and are therefore sub-optimal. The proposed algorithm, named nGMCA (non-negative Generalized Morphological Component Analysis), makes use of proximal calculus techniques to provide properly constrained solutions. The performance of nGMCA compared to other state-of-the-art algorithms is demonstrated by numerical experiments encompassing a wide variety of settings, with negligible parameter tuning. In particular, nGMCA is shown to provide robustness to noise and performs well on synthetic mixtures of real NMR spectra.
Automatic Storage Structure Selection for hybrid Workload	In the use of database systems, the design of the storage engine and data model directly affects the performance of the database when performing queries. Therefore, the users of the database need to select the storage engine and design data model according to the workload encountered. However, in a hybrid workload, the query set of the database is dynamically changing, and the design of its optimal storage structure is also changing. Motivated by this, we propose an automatic storage structure selection system based on learning cost, which is used to dynamically select the optimal storage structure of the database under hybrid workloads. In the system, we introduce a machine learning method to build a cost model for the storage engine, and a column-oriented data layout generation algorithm. Experimental results show that the proposed system can choose the optimal combination of storage engine and data model according to the current workload, which greatly improves the performance of the default storage structure. And the system is designed to be compatible with different storage engines for easy use in practical applications.
Energy Consumption and Battery Aging Minimization Using a Q-learning Strategy for a Battery/Ultracapacitor Electric Vehicle	Propulsion system electrification revolution has been undergoing in the automotive industry. The electrified propulsion system improves energy efficiency and reduces the dependence on fossil fuel. However, the batteries of electric vehicles experience degradation process during vehicle operation. Research considering both battery degradation and energy consumption in battery/ supercapacitor electric vehicles is still lacking. This study proposes a Q-learning-based strategy to minimize battery degradation and energy consumption. Besides Q-learning, two heuristic energy management methods are also proposed and optimized using Particle Swarm Optimization algorithm. A vehicle propulsion system model is first presented, where the severity factor battery degradation model is considered and experimentally validated with the help of Genetic Algorithm. In the results analysis, Q-learning is first explained with the optimal policy map after learning. Then, the result from a vehicle without ultracapacitor is used as the baseline, which is compared with the results from the vehicle with ultracapacitor using Q-learning, and two heuristic methods as the energy management strategies. At the learning and validation driving cycles, the results indicate that the Q-learning strategy slows down the battery degradation by 13-20% and increases the vehicle range by 1.5-2% compared with the baseline vehicle without ultracapacitor.
PhysioGAN: Training High Fidelity Generative Model for Physiological Sensor Readings	Generative models such as the variational autoencoder (VAE) and the generative adversarial networks (GAN) have proven to be incredibly powerful for the generation of synthetic data that preserves statistical properties and utility of real-world datasets, especially in the context of image and natural language text. Nevertheless, until now, there has no successful demonstration of how to apply either method for generating useful physiological sensory data. The state-of-the-art techniques in this context have achieved only limited success. We present PHYSIOGAN, a generative model to produce high fidelity synthetic physiological sensor data readings. PHYSIOGAN consists of an encoder, decoder, and a discriminator. We evaluate PHYSIOGAN against the state-of-the-art techniques using two different real-world datasets: ECG classification and activity recognition from motion sensors datasets. We compare PHYSIOGAN to the baseline models not only the accuracy of class conditional generation but also the sample diversity and sample novelty of the synthetic datasets. We prove that PHYSIOGAN generates samples with higher utility than other generative models by showing that classification models trained on only synthetic data generated by PHYSIOGAN have only 10% and 20% decrease in their classification accuracy relative to classification models trained on the real data. Furthermore, we demonstrate the use of PHYSIOGAN for sensor data imputation in creating plausible results.
Caffe Barista: Brewing Caffe with FPGAs in the Training Loop	As the complexity of deep learning (DL) models increases, their compute requirements increase accordingly. Deploying a Convolutional Neural Network (CNN) involves two phases: training and inference. With the inference task typically taking place on resource-constrained devices, a lot of research has explored the field of low-power inference on custom hardware accelerators. On the other hand, training is both more compute- and memory-intensive and is primarily performed on power-hungry GPUs in large-scale data centres. CNN training on FPGAs is a nascent field of research. This is primarily due to the lack of tools to easily prototype and deploy various hardware and/or algorithmic techniques for power-efficient CNN training. This work presents Barista, an automated toolflow that provides seamless integration of FPGAs into the training of CNNs within the popular deep learning framework Caffe. To the best of our knowledge, this is the only tool that allows for such versatile and rapid deployment of hardware and algorithms for the FPGA-based training of CNNs, providing the necessary infrastructure for further research and development.
