Tie‐Yan Liu

LG
h-index41
69papers
19,487citations
Novelty58%
AI Score50

69 Papers

28.2LGMar 9, 2022Code
Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets

Yu Shi, Shuxin Zheng, Guolin Ke et al. · microsoft-research, tsinghua

This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. With these simple modifications, Graphormer could attain better results on large-scale molecular modeling datasets than the vanilla one, and the performance gain could be consistently obtained on 2D and 3D molecular graph modeling tasks. In addition, we show that with a global receptive field and an adaptive aggregation strategy, Graphormer is more powerful than classic message-passing-based GNNs. Empirically, Graphormer could achieve much less MAE than the originally reported results on the PCQM4M quantum chemistry dataset used in KDD Cup 2021. In the meanwhile, it greatly outperforms the competitors in the recent Open Catalyst Challenge, which is a competition track on NeurIPS 2021 workshop, and aims to model the catalyst-adsorbate reaction system with advanced AI models. All codes could be found at https://github.com/Microsoft/Graphormer.

26.0SDOct 19, 2022Code
Museformer: Transformer with Fine- and Coarse-Grained Attention for Music Generation

Botao Yu, Peiling Lu, Rui Wang et al. · microsoft-research

Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, because the full attention cannot efficiently model the typically long music sequences (e.g., over 10,000 tokens), and the existing models have shortcomings in generating musical repetition structures. In this paper, we propose Museformer, a Transformer with a novel fine- and coarse-grained attention for music generation. Specifically, with the fine-grained attention, a token of a specific bar directly attends to all the tokens of the bars that are most relevant to music structures (e.g., the previous 1st, 2nd, 4th and 8th bars, selected via similarity statistics); with the coarse-grained attention, a token only attends to the summarization of the other bars rather than each token of them so as to reduce the computational cost. The advantages are two-fold. First, it can capture both music structure-related correlations via the fine-grained attention, and other contextual information via the coarse-grained attention. Second, it is efficient and can model over 3X longer music sequences compared to its full-attention counterpart. Both objective and subjective experimental results demonstrate its ability to generate long music sequences with high quality and better structures.

25.3LGMay 26, 2022Code
Your Transformer May Not be as Powerful as You Expect

Shengjie Luo, Shanda Li, Shuxin Zheng et al.

Relative Positional Encoding (RPE), which encodes the relative distance between any pair of tokens, is one of the most successful modifications to the original Transformer. As far as we know, theoretical understanding of the RPE-based Transformers is largely unexplored. In this work, we mathematically analyze the power of RPE-based Transformers regarding whether the model is capable of approximating any continuous sequence-to-sequence functions. One may naturally assume the answer is in the affirmative -- RPE-based Transformers are universal function approximators. However, we present a negative result by showing there exist continuous sequence-to-sequence functions that RPE-based Transformers cannot approximate no matter how deep and wide the neural network is. One key reason lies in that most RPEs are placed in the softmax attention that always generates a right stochastic matrix. This restricts the network from capturing positional information in the RPEs and limits its capacity. To overcome the problem and make the model more powerful, we first present sufficient conditions for RPE-based Transformers to achieve universal function approximation. With the theoretical guidance, we develop a novel attention module, called Universal RPE-based (URPE) Attention, which satisfies the conditions. Therefore, the corresponding URPE-based Transformers become universal function approximators. Extensive experiments covering typical architectures and tasks demonstrate that our model is parameter-efficient and can achieve superior performance to strong baselines in a wide range of applications. The code will be made publicly available at https://github.com/lsj2408/URPE.

4.6LGJul 20, 2022Code
Quantized Training of Gradient Boosting Decision Trees

Yu Shi, Guolin Ke, Zhuoming Chen et al. · microsoft-research

Recent years have witnessed significant success in Gradient Boosting Decision Trees (GBDT) for a wide range of machine learning applications. Generally, a consensus about GBDT's training algorithms is gradients and statistics are computed based on high-precision floating points. In this paper, we investigate an essentially important question which has been largely ignored by the previous literature: how many bits are needed for representing gradients in training GBDT? To solve this mystery, we propose to quantize all the high-precision gradients in a very simple yet effective way in the GBDT's training algorithm. Surprisingly, both our theoretical analysis and empirical studies show that the necessary precisions of gradients without hurting any performance can be quite low, e.g., 2 or 3 bits. With low-precision gradients, most arithmetic operations in GBDT training can be replaced by integer operations of 8, 16, or 32 bits. Promisingly, these findings may pave the way for much more efficient training of GBDT from several aspects: (1) speeding up the computation of gradient statistics in histograms; (2) compressing the communication cost of high-precision statistical information during distributed training; (3) the inspiration of utilization and development of hardware architectures which well support low-precision computation for GBDT training. Benchmarked on CPUs, GPUs, and distributed clusters, we observe up to 2$\times$ speedup of our simple quantization strategy compared with SOTA GBDT systems on extensive datasets, demonstrating the effectiveness and potential of the low-precision training of GBDT. The code will be released to the official repository of LightGBM.

