Search Results for author: Lin Lin

Found 38 papers, 12 papers with code

A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions

no code implementations18 Jan 2024 Gil Goldshlager, Nilin Abrahamsen, Lin Lin

Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions prevents their application to larger systems.

Variational Monte Carlo

Anti-symmetric Barron functions and their approximation with sums of determinants

no code implementations22 Mar 2023 Nilin Abrahamsen, Lin Lin

A fundamental problem in quantum physics is to encode functions that are completely anti-symmetric under permutations of identical particles.

Convergence of variational Monte Carlo simulation and scale-invariant pre-training

no code implementations21 Mar 2023 Nilin Abrahamsen, Zhiyan Ding, Gil Goldshlager, Lin Lin

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem.

Variational Monte Carlo

Personalized Pricing with Invalid Instrumental Variables: Identification, Estimation, and Policy Learning

no code implementations24 Feb 2023 Rui Miao, Zhengling Qi, Cong Shi, Lin Lin

Specifically, relying on the structural models of revenue and price, we establish the identifiability condition of an optimal pricing strategy under endogeneity with the help of invalid instrumental variables.

Causal Inference Econometrics

Probabilistic Model Incorporating Auxiliary Covariates to Control FDR

no code implementations6 Oct 2022 Lin Qiu, Nils Murrugarra-Llerena, Vítor Silva, Lin Lin, Vernon M. Chinchilli

We incorporate auxiliary covariates among test-level covariates in a deep Black-Box framework controlling FDR (named as NeurT-FDR) which boosts statistical power and controls FDR for multiple-hypothesis testing.

Efficient anti-symmetrization of a neural network layer by taming the sign problem

no code implementations24 May 2022 Nilin Abrahamsen, Lin Lin

We show that the anti-symmetric projection of a two-layer neural network can be evaluated efficiently, opening the door to using a generic antisymmetric layer as a building block in anti-symmetric neural network Ansatzes.

Monte Carlo Tree Search based Hybrid Optimization of Variational Quantum Circuits

no code implementations30 Mar 2022 Jiahao Yao, Haoya Li, Marin Bukov, Lin Lin, Lexing Ying

Variational quantum algorithms stand at the forefront of simulations on near-term and future fault-tolerant quantum devices.

Automatic Depression Detection: An Emotional Audio-Textual Corpus and a GRU/BiLSTM-based Model

1 code implementation15 Feb 2022 Ying Shen, Huiyu Yang, Lin Lin

Depression is a global mental health problem, the worst case of which can lead to suicide.

Depression Detection

Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation

1 code implementation7 Dec 2021 Jeffmin Lin, Gil Goldshlager, Lin Lin

We then consider a factorized antisymmetric (FA) layer which more directly generalizes the FermiNet by replacing products of determinants with products of antisymmetrized neural networks.

Variational Monte Carlo

Adaptive Weighted Multi-View Clustering

no code implementations25 Oct 2021 Shuo Shuo Liu, Lin Lin

Learning multi-view data is an emerging problem in machine learning research, and nonnegative matrix factorization (NMF) is a popular dimensionality-reduction method for integrating information from multiple views.

Clustering Dimensionality Reduction

Mixture of Linear Models Co-supervised by Deep Neural Networks

no code implementations5 Aug 2021 Beomseok Seo, Lin Lin, Jia Li

Our main idea is a mixture of discriminative models that is trained with the guidance from a DNN.

Decision Making Explainable Models

Filters for ISI Suppression in Molecular Communication via Diffusion

no code implementations29 Apr 2021 Ruifeng Zheng, Lin Lin, Hao Yan

The extent that ISI and noise are suppressed in an MCvD system determines its effectiveness, especially at a high data rate.

NeurT-FDR: Controlling FDR by Incorporating Feature Hierarchy

2 code implementations24 Jan 2021 Lin Qiu, Nils Murrugarra-Llerena, Vítor Silva, Lin Lin, Vernon M. Chinchilli

Controlling false discovery rate (FDR) while leveraging the side information of multiple hypothesis testing is an emerging research topic in modern data science.

Time-dependent unbounded Hamiltonian simulation with vector norm scaling

no code implementations24 Dec 2020 Dong An, Di Fang, Lin Lin

We demonstrate that under suitable assumptions of the Hamiltonian and the initial vector, if the error is measured in terms of the vector norm, the computational cost may not increase at all as the norm of the Hamiltonian increases using Trotter type methods.