Spatiotemporal Dilated Convolution with Uncertain Matching for Video-based Crowd Estimation	In this paper, we propose a novel SpatioTemporal convolutional Dense Network (STDNet) to address the video-based crowd counting problem, which contains the decomposition of 3D convolution and the 3D spatiotemporal dilated dense convolution to alleviate the rapid growth of the model size caused by the Conv3D layer. Moreover, since the dilated convolution extracts the multiscale features, we combine the dilated convolution with the channel attention block to enhance the feature representations. Due to the error that occurs from the difficulty of labeling crowds, especially for videos, imprecise or standard-inconsistent labels may lead to poor convergence for the model. To address this issue, we further propose a new patch-wise regression loss (PRL) to improve the original pixel-wise loss. Experimental results on three video-based benchmarks, i.e., the UCSD, Mall and WorldExpo'10 datasets, show that STDNet outperforms both image- and video-based state-of-the-art methods. The source codes are released at \url{https://github.com/STDNet/STDNet}.
Lifelong Learning Metrics	The DARPA Lifelong Learning Machines (L2M) program seeks to yield advances in artificial intelligence (AI) systems so that they are capable of learning (and improving) continuously, leveraging data on one task to improve performance on another, and doing so in a computationally sustainable way. Performers on this program developed systems capable of performing a diverse range of functions, including autonomous driving, real-time strategy, and drone simulation. These systems featured a diverse range of characteristics (e.g., task structure, lifetime duration), and an immediate challenge faced by the program's testing and evaluation team was measuring system performance across these different settings. This document, developed in close collaboration with DARPA and the program performers, outlines a formalism for constructing and characterizing the performance of agents performing lifelong learning scenarios.
A Closer Look at Deep Learning Heuristics: Learning rate restarts, Warmup and Distillation	The convergence rate and final performance of common deep learning models have significantly benefited from heuristics such as learning rate schedules, knowledge distillation, skip connections, and normalization layers. In the absence of theoretical underpinnings, controlled experiments aimed at explaining these strategies can aid our understanding of deep learning landscapes and the training dynamics. Existing approaches for empirical analysis rely on tools of linear interpolation and visualizations with dimensionality reduction, each with their limitations. Instead, we revisit such analysis of heuristics through the lens of recently proposed methods for loss surface and representation analysis, viz., mode connectivity and canonical correlation analysis (CCA), and hypothesize reasons for the success of the heuristics. In particular, we explore knowledge distillation and learning rate heuristics of (cosine) restarts and warmup using mode connectivity and CCA. Our empirical analysis suggests that: (a) the reasons often quoted for the success of cosine annealing are not evidenced in practice; (b) that the effect of learning rate warmup is to prevent the deeper layers from creating training instability; and (c) that the latent knowledge shared by the teacher is primarily disbursed to the deeper layers.
Efficient Permutation Discovery in Causal DAGs	The problem of learning a directed acyclic graph (DAG) up to Markov equivalence is equivalent to the problem of finding a permutation of the variables that induces the sparsest graph. Without additional assumptions, this task is known to be NP-hard. Building on the minimum degree algorithm for sparse Cholesky decomposition, but utilizing DAG-specific problem structure, we introduce an efficient algorithm for finding such sparse permutations. We show that on jointly Gaussian distributions, our method with depth $w$ runs in $O(p^{w+3})$ time. We compare our method with $w = 1$ to algorithms for finding sparse elimination orderings of undirected graphs, and show that taking advantage of DAG-specific problem structure leads to a significant improvement in the discovered permutation. We also compare our algorithm to provably consistent causal structure learning algorithms, such as the PC algorithm, GES, and GSP, and show that our method achieves comparable performance with a shorter runtime. Thus, our method can be used on its own for causal structure discovery. Finally, we show that there exist dense graphs on which our method achieves almost perfect performance, so that unlike most existing causal structure learning algorithms, the situations in which our algorithm achieves both good performance and good runtime are not limited to sparse graphs.
A Dynamic Meta-Learning Model for Time-Sensitive Cold-Start Recommendations	We present a novel dynamic recommendation model that focuses on users who have interactions in the past but turn relatively inactive recently. Making effective recommendations to these time-sensitive cold-start users is critical to maintain the user base of a recommender system. Due to the sparse recent interactions, it is challenging to capture these users' current preferences precisely. Solely relying on their historical interactions may also lead to outdated recommendations misaligned with their recent interests. The proposed model leverages historical and current user-item interactions and dynamically factorizes a user's (latent) preference into time-specific and time-evolving representations that jointly affect user behaviors. These latent factors further interact with an optimized item embedding to achieve accurate and timely recommendations. Experiments over real-world data help demonstrate the effectiveness of the proposed time-sensitive cold-start recommendation model.
An FPGA Accelerated Method for Training Feed-forward Neural Networks Using Alternating Direction Method of Multipliers and LSMR	In this project, we have successfully designed, implemented, deployed and tested a novel FPGA accelerated algorithm for neural network training. The algorithm itself was developed in an independent study option. This training method is based on Alternating Direction Method of Multipliers algorithm, which has strong parallel characteristics and avoids procedures such as matrix inversion that are problematic in hardware designs by employing LSMR. As an intermediate stage, we fully implemented the ADMM-LSMR method in C language for feed-forward neural networks with a flexible number of layers and hidden size. We demonstrated that the method can operate with fixed-point arithmetic without compromising the accuracy. Next, we devised an FPGA accelerated version of the algorithm using Intel FPGA SDK for OpenCL and performed extensive optimisation stages followed by successful deployment of the program on an Intel Arria 10 GX FPGA. The FPGA accelerated program showed up to 6 times speed up comparing to equivalent CPU implementation while achieving promising accuracy.
