scholarly journals Targeted Adversarial Learning Optimized Sampling

2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé
Keyword(s):  
Deep Learning ◽  
Optimal Transport ◽  
Dimensional Space ◽  
Optimization Techniques ◽  
Free Energy Barrier ◽  
Adversarial Learning ◽  
Bias Potential ◽  
Novel Approach ◽  
Transport Plan ◽  
Sampling Problem

<div>Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS), cross-fertilizes statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. TALOS can also simultaneously learn to extract good reaction coordinate from a high-dimensional space where bias potential is being constructed. Additionally, TALOS is shown to be closely related to reinforcement learning, giving rise to a new framework of manipulating Hamiltonian in order to fulfill user-specified tasks via deep learning.</div>

Targeted Adversarial Learning Optimized Sampling

2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé
Keyword(s):  
Deep Learning ◽  
Optimal Transport ◽  
Dimensional Space ◽  
Optimization Techniques ◽  
Free Energy Barrier ◽  
Adversarial Learning ◽  
New Approach ◽  
Novel Approach ◽  
Transport Plan ◽  
Sampling Problem

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>

Targeted Adversarial Learning Optimized Sampling

2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé
Keyword(s):  
Deep Learning ◽  
Optimal Transport ◽  
Dimensional Space ◽  
Optimization Techniques ◽  
Free Energy Barrier ◽  
Adversarial Learning ◽  
New Approach ◽  
Novel Approach ◽  
Transport Plan ◽  
Sampling Problem

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>

Targeted Adversarial Learning Optimized Sampling

2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé
Keyword(s):  
Deep Learning ◽  
Optimal Transport ◽  
Dimensional Space ◽  
Optimization Techniques ◽  
Free Energy Barrier ◽  
Adversarial Learning ◽  
New Approach ◽  
Novel Approach ◽  
Transport Plan ◽  
Sampling Problem

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>

A Survey of Network Embedding for Drug Analysis and Prediction

2020 ◽  
Vol 21 ◽  
Author(s):  
Zhixian Liu ◽  
Qingfeng Chen ◽  
Wei Lan ◽  
Jiahai Liang ◽  
Yiping Pheobe Chen ◽  
...  
Keyword(s):  
Deep Learning ◽  
Protein Function ◽  
Dimensional Space ◽  
Auxiliary Information ◽  
Matrix Decomposition ◽  
Drug Analysis ◽  
Machine Learning Algorithms ◽  
Superior Performance ◽  
Network Embedding ◽  
Similarity Estimation

: Traditional network-based computational methods have shown good results in drug analysis and prediction. However, these methods are time consuming and lack universality, and it is difficult to exploit the auxiliary information of nodes and edges. Network embedding provides a promising way for alleviating the above problems by transforming network into a low-dimensional space while preserving network structure and auxiliary information. This thus facilitates the application of machine learning algorithms for subsequent processing. Network embedding has been introduced into drug analysis and prediction in the last few years, and has shown superior performance over traditional methods. However, there is no systematic review of this issue. This article offers a comprehensive survey of the primary network embedding methods and their applications in drug analysis and prediction. The network embedding technologies applied in homogeneous network and heterogeneous network are investigated and compared, including matrix decomposition, random walk, and deep learning. Especially, the Graph neural network (GNN) methods in deep learning are highlighted. Further, the applications of network embedding in drug similarity estimation, drug-target interaction prediction, adverse drug reactions prediction, protein function and therapeutic peptides prediction are discussed. Several future potential research directions are also discussed.

scholarly journals Deep Learning for Transient Image Reconstruction from ToF Data

Sensors ◽  
2021 ◽  
Vol 21 (6) ◽  
pp. 1962
Author(s):  
Enrico Buratto ◽  
Adriano Simonetto ◽  
Gianluca Agresti ◽  
Henrik Schäfer ◽  
Pietro Zanuttigh
Keyword(s):  
Deep Learning ◽  
State Of The Art ◽  
Light Response ◽  
Real Data ◽  
Depth Image ◽  
Learning Approach ◽  
Multiple Reflections ◽  
Noisy Input ◽  
Novel Approach ◽  
Incoming Light

In this work, we propose a novel approach for correcting multi-path interference (MPI) in Time-of-Flight (ToF) cameras by estimating the direct and global components of the incoming light. MPI is an error source linked to the multiple reflections of light inside a scene; each sensor pixel receives information coming from different light paths which generally leads to an overestimation of the depth. We introduce a novel deep learning approach, which estimates the structure of the time-dependent scene impulse response and from it recovers a depth image with a reduced amount of MPI. The model consists of two main blocks: a predictive model that learns a compact encoded representation of the backscattering vector from the noisy input data and a fixed backscattering model which translates the encoded representation into the high dimensional light response. Experimental results on real data show the effectiveness of the proposed approach, which reaches state-of-the-art performances.

scholarly journals Exponential Estimates of a Class of Time–Delay Nonlinear Systems with Convex Representations

2015 ◽  
Vol 25 (4) ◽  
pp. 815-826 ◽  
Author(s):  
Máximo Ramírez ◽  
Raúl Villafuerte ◽  
Temoatzin González ◽  
Miguel Bernal
Keyword(s):  
Nonlinear Systems ◽  
Mimo System ◽  
Sufficient Conditions ◽  
Optimization Techniques ◽  
Linear Matrix ◽  
Exponential Estimates ◽  
Novel Approach ◽  
Guaranteed Cost ◽  
Stability And Stabilization ◽  
Twin Rotor Mimo System

