b'Tie-Yan Liu'

research

∙ 06/08/2023

Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

Advances in deep learning have greatly improved structure prediction of ...

0 Shuxin Zheng, et al. ∙

research

∙ 05/18/2023

MolXPT: Wrapping Molecules with Text for Generative Pre-training

Generative pre-trained Transformer (GPT) has demonstrates its great succ...

0 Zequn Liu, et al. ∙

research

∙ 02/20/2023

NeuralStagger: accelerating physics-constrained neural PDE solver with spatial-temporal decomposition

Neural networks have shown great potential in accelerating the solution ...

0 Xinquan Huang, et al. ∙

research

∙ 01/31/2023

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecu...

0 Guoqing Liu, et al. ∙

research

∙ 12/24/2022

An Adaptive Deep RL Method for Non-Stationary Environments with Piecewise Stable Context

One of the key challenges in deploying RL to real-world applications is ...

0 Xiaoyu Chen, et al. ∙

research

∙ 11/23/2022

An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge @ NeurIPS 2022

In the technical report, we provide our solution for OGB-LSC 2022 Graph ...

0 Yusong Wang, et al. ∙

research

∙ 10/19/2022

BioGPT: Generative Pre-trained Transformer for Biomedical Text Generation and Mining

Pre-trained language models have attracted increasing attention in the b...

0 Renqian Luo, et al. ∙

research

∙ 10/09/2022

Invertible Rescaling Network and Its Extensions

Image rescaling is a commonly used bidirectional operation, which first ...

0 Mingqing Xiao, et al. ∙

research

∙ 10/04/2022

One Transformer Can Understand Both 2D 3D Molecular Data

Unlike vision and language data which usually has a unique format, molec...

0 Shengjie Luo, et al. ∙

research

∙ 08/30/2022

MeloForm: Generating Melody with Musical Form based on Expert Systems and Neural Networks

Human usually composes music by organizing elements according to the mus...

11 Peiling Lu, et al. ∙

research

∙ 07/20/2022

Quantized Training of Gradient Boosting Decision Trees

Recent years have witnessed significant success in Gradient Boosting Dec...

5 Yu Shi, et al. ∙

research

∙ 07/18/2022

Inspector: Pixel-Based Automated Game Testing via Exploration, Detection, and Investigation

Deep reinforcement learning (DRL) has attracted much attention in automa...

0 Guoqing Liu, et al. ∙

research

∙ 07/14/2022

Unified 2D and 3D Pre-Training of Molecular Representations

Molecular representation learning has attracted much attention recently....

0 Jinhua Zhu, et al. ∙

research

∙ 07/12/2022

ReLyMe: Improving Lyric-to-Melody Generation by Incorporating Lyric-Melody Relationships

Lyric-to-melody generation, which generates melody according to given ly...

0 Chen Zhang, et al. ∙

research

∙ 06/27/2022

Normalized/Clipped SGD with Perturbation for Differentially Private Non-Convex Optimization

By ensuring differential privacy in the learning algorithms, one can rig...

0 Xiaodong Yang, et al. ∙

research

∙ 06/20/2022

SMT-DTA: Improving Drug-Target Affinity Prediction with Semi-supervised Multi-task Training

Drug-Target Affinity (DTA) prediction is an essential task for drug disc...

0 Qizhi Pei, et al. ∙

research

∙ 06/06/2022

Per-Instance Privacy Accounting for Differentially Private Stochastic Gradient Descent

Differentially private stochastic gradient descent (DP-SGD) is the workh...

12 Da Yu, et al. ∙

research

∙ 05/30/2022

BinauralGrad: A Two-Stage Conditional Diffusion Probabilistic Model for Binaural Audio Synthesis

Binaural audio plays a significant role in constructing immersive augmen...

1 Yichong Leng, et al. ∙

research

∙ 05/26/2022

Your Transformer May Not be as Powerful as You Expect

Relative Positional Encoding (RPE), which encodes the relative distance ...

0 Shengjie Luo, et al. ∙

research

∙ 05/25/2022

Tiered Reinforcement Learning: Pessimism in the Face of Uncertainty and Constant Regret

We propose a new learning framework that captures the tiered structure o...

0 Jiawei Huang, et al. ∙

research

∙ 05/09/2022

NaturalSpeech: End-to-End Text to Speech Synthesis with Human-Level Quality

Text to speech (TTS) has made rapid progress in both academia and indust...

18 Xu Tan, et al. ∙

research

∙ 04/20/2022

A Survey on Non-Autoregressive Generation for Neural Machine Translation and Beyond

Non-autoregressive (NAR) generation, which is first proposed in neural m...

0 Yisheng Xiao, et al. ∙

research

∙ 04/13/2022

METRO: Efficient Denoising Pretraining of Large Scale Autoencoding Language Models with Model Generated Signals

We present an efficient method of pretraining large-scale autoencoding l...

0 Payal Bajaj, et al. ∙

research

∙ 04/13/2022

Neural Operator with Regularity Structure for Modeling Dynamics Driven by SPDEs

Stochastic partial differential equations (SPDEs) are significant tools ...