Learning Social Image Embedding with Deep Multimodal Attention Networks	Learning social media data embedding by deep models has attracted extensive research interest as well as boomed a lot of applications, such as link prediction, classification, and cross-modal search. However, for social images which contain both link information and multimodal contents (e.g., text description, and visual content), simply employing the embedding learnt from network structure or data content results in sub-optimal social image representation. In this paper, we propose a novel social image embedding approach called Deep Multimodal Attention Networks (DMAN), which employs a deep model to jointly embed multimodal contents and link information. Specifically, to effectively capture the correlations between multimodal contents, we propose a multimodal attention network to encode the fine-granularity relation between image regions and textual words. To leverage the network structure for embedding learning, a novel Siamese-Triplet neural network is proposed to model the links among images. With the joint deep model, the learnt embedding can capture both the multimodal contents and the nonlinear network information. Extensive experiments are conducted to investigate the effectiveness of our approach in the applications of multi-label classification and cross-modal search. Compared to state-of-the-art image embeddings, our proposed DMAN achieves significant improvement in the tasks of multi-label classification and cross-modal search.
Learning JPEG Compression Artifacts for Image Manipulation Detection and Localization	Detecting and localizing image manipulation are necessary to counter malicious use of image editing techniques. Accordingly, it is essential to distinguish between authentic and tampered regions by analyzing intrinsic statistics in an image. We focus on JPEG compression artifacts left during image acquisition and editing. We propose a convolutional neural network (CNN) that uses discrete cosine transform (DCT) coefficients, where compression artifacts remain, to localize image manipulation. Standard CNNs cannot learn the distribution of DCT coefficients because the convolution throws away the spatial coordinates, which are essential for DCT coefficients. We illustrate how to design and train a neural network that can learn the distribution of DCT coefficients. Furthermore, we introduce Compression Artifact Tracing Network (CAT-Net) that jointly uses image acquisition artifacts and compression artifacts. It significantly outperforms traditional and deep neural network-based methods in detecting and localizing tampered regions.
Clustering and Recognition of Spatiotemporal Features through Interpretable Embedding of Sequence to Sequence Recurrent Neural Networks	Encoder-decoder recurrent neural network models (RNN Seq2Seq) have achieved great success in ubiquitous areas of computation and applications. It was shown to be successful in modeling data with both temporal and spatial dependencies for translation or prediction tasks. In this study, we propose an embedding approach to visualize and interpret the representation of data by these models. Furthermore, we show that the embedding is an effective method for unsupervised learning and can be utilized to estimate the optimality of model training. In particular, we demonstrate that embedding space projections of the decoder states of RNN Seq2Seq model trained on sequences prediction are organized in clusters capturing similarities and differences in the dynamics of these sequences. Such performance corresponds to an unsupervised clustering of any spatio-temporal features and can be employed for time-dependent problems such as temporal segmentation, clustering of dynamic activity, self-supervised classification, action recognition, failure prediction, etc. We test and demonstrate the application of the embedding methodology to time-sequences of 3D human body poses. We show that the methodology provides a high-quality unsupervised categorization of movements.
Smart Choices and the Selection Monad	Describing systems in terms of choices and their resulting costs and rewards offers the promise of freeing algorithm designers and programmers from specifying how those choices should be made; in implementations, the choices can be realized by optimization techniques and, increasingly, by machine-learning methods. We study this approach from a programming-language perspective. We define two small languages that support decision-making abstractions: one with choices and rewards, and the other additionally with probabilities. We give both operational and denotational semantics. In the case of the second language we consider three denotational semantics, with varying degrees of correlation between possible program values and expected rewards. The operational semantics combine the usual semantics of standard constructs with optimization over spaces of possible execution strategies. The denotational semantics, which are compositional, rely on the selection monad, to handle choice, augmented with an auxiliary monad to handle other effects, such as rewards or probability. We establish adequacy theorems that the two semantics coincide in all cases. We also prove full abstraction at base types, with varying notions of observation in the probabilistic case corresponding to the various degrees of correlation. We present axioms for choice combined with rewards and probability, establishing completeness at base types for the case of rewards without probability.
Drawing Inductor Layout with a Reinforcement Learning Agent: Method and Application for VCO Inductors	Design of Voltage-Controlled Oscillator (VCO) inductors is a laborious and time-consuming task that is conventionally done manually by human experts. In this paper, we propose a framework for automating the design of VCO inductors, using Reinforcement Learning (RL). We formulate the problem as a sequential procedure, where wire segments are drawn one after another, until a complete inductor is created. We then employ an RL agent to learn to draw inductors that meet certain target specifications. In light of the need to tweak the target specifications throughout the circuit design cycle, we also develop a variant in which the agent can learn to quickly adapt to draw new inductors for moderately different target specifications. Our empirical results show that the proposed framework is successful at automatically generating VCO inductors that meet or exceed the target specification.
