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The problem of determining whether a given quantum state is entangled lies at the heart of quantum information processing, which is known to be an NP-hard problem in general. Despite the proposed many methods such as the positive partial…
Fragment-Based Drug Discovery (FBDD) is a popular approach in early drug development, but designing effective linkers to combine disconnected molecular fragments into chemically and pharmacologically viable candidates remains challenging.…
In this paper, we propose a structured feature learning framework to reason the correlations among body joints at the feature level in human pose estimation. Different from existing approaches of modelling structures on score maps or…
Convergence bounds are one of the main tools to obtain information on the performance of a distributed machine learning task, before running the task itself. In this work, we perform a set of experiments to assess to which extent, and in…
Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…
Leveraging ab initio data at scale has enabled the development of machine learning models capable of extremely accurate and fast molecular property prediction. A central paradigm of many previous works focuses on generating predictions for…
Deformable parts models show a great potential in tracking by principally addressing non-rigid object deformations and self occlusions, but according to recent benchmarks, they often lag behind the holistic approaches. The reason is that…
Seeking effective neural networks is a critical and practical field in deep learning. Besides designing the depth, type of convolution, normalization, and nonlinearities, the topological connectivity of neural networks is also important.…
Motion planning for robots of high degrees-of-freedom (DOFs) is an important problem in robotics with sampling-based methods in configuration space C as one popular solution. Recently, machine learning methods have been introduced into…
Multi-robot navigation in unknown, structurally constrained, and GPS-denied environments presents a fundamental trade-off between global strategic foresight and local tactical agility, particularly under limited communication. Centralized…
Composition is an important feature of a specification language, as it enables the design of a complex system in terms of a product of its parts. Decomposition is equally important in order to reason about structural properties of a system.…
Codebook-based beam selection is one approach for configuring millimeter wave communication links. The overhead required to reconfigure the transmit and receive beam pair, though, increases in highly dynamic vehicular communication systems.…
Link prediction is one of the fundamental problems in network analysis. In many applications, notably in genetics, a partially observed network may not contain any negative examples of absent edges, which creates a difficulty for many…
The behaviour of many real-world phenomena can be modelled by nonlinear dynamical systems whereby a latent system state is observed through a filter. We are interested in interacting subsystems of this form, which we model by a set of…
Inner product-based convolution has been a central component of convolutional neural networks (CNNs) and the key to learning visual representations. Inspired by the observation that CNN-learned features are naturally decoupled with the norm…
From the complex motions of robots to the oxygen binding of hemoglobin, the function of many mechanical systems depends on large, coordinated movements of their components. Such movements arise from a network of physical interactions in the…
Distance metric learning can be viewed as one of the fundamental interests in pattern recognition and machine learning, which plays a pivotal role in the performance of many learning methods. One of the effective methods in learning such a…
In this paper, we aim at automatically searching an efficient network architecture for dense image prediction. Particularly, we follow the encoder-decoder style and focus on designing a connectivity structure for the decoder. To achieve…
Methods for reconstructing the topology of complex networks from time-resolved observations of node dynamics are gaining relevance across scientific disciplines. Of biggest practical interest are methods that make no assumptions about…
Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…