Quantum Physics Numerical Analysis Numerical Analysis

Noise-Robust End-to-End Quantum Control using Deep Autoregressive Policy Networks

no code implementations12 Dec 2020 Jiahao Yao, Paul Köttering, Hans Gundlach, Lin Lin, Marin Bukov

Variational quantum eigensolvers have recently received increased attention, as they enable the use of quantum computing devices to find solutions to complex problems, such as the ground energy and ground state of strongly-correlated quantum many-body systems.

reinforcement-learning Reinforcement Learning (RL)

Persistent Emission Properties of SGR J1935+2154 During Its 2020 Active Episode

no code implementations3 Dec 2020 Ersin Gogus, Matthew G. Baring, Chryssa Kouveliotou, Tolga Guver, Lin Lin, Oliver J. Roberts, George Younes, Yuki Kaneko, Alexander J. van der Horst

Our investigations of the XMM-Newton and Chandra spectra with a variety of phenomenological and physically-motivated models, concluded that the magnetic field topology of SGR J1935+2154 is most likely highly non-dipolar.

High Energy Astrophysical Phenomena

Efficient Long-Range Convolutions for Point Clouds

1 code implementation11 Oct 2020 Yifan Peng, Lin Lin, Lexing Ying, Leonardo Zepeda-Núñez

We showcase this framework by introducing a neural network architecture that combines LRC-layers with short-range convolutional layers to accurately learn the energy and force associated with a $N$-body potential.

Reinforcement Learning for Many-Body Ground-State Preparation Inspired by Counterdiabatic Driving

no code implementations7 Oct 2020 Jiahao Yao, Lin Lin, Marin Bukov

We propose a generalized QAOA called CD-QAOA, which is inspired by the counterdiabatic driving procedure, designed for quantum many-body systems and optimized using a reinforcement learning (RL) approach.

Continuous Control reinforcement-learning +1

Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark

1 code implementation7 Jun 2020 Yulong Dong, Lin Lin

The success of the quantum LINPACK benchmark should be viewed as the minimal requirement for a quantum computer to perform a useful task of solving linear algebra problems, such as linear systems of equations.

Quantum Physics Numerical Analysis Numerical Analysis

Interpretable Deep Representation Learning from Temporal Multi-view Data

no code implementations11 May 2020 Lin Qiu, Vernon M. Chinchilli, Lin Lin

In many scientific problems such as video surveillance, modern genomics, and finance, data are often collected from diverse measurements across time that exhibit time-dependent heterogeneous properties.

Representation Learning Time Series Analysis

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning

1 code implementation1 May 2020 Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang

For 35 years, {\it ab initio} molecular dynamics (AIMD) has been the method of choice for modeling complex atomistic phenomena from first principles.

Computational Physics

Efficient phase-factor evaluation in quantum signal processing

2 code implementations26 Feb 2020 Yulong Dong, Xiang Meng, K. Birgitta Whaley, Lin Lin

Quantum signal processing (QSP) is a powerful quantum algorithm to exactly implement matrix polynomials on quantum computers.

Quantum Physics Optimization and Control Computational Physics

Learning the mapping $\mathbf{x}\mapsto \sum_{i=1}^d x_i^2$: the cost of finding the needle in a haystack

no code implementations24 Feb 2020 Jiefu Zhang, Leonardo Zepeda-Núñez, Yuan YAO, Lin Lin

When such structural information is not available, and we may only use a dense neural network, the optimization procedure to find the sparse network embedded in the dense network is similar to finding the needle in a haystack, using a given number of samples of the function.

Policy Gradient based Quantum Approximate Optimization Algorithm

no code implementations4 Feb 2020 Jiahao Yao, Marin Bukov, Lin Lin

Taking such constraints into account, we show that policy-gradient-based reinforcement learning (RL) algorithms are well suited for optimizing the variational parameters of QAOA in a noise-robust fashion, opening up the way for developing RL techniques for continuous quantum control.

Reinforcement Learning (RL)

Distributed Pinning Control Design for Probabilistic Boolean Networks

no code implementations7 Dec 2019 Lin Lin, Jinde Cao, Jianquan Lu, Jie Zhong

Owing to the stochasticity, the uniform state feedback controllers, which is independent of switching signal, might be out of work.