Abstract This work introduces a novel approach to stability and stabilization of nonlinear systems with delayed multivariable inputs; it provides exponential estimates as well as a guaranteed cost of the system solutions. The result is based on an exact convex representation of the nonlinear system which allows a Lyapunov–Krasovskii functional to be applied in order to obtain sufficient conditions in the form of linear matrix inequalities. These are efficiently solved via convex optimization techniques. A real-time implementation of the developed approach on the twin rotor MIMO system is included.

scholarly journals Deep Learning-Based Object Detection for Unmanned Aerial Systems (UASs)-Based Inspections of Construction Stormwater Practices

Sensors ◽  
2021 ◽  
Vol 21 (8) ◽  
pp. 2834
Author(s):  
Billur Kazaz ◽  
Subhadipto Poddar ◽  
Saeed Arabi ◽  
Michael A. Perez ◽  
Anuj Sharma ◽  
...  
Keyword(s):  
Deep Learning ◽  
Object Detection ◽  
Pollution Prevention ◽  
Aerial Images ◽  
Unmanned Aerial Systems ◽  
Construction Sites ◽  
State Regulations ◽  
Novel Approach ◽  
Model Training ◽  
Aerial Systems

Construction activities typically create large amounts of ground disturbance, which can lead to increased rates of soil erosion. Construction stormwater practices are used on active jobsites to protect downstream waterbodies from offsite sediment transport. Federal and state regulations require routine pollution prevention inspections to ensure that temporary stormwater practices are in place and performing as intended. This study addresses the existing challenges and limitations in the construction stormwater inspections and presents a unique approach for performing unmanned aerial system (UAS)-based inspections. Deep learning-based object detection principles were applied to identify and locate practices installed on active construction sites. The system integrates a post-processing stage by clustering results. The developed framework consists of data preparation with aerial inspections, model training, validation of the model, and testing for accuracy. The developed model was created from 800 aerial images and was used to detect four different types of construction stormwater practices at 100% accuracy on the Mean Average Precision (MAP) with minimal false positive detections. Results indicate that object detection could be implemented on UAS-acquired imagery as a novel approach to construction stormwater inspections and provide accurate results for site plan comparisons by rapidly detecting the quantity and location of field-installed stormwater practices.

scholarly journals A novel approach to the classification of terrestrial drainage networks based on deep learning and preliminary results on solar system bodies

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Carlo Donadio ◽  
Massimo Brescia ◽  
Alessia Riccardo ◽  
Giuseppe Angora ◽  
Michele Delli Veneri ◽  
...  
Keyword(s):  
Deep Learning ◽  
Morphological Variations ◽  
Control Factors ◽  
Novel Approach ◽  
Drainage Networks ◽  
Key Characteristics ◽  
Intrinsic Complexity ◽  
Solar System Bodies ◽  
Manual Extraction

AbstractSeveral approaches were proposed to describe the geomorphology of drainage networks and the abiotic/biotic factors determining their morphology. There is an intrinsic complexity of the explicit qualification of the morphological variations in response to various types of control factors and the difficulty of expressing the cause-effect links. Traditional methods of drainage network classification are based on the manual extraction of key characteristics, then applied as pattern recognition schemes. These approaches, however, have low predictive and uniform ability. We present a different approach, based on the data-driven supervised learning by images, extended also to extraterrestrial cases. With deep learning models, the extraction and classification phase is integrated within a more objective, analytical, and automatic framework. Despite the initial difficulties, due to the small number of training images available, and the similarity between the different shapes of the drainage samples, we obtained successful results, concluding that deep learning is a valid way for data exploration in geomorphology and related fields.

A novel approach to increase the share of renewable purchase obligation for planning of distribution network including grid scale energy storage

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Jitendra Singh Bhadoriya ◽  
Atma Ram Gupta
Keyword(s):  
Energy Storage ◽  
Objective Function ◽  
Distributed Generation ◽  
Carbon Emissions ◽  
Distribution Network ◽  
Clean Energy ◽  
Distribution Networks ◽  
Optimization Techniques ◽  
Novel Approach ◽  
Demand Models

Abstract In recent times, producing electricity with lower carbon emissions has resulted in strong clean energy incorporation into the distribution network. The technical development of weather-driven renewable distributed generation units, the global approach to reducing pollution emissions, and the potential for independent power producers to engage in distribution network planning (DNP) based on the participation in the increasing share of renewable purchasing obligation (RPO) are some of the essential reasons for including renewable-based distributed generation (RBDG) as an expansion investment. The Grid-Scale Energy Storage System (GSESS) is proposed as a promising solution in the literature to boost the energy storage accompanied by RBDG and also to increase power generation. In this respect, the technological, economic, and environmental evaluation of the expansion of RBDG concerning the RPO is formulated in the objective function. Therefore, a novel approach to modeling the composite DNP problem in the regulated power system is proposed in this paper. The goal is to increase the allocation of PVDG, WTDG, and GSESS in DNP to improve the quicker retirement of the fossil fuel-based power plant to increase total profits for the distribution network operator (DNO), and improve the voltage deviation, reduce carbon emissions over a defined planning period. The increment in RPO and decrement in the power purchase agreement will help DNO to fulfill round-the-clock supply for all classes of consumers. A recently developed new metaheuristic transient search optimization (TSO) based on electrical storage elements’ stimulation behavior is implemented to find the optimal solution for multi-objective function. The balance between the exploration and exploitation capability makes the TSO suitable for the proposed power flow problem with PVDG, WTDG, and GSESS. For this research, the IEEE-33 and IEEE-69 low and medium bus distribution networks are considered under a defined load growth for planning duration with the distinct load demand models’ aggregation. The findings of the results after comparing with well-known optimization techniques DE and PSO confirm the feasibility of the method suggested.

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