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Retrosynthesis Prediction with Conditional Graph Logic Network

, , , ,  - 2020

Retrosynthesis is one of the fundamental problems in organic chemistry. The task is to identify reactants that can be used to synthesize a specified product molecule. Recently, computer-aided retrosynthesis is finding renewed interest from both chemistry and computer science communities. Most existing approaches rely on template-based models that...


Identifying Critical Neurons in ANN Architectures using Mixed Integer Programming

, ,  - 2020

We introduce a novel approach to optimize the architecture of deep neural networks by identifying critical neurons and removing non-critical ones. The proposed approach utilizes a mixed integer programming (MIP) formulation of neural models which includes a continuous importance score computed for each neuron in the network. The optimization in MIP...


Hybrid Deep Embedding for Recommendations with Dynamic Aspect-Level Explanations

, ,  - 2020

Explainable recommendation is far from being well solved partly due to three challenges. The first is the personalization of preference learning, which requires that different items/users have different contributions to the learning of user preference or item quality. The second one is dynamic explanation, which is crucial for the timeliness of r...


Evaluating Weakly Supervised Object Localization Methods Right

, , , , ,  - 2020

Weakly-supervised object localization (WSOL) has gained popularity over the last years for its promise to train localization models with only image-level labels. Since the seminal WSOL work of class activation mapping (CAM), the field has focused on how to expand the attention regions to cover objects more broadly and localize them better. Howeve...


Quantisation and Pruning for Neural Network Compression and Regularisation

, ,  - 2020

Deep neural networks are typically too computationally expensive to run in real-time on consumer-grade hardware and low-powered devices. In this paper, we investigate reducing the computational and memory requirements of neural networks through network pruning and quantisation. We examine their efficacy on large networks like AlexNet compared to ...


Simultaneous Enhancement and Super-Resolution of Underwater Imagery for Improved Visual Perception

, ,  - 2020

In this paper, we introduce and tackle the simultaneous enhancement and super-resolution (SESR) problem for underwater robot vision and provide an efficient solution for near real-time applications. We present Deep SESR, a residual-in-residual network-based generative model that can learn to restore perceptual image qualities at 2x, 3x, or 4x hig...


Multi-class Gaussian Process Classification with Noisy Inputs

, , ,  - 2020

It is a common practice in the supervised machine learning community to assume that the observed data are noise-free in the input attributes. Nevertheless, scenarios with input noise are common in real problems, as measurements are never perfectly accurate. If this input noise is not taken into account, a supervised machine learning method is exp...


R2DE: a NLP approach to estimating IRT parameters of newly generated questions

, , ,  - 2020

The main objective of exams consists in performing an assessment of students' expertise on a specific subject. Such expertise, also referred to as skill or knowledge level, can then be leveraged in different ways (e.g., to assign a grade to the students, to understand whether a student might need some support, etc.). Similarly, the questions appe...


Wasserstein Exponential Kernels

, ,  - 2020

In the context of kernel methods, the similarity between data points is encoded by the kernel function which is often defined thanks to the Euclidean distance, a common example being the squared exponential kernel. Recently, other distances relying on optimal transport theory - such as the Wasserstein distance between probability distributions - ...


Virtual to Real adaptation of Pedestrian Detectors for Smart Cities

, , , ,  - 2020

Pedestrian detection through computer vision is a building block for a multitude of applications in the context of smart cities, such as surveillance of sensitive areas, personal safety, monitoring, and control of pedestrian flow, to mention only a few. Recently, there was an increasing interest in deep learning architectures for performing such ...