Inference Suboptimality in Variational Autoencoders	Amortized inference allows latent-variable models trained via variational learning to scale to large datasets. The quality of approximate inference is determined by two factors: a) the capacity of the variational distribution to match the true posterior and b) the ability of the recognition network to produce good variational parameters for each datapoint. We examine approximate inference in variational autoencoders in terms of these factors. We find that divergence from the true posterior is often due to imperfect recognition networks, rather than the limited complexity of the approximating distribution. We show that this is due partly to the generator learning to accommodate the choice of approximation. Furthermore, we show that the parameters used to increase the expressiveness of the approximation play a role in generalizing inference rather than simply improving the complexity of the approximation.
DeepCancer: Detecting Cancer through Gene Expressions via Deep Generative Learning	Transcriptional profiling on microarrays to obtain gene expressions has been used to facilitate cancer diagnosis. We propose a deep generative machine learning architecture (called DeepCancer) that learn features from unlabeled microarray data. These models have been used in conjunction with conventional classifiers that perform classification of the tissue samples as either being cancerous or non-cancerous. The proposed model has been tested on two different clinical datasets. The evaluation demonstrates that DeepCancer model achieves a very high precision score, while significantly controlling the false positive and false negative scores.
Improved Certified Defenses against Data Poisoning with (Deterministic) Finite Aggregation	Data poisoning attacks aim at manipulating model behaviors through distorting training data. Previously, an aggregation-based certified defense, Deep Partition Aggregation (DPA), was proposed to mitigate this threat. DPA predicts through an aggregation of base classifiers trained on disjoint subsets of data, thus restricting its sensitivity to dataset distortions. In this work, we propose an improved certified defense against general poisoning attacks, namely Finite Aggregation. In contrast to DPA, which directly splits the training set into disjoint subsets, our method first splits the training set into smaller disjoint subsets and then combines duplicates of them to build larger (but not disjoint) subsets for training base classifiers. This reduces the worst-case impacts of poison samples and thus improves certified robustness bounds. In addition, we offer an alternative view of our method, bridging the designs of deterministic and stochastic aggregation-based certified defenses. Empirically, our proposed Finite Aggregation consistently improves certificates on MNIST, CIFAR-10, and GTSRB, boosting certified fractions by up to 3.05%, 3.87% and 4.77%, respectively, while keeping the same clean accuracies as DPA's, effectively establishing a new state of the art in (pointwise) certified robustness against data poisoning.
Hindsight Network Credit Assignment	We present Hindsight Network Credit Assignment (HNCA), a novel learning method for stochastic neural networks, which works by assigning credit to each neuron's stochastic output based on how it influences the output of its immediate children in the network. We prove that HNCA provides unbiased gradient estimates while reducing variance compared to the REINFORCE estimator. We also experimentally demonstrate the advantage of HNCA over REINFORCE in a contextual bandit version of MNIST. The computational complexity of HNCA is similar to that of backpropagation. We believe that HNCA can help stimulate new ways of thinking about credit assignment in stochastic compute graphs.
Multi network InfoMax: A pre-training method involving graph convolutional networks	Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent brain disorders. Model introspection of highly performant overparameterized deep learning (DL) models could help find these features and relations. However, to achieve high-performance level DL models require numerous labeled training samples ($n$) rarely available in many fields. This paper presents a pre-training method involving graph convolutional/neural networks (GCNs/GNNs), based on maximizing mutual information between two high-level embeddings of an input sample. Many of the recently proposed pre-training methods pre-train one of many possible networks of an architecture. Since almost every DL model is an ensemble of multiple networks, we take our high-level embeddings from two different networks of a model --a convolutional and a graph network--. The learned high-level graph latent representations help increase performance for downstream graph classification tasks and bypass the need for a high number of labeled data samples. We apply our method to a neuroimaging dataset for classifying subjects into healthy control (HC) and schizophrenia (SZ) groups. Our experiments show that the pre-trained model significantly outperforms the non-pre-trained model and requires $50\%$ less data for similar performance.
Detecting the Insider Threat with Long Short Term Memory (LSTM) Neural Networks	Information systems enable many organizational processes in every industry. The efficiencies and effectiveness in the use of information technologies create an unintended byproduct: misuse by existing users or somebody impersonating them - an insider threat. Detecting the insider threat may be possible if thorough analysis of electronic logs, capturing user behaviors, takes place. However, logs are usually very large and unstructured, posing significant challenges for organizations. In this study, we use deep learning, and most specifically Long Short Term Memory (LSTM) recurrent networks for enabling the detection. We demonstrate through a very large, anonymized dataset how LSTM uses the sequenced nature of the data for reducing the search space and making the work of a security analyst more effective.
Classification and Representation via Separable Subspaces: Performance Limits and Algorithms	We study the classification performance of Kronecker-structured models in two asymptotic regimes and developed an algorithm for separable, fast and compact K-S dictionary learning for better classification and representation of multidimensional signals by exploiting the structure in the signal. First, we study the classification performance in terms of diversity order and pairwise geometry of the subspaces. We derive an exact expression for the diversity order as a function of the signal and subspace dimensions of a K-S model. Next, we study the classification capacity, the maximum rate at which the number of classes can grow as the signal dimension goes to infinity. Then we describe a fast algorithm for Kronecker-Structured Learning of Discriminative Dictionaries (K-SLD2). Finally, we evaluate the empirical classification performance of K-S models for the synthetic data, showing that they agree with the diversity order analysis. We also evaluate the performance of K-SLD2 on synthetic and real-world datasets showing that the K-SLD2 balances compact signal representation and good classification performance.