0 Peiyan Hu, et al. ∙

research

∙ 04/01/2022

AdaSpeech 4: Adaptive Text to Speech in Zero-Shot Scenarios

Adaptive text to speech (TTS) can synthesize new voices in zero-shot sce...

4 Yihan Wu, et al. ∙

research

∙ 03/28/2022

Multi-View Substructure Learning for Drug-Drug Interaction Prediction

Drug-drug interaction (DDI) prediction provides a drug combination strat...

13 Zimeng Li, et al. ∙

research

∙ 03/09/2022

Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets

This technical note describes the recent updates of Graphormer, includin...

10 Yu Shi, et al. ∙

research

∙ 02/28/2022

An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets

This technical note describes the recent updates of Graphormer, includin...

0 Yu Shi, et al. ∙

research

∙ 02/26/2022

Revisiting Over-Smoothness in Text to Speech

Non-autoregressive text to speech (NAR-TTS) models have attracted much a...

0 Yi Ren, et al. ∙

research

∙ 02/14/2022

Towards Deployment-Efficient Reinforcement Learning: Lower Bound and Optimality

Deployment efficiency is an important criterion for many real-world appl...

0 Jiawei Huang, et al. ∙

research

∙ 02/03/2022

Direct Molecular Conformation Generation

Molecular conformation generation aims to generate three-dimensional coo...

9 Jinhua Zhu, et al. ∙

research

∙ 11/03/2021

Curriculum Offline Imitation Learning

Offline reinforcement learning (RL) tasks require the agent to learn fro...

0 Minghuan Liu, et al. ∙

research

∙ 11/01/2021

Indiscriminate Poisoning Attacks Are Shortcuts

Indiscriminate data poisoning attacks, which add imperceptible perturbat...

0 Da Yu, et al. ∙

research

∙ 10/29/2021

Pre-training Co-evolutionary Protein Representation via A Pairwise Masked Language Model

Understanding protein sequences is vital and urgent for biology, healthc...

0 Liang He, et al. ∙

research

∙ 10/27/2021

Object-Aware Regularization for Addressing Causal Confusion in Imitation Learning

Behavioral cloning has proven to be effective for learning sequential de...

0 Jongjin Park, et al. ∙

research

∙ 10/26/2021

Equivariant vector field network for many-body system modeling

Modeling many-body systems has been a long-standing challenge in science...

0 Weitao Du, et al. ∙

research

∙ 10/26/2021

Distributional Reinforcement Learning for Multi-Dimensional Reward Functions

A growing trend for value-based reinforcement learning (RL) algorithms i...

0 Pushi Zhang, et al. ∙

research

∙ 10/14/2021

Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer

The identification of active binding drugs for target proteins (termed a...

12 Siyuan Liu, et al. ∙

research

∙ 09/27/2021

Discovering Drug-Target Interaction Knowledge from Biomedical Literature

The Interaction between Drugs and Targets (DTI) in human body plays a cr...

0 Yutai Hou, et al. ∙

research

∙ 08/29/2021

Analyzing and Mitigating Interference in Neural Architecture Search

Weight sharing has become the de facto approach to reduce the training c...

0 Jin Xu, et al. ∙

research

∙ 07/06/2021

AdaSpeech 3: Adaptive Text to Speech for Spontaneous Style

While recent text to speech (TTS) models perform very well in synthesizi...

9 Yuzi Yan, et al. ∙

research

∙ 07/05/2021

Causally Invariant Predictor with Shift-Robustness

This paper proposes an invariant causal predictor that is robust to dist...

0 Xiangyu Zheng, et al. ∙

research

∙ 07/05/2021

DeepRapper: Neural Rap Generation with Rhyme and Rhythm Modeling

Rap generation, which aims to produce lyrics and corresponding singing b...

0 Lanqing Xue, et al. ∙

research

∙ 07/03/2021

Supervised Off-Policy Ranking

Off-policy evaluation (OPE) leverages data generated by other policies t...

1 Yue Jin, et al. ∙

research

∙ 06/30/2021

On the Generative Utility of Cyclic Conditionals

We study whether and how can we model a joint distribution p(x,z) using ...

0 Chang Liu, et al. ∙

research

∙ 06/29/2021

A Survey on Neural Speech Synthesis

Text to speech (TTS), or speech synthesis, which aims to synthesize inte...

63 Xu Tan, et al. ∙

research

∙ 06/29/2021

Regularized OFU: an Efficient UCB Estimator forNon-linear Contextual Bandit

Balancing exploration and exploitation (EE) is a fundamental problem in ...

0 Yichi Zhou, et al. ∙

research

∙ 06/28/2021

R-Drop: Regularized Dropout for Neural Networks

Dropout is a powerful and widely used technique to regularize the traini...

0 Xiaobo Liang, et al. ∙

research

∙ 06/23/2021

Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding

The attention module, which is a crucial component in Transformer, canno...

9 Shengjie Luo, et al. ∙

research

∙ 06/17/2021

Large Scale Private Learning via Low-rank Reparametrization

We propose a reparametrization scheme to address the challenges of apply...

0 Da Yu, et al. ∙

Tie-Yan Liu

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