In this work an iterative algorithm based on unsupervised learning is presented, specifically on a Restricted Boltzmann Machine (RBM) to solve a perfect matching problem on a bipartite weighted graph. Iteratively is calculated the weights $w_{ij}$ and the bias parameters $\theta = ( a_i, b_j) $ that maximize the energy function and assignment element $i$ to element $j$. An application of real problem is presented to show the potentiality of this algorithm.

Training deep neural networks often requires careful hyper-parameter tuning and significant computational resources. In this paper, we propose ConvTimeNet (CTN): an off-the-shelf deep convolutional neural network (CNN) trained on diverse univariate time series classification (TSC) source tasks. Once trained, CTN can be easily adapted to new TSC target tasks via a small amount of fine-tuning using labeled instances from the target tasks. We note that the length of convolutional filters is a key aspect when building a pre-trained model that can generalize to time series of different lengths across datasets. To achieve this, we incorporate filters of multiple lengths in all convolutional layers of CTN to capture temporal features at multiple time scales. We consider all 65 datasets with time series of lengths up to 512 points from the UCR TSC Benchmark for training and testing transferability of CTN: We train CTN on a randomly chosen subset of 24 datasets using a multi-head approach with a different softmax layer for each training dataset, and study generalizability and transferability of the learned filters on the remaining 41 TSC datasets. We observe significant gains in classification accuracy as well as computational efficiency when using pre-trained CTN as a starting point for subsequent task-specific fine-tuning compared to existing state-of-the-art TSC approaches. We also provide qualitative insights into the working of CTN by: i) analyzing the activations and filters of first convolution layer suggesting the filters in CTN are generically useful, ii) analyzing the impact of the design decision to incorporate multiple length decisions, and iii) finding regions of time series that affect the final classification decision via occlusion sensitivity analysis.

With an increasing demand for training powers for deep learning algorithms and the rapid growth of computation resources in data centers, it is desirable to dynamically schedule different distributed deep learning tasks to maximize resource utilization and reduce cost. In this process, different tasks may receive varying numbers of machines at different time, a setting we call elastic distributed training. Despite the recent successes in large mini-batch distributed training, these methods are rarely tested in elastic distributed training environments and suffer degraded performance in our experiments, when we adjust the learning rate linearly immediately with respect to the batch size. One difficulty we observe is that the noise in the stochastic momentum estimation is accumulated over time and will have delayed effects when the batch size changes. We therefore propose to smoothly adjust the learning rate over time to alleviate the influence of the noisy momentum estimation. Our experiments on image classification, object detection and semantic segmentation have demonstrated that our proposed Dynamic SGD method achieves stabilized performance when varying the number of GPUs from 8 to 128. We also provide theoretical understanding on the optimality of linear learning rate scheduling and the effects of stochastic momentum.

Text embedding representing natural language documents in a semantic vector space can be used for document retrieval using nearest neighbor lookup. In order to study the feasibility of neural models specialized for retrieval in a semantically meaningful way, we suggest the use of the Stanford Question Answering Dataset (SQuAD) in an open-domain question answering context, where the first task is to find paragraphs useful for answering a given question. First, we compare the quality of various text-embedding methods on the performance of retrieval and give an extensive empirical comparison on the performance of various non-augmented base embedding with, and without IDF weighting. Our main results are that by training deep residual neural models, specifically for retrieval purposes, can yield significant gains when it is used to augment existing embeddings. We also establish that deeper models are superior to this task. The best base baseline embeddings augmented by our learned neural approach improves the top-1 paragraph recall of the system by 14%.

Multilingual representations have mostly been evaluated based on their performance on specific tasks. In this article, we look beyond engineering goals and analyze the relations between languages in computational representations. We introduce a methodology for comparing languages based on their organization of semantic concepts. We propose to conduct an adapted version of representational similarity analysis of a selected set of concepts in computational multilingual representations. Using this analysis method, we can reconstruct a phylogenetic tree that closely resembles those assumed by linguistic experts. These results indicate that multilingual distributional representations which are only trained on monolingual text and bilingual dictionaries preserve relations between languages without the need for any etymological information. In addition, we propose a measure to identify semantic drift between language families. We perform experiments on word-based and sentence-based multilingual models and provide both quantitative results and qualitative examples. Analyses of semantic drift in multilingual representations can serve two purposes: they can indicate unwanted characteristics of the computational models and they provide a quantitative means to study linguistic phenomena across languages. The code is available at https://github.com/beinborn/SemanticDrift.