Task-Relevant Object Discovery and Categorization for Playing First-person Shooter Games	We consider the problem of learning to play first-person shooter (FPS) video games using raw screen images as observations and keyboard inputs as actions. The high-dimensionality of the observations in this type of applications leads to prohibitive needs of training data for model-free methods, such as the deep Q-network (DQN), and its recurrent variant DRQN. Thus, recent works focused on learning low-dimensional representations that may reduce the need for data. This paper presents a new and efficient method for learning such representations. Salient segments of consecutive frames are detected from their optical flow, and clustered based on their feature descriptors. The clusters typically correspond to different discovered categories of objects. Segments detected in new frames are then classified based on their nearest clusters. Because only a few categories are relevant to a given task, the importance of a category is defined as the correlation between its occurrence and the agent's performance. The result is encoded as a vector indicating objects that are in the frame and their locations, and used as a side input to DRQN. Experiments on the game Doom provide a good evidence for the benefit of this approach.
Identification of Probability weighted ARX models with arbitrary domains	Hybrid system identification is a key tool to achieve reliable models of Cyber-Physical Systems from data. PieceWise Affine models guarantees universal approximation, local linearity and equivalence to other classes of hybrid system. Still, PWA identification is a challenging problem, requiring the concurrent solution of regression and classification tasks. In this work, we focus on the identification of PieceWise Auto Regressive with eXogenous input models with arbitrary regions (NPWARX), thus not restricted to polyhedral domains, and characterized by discontinuous maps. To this end, we propose a method based on a probabilistic mixture model, where the discrete state is represented through a multinomial distribution conditioned by the input regressors. The architecture is conceived following the Mixture of Expert concept, developed within the machine learning field. To achieve nonlinear partitioning, we parametrize the discriminant function using a neural network. Then, the parameters of both the ARX submodels and the classifier are concurrently estimated by maximizing the likelihood of the overall model using Expectation Maximization. The proposed method is demonstrated on a nonlinear piece-wise problem with discontinuous maps.
Static analysis of executable files by machine learning methods	The paper describes how to detect malicious executable files based on static analysis of their binary content. The stages of pre-processing and cleaning data extracted from different areas of executable files are analyzed. Methods of encoding categorical attributes of executable files are considered, as are ways to reduce the feature field dimension and select characteristic features in order to effectively represent samples of binary executable files for further training classifiers. An ensemble training approach was applied in order to aggregate forecasts from each classifier, and an ensemble of classifiers of various feature groups of executable file attributes was created in order to subsequently develop a system for detecting malicious files in an uninsulated environment.
Stochastic Adversarial Koopman Model for Dynamical Systems	Dynamical systems are ubiquitous and are often modeled using a non-linear system of governing equations. Numerical solution procedures for many dynamical systems have existed for several decades, but can be slow due to high-dimensional state space of the dynamical system. Thus, deep learning-based reduced order models (ROMs) are of interest and one such family of algorithms along these lines are based on the Koopman theory. This paper extends a recently developed adversarial Koopman model (Balakrishnan \& Upadhyay, arXiv:2006.05547) to stochastic space, where the Koopman operator applies on the probability distribution of the latent encoding of an encoder. Specifically, the latent encoding of the system is modeled as a Gaussian, and is advanced in time by using an auxiliary neural network that outputs two Koopman matrices $K_{\mu}$ and $K_{\sigma}$. Adversarial and gradient losses are used and this is found to lower the prediction errors. A reduced Koopman formulation is also undertaken where the Koopman matrices are assumed to have a tridiagonal structure, and this yields predictions comparable to the baseline model with full Koopman matrices. The efficacy of the stochastic Koopman model is demonstrated on different test problems in chaos, fluid dynamics, combustion, and reaction-diffusion models. The proposed model is also applied in a setting where the Koopman matrices are conditioned on other input parameters for generalization and this is applied to simulate the state of a Lithium-ion battery in time. The Koopman models discussed in this study are very promising for the wide range of problems considered.
Opponent Aware Reinforcement Learning	We introduce Threatened Markov Decision Processes (TMDPs) as an extension of the classical Markov Decision Process framework for Reinforcement Learning (RL). TMDPs allow suporting a decision maker against potential opponents in a RL context. We also propose a level-k thinking scheme resulting in a novel learning approach to deal with TMDPs. After introducing our framework and deriving theoretical results, relevant empirical evidence is given via extensive experiments, showing the benefits of accounting for adversaries in RL while the agent learns
Understanding the Spread of COVID-19 Epidemic: A Spatio-Temporal Point Process View	Since the first coronavirus case was identified in the U.S. on Jan. 21, more than 1 million people in the U.S. have confirmed cases of COVID-19. This infectious respiratory disease has spread rapidly across more than 3000 counties and 50 states in the U.S. and have exhibited evolutionary clustering and complex triggering patterns. It is essential to understand the complex spacetime intertwined propagation of this disease so that accurate prediction or smart external intervention can be carried out. In this paper, we model the propagation of the COVID-19 as spatio-temporal point processes and propose a generative and intensity-free model to track the spread of the disease. We further adopt a generative adversarial imitation learning framework to learn the model parameters. In comparison with the traditional likelihood-based learning methods, this imitation learning framework does not need to prespecify an intensity function, which alleviates the model-misspecification. Moreover, the adversarial learning procedure bypasses the difficult-to-evaluate integral involved in the likelihood evaluation, which makes the model inference more scalable with the data and variables. We showcase the dynamic learning performance on the COVID-19 confirmed cases in the U.S. and evaluate the social distancing policy based on the learned generative model.