Deep Variable-Block Chain with Adaptive Variable Selection

no code implementations7 Dec 2019 Lixiang Zhang, Lin Lin, Jia Li

In this paper, we propose a framework that imposes on blocks of variables a chain structure obtained by step-wise greedy search so that the DNN architecture can leverage the constructed grid.

Variable Selection

Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks

no code implementations27 Nov 2019 Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin

By directly targeting at the self-consistent electron density, we demonstrate that the adapted network architecture, called the Deep Density, can effectively represent the electron density as the linear combination of contributions from many local clusters.

Translation

Explaining Deep Learning Models -- A Bayesian Non-parametric Approach

no code implementations NeurIPS 2018 Wenbo Guo, Sui Huang, Yunzhe Tao, Xinyu Xing, Lin Lin

The empirical results indicate that our proposed approach not only outperforms the state-of-the-art techniques in explaining individual decisions but also provides users with an ability to discover the vulnerabilities of the target ML models.

Explaining Deep Learning Models - A Bayesian Non-parametric Approach

no code implementations7 Nov 2018 Wenbo Guo, Sui Huang, Yunzhe Tao, Xinyu Xing, Lin Lin

The empirical results indicate that our proposed approach not only outperforms the state-of-the-art techniques in explaining individual decisions but also provides users with an ability to discover the vulnerabilities of the target ML models.

Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints

1 code implementation3 Sep 2018 Jiang Hu, Bo Jiang, Lin Lin, Zaiwen Wen, Yaxiang Yuan

In particular, we are interested in applications that the Euclidean Hessian itself consists of a computational cheap part and a significantly expensive part.

Optimization and Control

A multiscale neural network based on hierarchical nested bases

1 code implementation4 Aug 2018 Yuwei Fan, Jordi Feliu-Faba, Lin Lin, Lexing Ying, Leonardo Zepeda-Nunez

In recent years, deep learning has led to impressive results in many fields.

Numerical Analysis

A multiscale neural network based on hierarchical matrices

1 code implementation5 Jul 2018 Yuwei Fan, Lin Lin, Lexing Ying, Leonardo Zepeda-Nunez

This network generalizes the latter to the nonlinear case by introducing a local deep neural network at each spatial scale.

Numerical Analysis

Variational formulation for Wannier functions with entangled band structure

1 code implementation25 Jan 2018 Anil Damle, Antoine Levitt, Lin Lin

When paired with an initial guess based on the selected columns of the density matrix (SCDM) method, our method can robustly find Wannier functions for systems with entangled band structure.

Computational Physics Numerical Analysis Chemical Physics 65Z05, 82D25, 65F30, 65K10

Towards Interrogating Discriminative Machine Learning Models

no code implementations23 May 2017 Wenbo Guo, Kaixuan Zhang, Lin Lin, Sui Huang, Xinyu Xing

Our results indicate that the proposed approach not only outperforms the state-of-the-art technique in explaining individual decisions but also provides users with an ability to discover the vulnerabilities of a learning model.

BIG-bench Machine Learning

A General Model for Robust Tensor Factorization with Unknown Noise

no code implementations18 May 2017 Xi'ai Chen, Zhi Han, Yao Wang, Qian Zhao, Deyu Meng, Lin Lin, Yandong Tang

We provide two versions of the algorithm with different tensor factorization operations, i. e., CP factorization and Tucker factorization.

Disentanglement via entanglement: A unified method for Wannier localization

1 code implementation20 Mar 2017 Anil Damle, Lin Lin

Currently, the most widely used method for treating systems with entangled eigenvalues is to first obtain a reduced subspace (often referred to as disentanglement) and then to solve the Wannier localization problem by treating the reduced subspace as an isolated system.

Computational Physics Chemical Physics 65Z05

Using Non-invertible Data Transformations to Build Adversarial-Robust Neural Networks

no code implementations6 Oct 2016 Qinglong Wang, Wenbo Guo, Alexander G. Ororbia II, Xinyu Xing, Lin Lin, C. Lee Giles, Xue Liu, Peng Liu, Gang Xiong

Deep neural networks have proven to be quite effective in a wide variety of machine learning tasks, ranging from improved speech recognition systems to advancing the development of autonomous vehicles.

Autonomous Vehicles Dimensionality Reduction +2

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