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06/08/2023
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning
Advances in deep learning have greatly improved structure prediction of ...
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05/18/2023
MolXPT: Wrapping Molecules with Text for Generative Pre-training
Generative pre-trained Transformer (GPT) has demonstrates its great succ...
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02/20/2023
NeuralStagger: accelerating physics-constrained neural PDE solver with spatial-temporal decomposition
Neural networks have shown great potential in accelerating the solution ...
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01/31/2023
Retrosynthetic Planning with Dual Value Networks
Retrosynthesis, which aims to find a route to synthesize a target molecu...
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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 ...
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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 ...
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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...
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10/09/2022
Invertible Rescaling Network and Its Extensions
Image rescaling is a commonly used bidirectional operation, which first ...
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10/04/2022
One Transformer Can Understand Both 2D 3D Molecular Data
Unlike vision and language data which usually has a unique format, molec...
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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...
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07/20/2022
Quantized Training of Gradient Boosting Decision Trees
Recent years have witnessed significant success in Gradient Boosting Dec...
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07/18/2022
Inspector: Pixel-Based Automated Game Testing via Exploration, Detection, and Investigation
Deep reinforcement learning (DRL) has attracted much attention in automa...
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07/14/2022
Unified 2D and 3D Pre-Training of Molecular Representations
Molecular representation learning has attracted much attention recently....
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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...
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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...
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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...
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06/06/2022
Per-Instance Privacy Accounting for Differentially Private Stochastic Gradient Descent
Differentially private stochastic gradient descent (DP-SGD) is the workh...
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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...
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05/26/2022
Your Transformer May Not be as Powerful as You Expect
Relative Positional Encoding (RPE), which encodes the relative distance ...
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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...
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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...
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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...
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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...
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04/13/2022
Neural Operator with Regularity Structure for Modeling Dynamics Driven by SPDEs
Stochastic partial differential equations (SPDEs) are significant tools ...
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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...
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03/28/2022
Multi-View Substructure Learning for Drug-Drug Interaction Prediction
Drug-drug interaction (DDI) prediction provides a drug combination strat...
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03/09/2022
Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets
This technical note describes the recent updates of Graphormer, includin...
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02/28/2022
An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets
This technical note describes the recent updates of Graphormer, includin...
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02/26/2022
Revisiting Over-Smoothness in Text to Speech
Non-autoregressive text to speech (NAR-TTS) models have attracted much a...
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02/14/2022
Towards Deployment-Efficient Reinforcement Learning: Lower Bound and Optimality
Deployment efficiency is an important criterion for many real-world appl...
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02/03/2022
Direct Molecular Conformation Generation
Molecular conformation generation aims to generate three-dimensional coo...
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11/03/2021
Curriculum Offline Imitation Learning
Offline reinforcement learning (RL) tasks require the agent to learn fro...
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11/01/2021
Indiscriminate Poisoning Attacks Are Shortcuts
Indiscriminate data poisoning attacks, which add imperceptible perturbat...
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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...
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10/27/2021
Object-Aware Regularization for Addressing Causal Confusion in Imitation Learning
Behavioral cloning has proven to be effective for learning sequential de...
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10/26/2021
Equivariant vector field network for many-body system modeling
Modeling many-body systems has been a long-standing challenge in science...
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10/26/2021
Distributional Reinforcement Learning for Multi-Dimensional Reward Functions
A growing trend for value-based reinforcement learning (RL) algorithms i...
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10/14/2021
Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer
The identification of active binding drugs for target proteins (termed a...
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09/27/2021
Discovering Drug-Target Interaction Knowledge from Biomedical Literature
The Interaction between Drugs and Targets (DTI) in human body plays a cr...
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08/29/2021
Analyzing and Mitigating Interference in Neural Architecture Search
Weight sharing has become the de facto approach to reduce the training c...
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07/06/2021
AdaSpeech 3: Adaptive Text to Speech for Spontaneous Style
While recent text to speech (TTS) models perform very well in synthesizi...
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07/05/2021
Causally Invariant Predictor with Shift-Robustness
This paper proposes an invariant causal predictor that is robust to dist...
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07/05/2021
DeepRapper: Neural Rap Generation with Rhyme and Rhythm Modeling
Rap generation, which aims to produce lyrics and corresponding singing b...
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07/03/2021
Supervised Off-Policy Ranking
Off-policy evaluation (OPE) leverages data generated by other policies t...
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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 ...
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06/29/2021
A Survey on Neural Speech Synthesis
Text to speech (TTS), or speech synthesis, which aims to synthesize inte...
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06/29/2021
Regularized OFU: an Efficient UCB Estimator forNon-linear Contextual Bandit
Balancing exploration and exploitation (EE) is a fundamental problem in ...
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06/28/2021
R-Drop: Regularized Dropout for Neural Networks
Dropout is a powerful and widely used technique to regularize the traini...
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06/23/2021
Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding
The attention module, which is a crucial component in Transformer, canno...
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06/17/2021