Forecasting Daily Primary Three-Hour Net Load Ramps in the CAISO System	The deepening penetration of variable energy resources creates unprecedented challenges for system operators (SOs). An issue that merits special attention is the precipitous net load ramps, which require SOs to have flexible capacity at their disposal so as to maintain the supply-demand balance at all times. In the judicious procurement and deployment of flexible capacity, a tool that forecasts net load ramps may be of great assistance to SOs. To this end, we propose a methodology to forecast the magnitude and start time of daily primary three-hour net load ramps. We perform an extensive analysis so as to identify the factors that influence net load and draw on the identified factors to develop a forecasting methodology that harnesses the long short-term memory model. We demonstrate the effectiveness of the proposed methodology on the CAISO system using comparative assessments with selected benchmarks based on various evaluation metrics.
Improving out-of-distribution generalization via multi-task self-supervised pretraining	Self-supervised feature representations have been shown to be useful for supervised classification, few-shot learning, and adversarial robustness. We show that features obtained using self-supervised learning are comparable to, or better than, supervised learning for domain generalization in computer vision. We introduce a new self-supervised pretext task of predicting responses to Gabor filter banks and demonstrate that multi-task learning of compatible pretext tasks improves domain generalization performance as compared to training individual tasks alone. Features learnt through self-supervision obtain better generalization to unseen domains when compared to their supervised counterpart when there is a larger domain shift between training and test distributions and even show better localization ability for objects of interest. Self-supervised feature representations can also be combined with other domain generalization methods to further boost performance.
RPLHR-CT Dataset and Transformer Baseline for Volumetric Super-Resolution from CT Scans	In clinical practice, anisotropic volumetric medical images with low through-plane resolution are commonly used due to short acquisition time and lower storage cost. Nevertheless, the coarse resolution may lead to difficulties in medical diagnosis by either physicians or computer-aided diagnosis algorithms. Deep learning-based volumetric super-resolution (SR) methods are feasible ways to improve resolution, with convolutional neural networks (CNN) at their core. Despite recent progress, these methods are limited by inherent properties of convolution operators, which ignore content relevance and cannot effectively model long-range dependencies. In addition, most of the existing methods use pseudo-paired volumes for training and evaluation, where pseudo low-resolution (LR) volumes are generated by a simple degradation of their high-resolution (HR) counterparts. However, the domain gap between pseudo- and real-LR volumes leads to the poor performance of these methods in practice. In this paper, we build the first public real-paired dataset RPLHR-CT as a benchmark for volumetric SR, and provide baseline results by re-implementing four state-of-the-art CNN-based methods. Considering the inherent shortcoming of CNN, we also propose a transformer volumetric super-resolution network (TVSRN) based on attention mechanisms, dispensing with convolutions entirely. This is the first research to use a pure transformer for CT volumetric SR. The experimental results show that TVSRN significantly outperforms all baselines on both PSNR and SSIM. Moreover, the TVSRN method achieves a better trade-off between the image quality, the number of parameters, and the running time. Data and code are available at https://github.com/smilenaxx/RPLHR-CT.
EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graphs	Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{https://github.com/IBM/EvolveGCN}.
Maximum Entropy Auto-Encoding	In this paper, it is shown that an auto-encoder using optimal reconstruction significantly outperforms a conventional auto-encoder. Optimal reconstruction uses the conditional mean of the input given the features, under a maximum entropy prior distribution. The optimal reconstruction network, which is called deterministic projected belied network (D-PBN), resembles a standard reconstruction network, but with special non-linearities that mist be iteratively solved. The method, which can be seen as a generalization of maximum entropy image reconstruction, extends to multiple layers. In experiments, mean square reconstruction error reduced by up to a factor of two. The performance improvement diminishes for deeper networks, or for input data with unconstrained values (Gaussian assumption).