Modern intelligent transportation systems provide data that allow real-time demand prediction, which is essential for planning and operations. The main challenge of prediction of Origin-Destination (O-D) flow matrices is that demands cannot be directly measured by traffic sensors; instead, they have to be inferred from aggregate traffic flow data on traffic links. Specifically, spatial correlation, congestion and time dependent factors need to be considered in general transportation networks. In this paper we propose a novel O-D prediction framework based on Fusion Line Graph Convolutional Networks (FL-GCNs). We use FL-GCN to recognize spatial and temporal patterns simultaneously. The underlying road network topology is transformed into a corresponding line graph. This structure provides a general framework for predicting spatial-temporal O-D information from link traffic flows. Data from a New Jersey Turnpike network is used to evaluate the proposed model. The results show that FL-GCN can recognize spatial and temporal patterns. We also compare FL-GCN with Kalman filter; the results show that our model can outperform Kalman filter by 17.87% in predicting the whole O-D pairs.

Recent work has sought to understand the behavior of neural networks by comparing representations between layers and between different trained models. We examine methods for comparing neural network representations based on canonical correlation analysis (CCA). We show that CCA belongs to a family of statistics for measuring multivariate similarity, but that neither CCA nor any other statistic that is invariant to invertible linear transformation can measure meaningful similarities between representations of higher dimension than the number of data points. We introduce a similarity index that measures the relationship between representational similarity matrices and does not suffer from this limitation. This similarity index is equivalent to centered kernel alignment (CKA) and is also closely connected to CCA. Unlike CCA, CKA can reliably identify correspondences between representations in networks trained from different initializations.

Powerful adversarial attack methods are vital for understanding how to construct robust deep neural networks (DNNs) and for thoroughly testing defense techniques. In this paper, we propose a black-box adversarial attack algorithm that can defeat both vanilla DNNs and those generated by various defense techniques developed recently. Instead of searching for an "optimal" adversarial example for a benign input to a targeted DNN, our algorithm finds a probability density distribution over a small region centered around the input, such that a sample drawn from this distribution is likely an adversarial example, without the need of accessing the DNN's internal layers or weights. Our approach is universal as it can successfully attack different neural networks by a single algorithm. It is also strong; according to the testing against 2 vanilla DNNs and 13 defended ones, it outperforms state-of-the-art black-box or white-box attack methods for most test cases. Additionally, our results reveal that adversarial training remains one of the best defense techniques, and the adversarial examples are not as transferable across defended DNNs as them across vanilla DNNs.

We develop a unified model, known as MgNet, that simultaneously recovers some convolutional neural networks (CNN) for image classification and multigrid (MG) methods for solving discretized partial differential equations (PDEs). This model is based on close connections that we have observed and uncovered between the CNN and MG methodologies. For example, pooling operation and feature extraction in CNN correspond directly to restriction operation and iterative smoothers in MG, respectively. As the solution space is often the dual of the data space in PDEs, the analogous concept of feature space and data space (which are dual to each other) is introduced in CNN. With such connections and new concept in the unified model, the function of various convolution operations and pooling used in CNN can be better understood. As a result, modified CNN models (with fewer weights and hyper parameters) are developed that exhibit competitive and sometimes better performance in comparison with existing CNN models when applied to both CIFAR-10 and CIFAR-100 data sets.

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still plenty which remain undiscovered when the drugs are put on the market. Such accidents have been affecting an increasing proportion of the population (15% in the US now) and it is thus of high interest to be able to predict the potential side effects as early as possible. Systematic combinatorial screening of possible drug-drug interactions (DDI) is challenging and expensive. However, the recent significant increases in data availability from pharmaceutical research and development efforts offer a novel paradigm for recovering relevant insights for DDI prediction. Accordingly, several recent approaches focus on curating massive DDI datasets (with millions of examples) and training machine learning models on them. Here we propose a neural network architecture able to set state-of-the-art results on this task---using the type of the side-effect and the molecular structure of the drugs alone---by leveraging a co-attentional mechanism. In particular, we show the importance of integrating joint information from the drug pairs early on when learning each drug's representation.