GRAPHITE: Generating Automatic Physical Examples for Machine-Learning Attacks on Computer Vision Systems	This paper investigates an adversary's ease of attack in generating adversarial examples for real-world scenarios. We address three key requirements for practical attacks for the real-world: 1) automatically constraining the size and shape of the attack so it can be applied with stickers, 2) transform-robustness, i.e., robustness of a attack to environmental physical variations such as viewpoint and lighting changes, and 3) supporting attacks in not only white-box, but also black-box hard-label scenarios, so that the adversary can attack proprietary models. In this work, we propose GRAPHITE, an efficient and general framework for generating attacks that satisfy the above three key requirements. GRAPHITE takes advantage of transform-robustness, a metric based on expectation over transforms (EoT), to automatically generate small masks and optimize with gradient-free optimization. GRAPHITE is also flexible as it can easily trade-off transform-robustness, perturbation size, and query count in black-box settings. On a GTSRB model in a hard-label black-box setting, we are able to find attacks on all possible 1,806 victim-target class pairs with averages of 77.8% transform-robustness, perturbation size of 16.63% of the victim images, and 126K queries per pair. For digital-only attacks where achieving transform-robustness is not a requirement, GRAPHITE is able to find successful small-patch attacks with an average of only 566 queries for 92.2% of victim-target pairs. GRAPHITE is also able to find successful attacks using perturbations that modify small areas of the input image against PatchGuard, a recently proposed defense against patch-based attacks.
Learning Non-Stationary Time-Series with Dynamic Pattern Extractions	The era of information explosion had prompted the accumulation of a tremendous amount of time-series data, including stationary and non-stationary time-series data. State-of-the-art algorithms have achieved a decent performance in dealing with stationary temporal data. However, traditional algorithms that tackle stationary time-series do not apply to non-stationary series like Forex trading. This paper investigates applicable models that can improve the accuracy of forecasting future trends of non-stationary time-series sequences. In particular, we focus on identifying potential models and investigate the effects of recognizing patterns from historical data. We propose a combination of \rebuttal{the} seq2seq model based on RNN, along with an attention mechanism and an enriched set features extracted via dynamic time warping and zigzag peak valley indicators. Customized loss functions and evaluating metrics have been designed to focus more on the predicting sequence's peaks and valley points. Our results show that our model can predict 4-hour future trends with high accuracy in the Forex dataset, which is crucial in realistic scenarios to assist foreign exchange trading decision making. We further provide evaluations of the effects of various loss functions, evaluation metrics, model variants, and components on model performance.
Foundations of Coupled Nonlinear Dimensionality Reduction	In this paper we introduce and analyze the learning scenario of \emph{coupled nonlinear dimensionality reduction}, which combines two major steps of machine learning pipeline: projection onto a manifold and subsequent supervised learning. First, we present new generalization bounds for this scenario and, second, we introduce an algorithm that follows from these bounds. The generalization error bound is based on a careful analysis of the empirical Rademacher complexity of the relevant hypothesis set. In particular, we show an upper bound on the Rademacher complexity that is in $\widetilde O(\sqrt{\Lambda_{(r)}/m})$, where $m$ is the sample size and $\Lambda_{(r)}$ the upper bound on the Ky-Fan $r$-norm of the associated kernel matrix. We give both upper and lower bound guarantees in terms of that Ky-Fan $r$-norm, which strongly justifies the definition of our hypothesis set. To the best of our knowledge, these are the first learning guarantees for the problem of coupled dimensionality reduction. Our analysis and learning guarantees further apply to several special cases, such as that of using a fixed kernel with supervised dimensionality reduction or that of unsupervised learning of a kernel for dimensionality reduction followed by a supervised learning algorithm. Based on theoretical analysis, we suggest a structural risk minimization algorithm consisting of the coupled fitting of a low dimensional manifold and a separation function on that manifold.
AMIDST: a Java Toolbox for Scalable Probabilistic Machine Learning	The AMIDST Toolbox is a software for scalable probabilistic machine learning with a spe- cial focus on (massive) streaming data. The toolbox supports a flexible modeling language based on probabilistic graphical models with latent variables and temporal dependencies. The specified models can be learnt from large data sets using parallel or distributed implementa- tions of Bayesian learning algorithms for either streaming or batch data. These algorithms are based on a flexible variational message passing scheme, which supports discrete and continu- ous variables from a wide range of probability distributions. AMIDST also leverages existing functionality and algorithms by interfacing to software tools such as Flink, Spark, MOA, Weka, R and HUGIN. AMIDST is an open source toolbox written in Java and available at http://www.amidsttoolbox.com under the Apache Software License version 2.0.
Lower and Upper Bounds on the VC-Dimension of Tensor Network Models	Tensor network methods have been a key ingredient of advances in condensed matter physics and have recently sparked interest in the machine learning community for their ability to compactly represent very high-dimensional objects. Tensor network methods can for example be used to efficiently learn linear models in exponentially large feature spaces [Stoudenmire and Schwab, 2016]. In this work, we derive upper and lower bounds on the VC dimension and pseudo-dimension of a large class of tensor network models for classification, regression and completion. Our upper bounds hold for linear models parameterized by arbitrary tensor network structures, and we derive lower bounds for common tensor decomposition models~(CP, Tensor Train, Tensor Ring and Tucker) showing the tightness of our general upper bound. These results are used to derive a generalization bound which can be applied to classification with low rank matrices as well as linear classifiers based on any of the commonly used tensor decomposition models. As a corollary of our results, we obtain a bound on the VC dimension of the matrix product state classifier introduced in [Stoudenmire and Schwab, 2016] as a function of the so-called bond dimension~(i.e. tensor train rank), which answers an open problem listed by Cirac, Garre-Rubio and P\'erez-Garc\'ia in [Cirac et al., 2019].
Low-confidence Samples Matter for Domain Adaptation	Domain adaptation (DA) aims to transfer knowledge from a label-rich source domain to a related but label-scarce target domain. The conventional DA strategy is to align the feature distributions of the two domains. Recently, increasing researches have focused on self-training or other semi-supervised algorithms to explore the data structure of the target domain. However, the bulk of them depend largely on confident samples in order to build reliable pseudo labels, prototypes or cluster centers. Representing the target data structure in such a way would overlook the huge low-confidence samples, resulting in sub-optimal transferability that is biased towards the samples similar to the source domain. To overcome this issue, we propose a novel contrastive learning method by processing low-confidence samples, which encourages the model to make use of the target data structure through the instance discrimination process. To be specific, we create positive and negative pairs only using low-confidence samples, and then re-represent the original features with the classifier weights rather than directly utilizing them, which can better encode the task-specific semantic information. Furthermore, we combine cross-domain mixup to augment the proposed contrastive loss. Consequently, the domain gap can be well bridged through contrastive learning of intermediate representations across domains. We evaluate the proposed method in both unsupervised and semi-supervised DA settings, and extensive experimental results on benchmarks reveal that our method is effective and achieves state-of-the-art performance. The code can be found in https://github.com/zhyx12/MixLRCo.
Text Classification and Clustering with Annealing Soft Nearest Neighbor Loss	We define disentanglement as how far class-different data points from each other are, relative to the distances among class-similar data points. When maximizing disentanglement during representation learning, we obtain a transformed feature representation where the class memberships of the data points are preserved. If the class memberships of the data points are preserved, we would have a feature representation space in which a nearest neighbour classifier or a clustering algorithm would perform well. We take advantage of this method to learn better natural language representation, and employ it on text classification and text clustering tasks. Through disentanglement, we obtain text representations with better-defined clusters and improve text classification performance. Our approach had a test classification accuracy of as high as 90.11% and test clustering accuracy of 88% on the AG News dataset, outperforming our baseline models -- without any other training tricks or regularization.
Context Encoding Chest X-rays	Chest X-rays are one of the most commonly used technologies for medical diagnosis. Many deep learning models have been proposed to improve and automate the abnormality detection task on this type of data. In this paper, we propose a different approach based on image inpainting under adversarial training first introduced by Goodfellow et al. We configure the context encoder model for this task and train it over 1.1M 128x128 images from healthy X-rays. The goal of our model is to reconstruct the missing central 64x64 patch. Once the model has learned how to inpaint healthy tissue, we test its performance on images with and without abnormalities. We discuss and motivate our results considering PSNR, MSE and SSIM scores as evaluation metrics. In addition, we conduct a 2AFC observer study showing that in half of the times an expert is unable to distinguish real images from the ones reconstructed using our model. By computing and visualizing the pixel-wise difference between the source and the reconstructed images, we can highlight abnormalities to simplify further detection and classification tasks.
Geometric features for voxel-based surface recognition	We introduce a library of geometric voxel features for CAD surface recognition/retrieval tasks. Our features include local versions of the intrinsic volumes (the usual 3D volume, surface area, integrated mean and Gaussian curvature) and a few closely related quantities. We also compute Haar wavelet and statistical distribution features by aggregating raw voxel features. We apply our features to object classification on the ESB data set and demonstrate accurate results with a small number of shallow decision trees.
Discovering Emerging Topics in Social Streams via Link Anomaly Detection	Detection of emerging topics are now receiving renewed interest motivated by the rapid growth of social networks. Conventional term-frequency-based approaches may not be appropriate in this context, because the information exchanged are not only texts but also images, URLs, and videos. We focus on the social aspects of theses networks. That is, the links between users that are generated dynamically intentionally or unintentionally through replies, mentions, and retweets. We propose a probability model of the mentioning behaviour of a social network user, and propose to detect the emergence of a new topic from the anomaly measured through the model. We combine the proposed mention anomaly score with a recently proposed change-point detection technique based on the Sequentially Discounting Normalized Maximum Likelihood (SDNML), or with Kleinberg's burst model. Aggregating anomaly scores from hundreds of users, we show that we can detect emerging topics only based on the reply/mention relationships in social network posts. We demonstrate our technique in a number of real data sets we gathered from Twitter. The experiments show that the proposed mention-anomaly-based approaches can detect new topics at least as early as the conventional term-frequency-based approach, and sometimes much earlier when the keyword is ill-defined.
Extending the step-size restriction for gradient descent to avoid strict saddle points	We provide larger step-size restrictions for which gradient descent based algorithms (almost surely) avoid strict saddle points. In particular, consider a twice differentiable (non-convex) objective function whose gradient has Lipschitz constant L and whose Hessian is well-behaved. We prove that the probability of initial conditions for gradient descent with step-size up to 2/L converging to a strict saddle point, given one uniformly random initialization, is zero. This extends previous results up to the sharp limit imposed by the convex case. In addition, the arguments hold in the case when a learning rate schedule is given, with either a continuous decaying rate or a piece-wise constant schedule.