17.4IVOct 9, 2022Code
Invertible Rescaling Network and Its Extensions

Mingqing Xiao, Shuxin Zheng, Chang Liu et al. · microsoft-research, tsinghua

Image rescaling is a commonly used bidirectional operation, which first downscales high-resolution images to fit various display screens or to be storage- and bandwidth-friendly, and afterward upscales the corresponding low-resolution images to recover the original resolution or the details in the zoom-in images. However, the non-injective downscaling mapping discards high-frequency contents, leading to the ill-posed problem for the inverse restoration task. This can be abstracted as a general image degradation-restoration problem with information loss. In this work, we propose a novel invertible framework to handle this general problem, which models the bidirectional degradation and restoration from a new perspective, i.e. invertible bijective transformation. The invertibility enables the framework to model the information loss of pre-degradation in the form of distribution, which could mitigate the ill-posed problem during post-restoration. To be specific, we develop invertible models to generate valid degraded images and meanwhile transform the distribution of lost contents to the fixed distribution of a latent variable during the forward degradation. Then restoration is made tractable by applying the inverse transformation on the generated degraded image together with a randomly-drawn latent variable. We start from image rescaling and instantiate the model as Invertible Rescaling Network (IRN), which can be easily extended to the similar decolorization-colorization task. We further propose to combine the invertible framework with existing degradation methods such as image compression for wider applications. Experimental results demonstrate the significant improvement of our model over existing methods in terms of both quantitative and qualitative evaluations of upscaling and colorizing reconstruction from downscaled and decolorized images, and rate-distortion of image compression.

30.1LGOct 4, 2022Code
One Transformer Can Understand Both 2D & 3D Molecular Data

Shengjie Luo, Tianlang Chen, Yixian Xu et al.

Unlike vision and language data which usually has a unique format, molecules can naturally be characterized using different chemical formulations. One can view a molecule as a 2D graph or define it as a collection of atoms located in a 3D space. For molecular representation learning, most previous works designed neural networks only for a particular data format, making the learned models likely to fail for other data formats. We believe a general-purpose neural network model for chemistry should be able to handle molecular tasks across data modalities. To achieve this goal, in this work, we develop a novel Transformer-based Molecular model called Transformer-M, which can take molecular data of 2D or 3D formats as input and generate meaningful semantic representations. Using the standard Transformer as the backbone architecture, Transformer-M develops two separated channels to encode 2D and 3D structural information and incorporate them with the atom features in the network modules. When the input data is in a particular format, the corresponding channel will be activated, and the other will be disabled. By training on 2D and 3D molecular data with properly designed supervised signals, Transformer-M automatically learns to leverage knowledge from different data modalities and correctly capture the representations. We conducted extensive experiments for Transformer-M. All empirical results show that Transformer-M can simultaneously achieve strong performance on 2D and 3D tasks, suggesting its broad applicability. The code and models will be made publicly available at https://github.com/lsj2408/Transformer-M.

16.1CHEM-PHJun 8, 2023
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

Shuxin Zheng, Jiyan He, Chang Liu et al. · microsoft-research

Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not functions of a single molecular structure, but rather determined from the equilibrium distribution of structures. Traditional methods for obtaining these distributions, such as molecular dynamics simulation, are computationally expensive and often intractable. In this paper, we introduce a novel deep learning framework, called Distributional Graphormer (DiG), in an attempt to predict the equilibrium distribution of molecular systems. Inspired by the annealing process in thermodynamics, DiG employs deep neural networks to transform a simple distribution towards the equilibrium distribution, conditioned on a descriptor of a molecular system, such as a chemical graph or a protein sequence. This framework enables efficient generation of diverse conformations and provides estimations of state densities. We demonstrate the performance of DiG on several molecular tasks, including protein conformation sampling, ligand structure sampling, catalyst-adsorbate sampling, and property-guided structure generation. DiG presents a significant advancement in methodology for statistically understanding molecular systems, opening up new research opportunities in molecular science.

20.5LGMar 15, 2022Code
DEPTS: Deep Expansion Learning for Periodic Time Series Forecasting

Wei Fan, Shun Zheng, Xiaohan Yi et al.

Periodic time series (PTS) forecasting plays a crucial role in a variety of industries to foster critical tasks, such as early warning, pre-planning, resource scheduling, etc. However, the complicated dependencies of the PTS signal on its inherent periodicity as well as the sophisticated composition of various periods hinder the performance of PTS forecasting. In this paper, we introduce a deep expansion learning framework, DEPTS, for PTS forecasting. DEPTS starts with a decoupled formulation by introducing the periodic state as a hidden variable, which stimulates us to make two dedicated modules to tackle the aforementioned two challenges. First, we develop an expansion module on top of residual learning to perform a layer-by-layer expansion of those complicated dependencies. Second, we introduce a periodicity module with a parameterized periodic function that holds sufficient capacity to capture diversified periods. Moreover, our two customized modules also have certain interpretable capabilities, such as attributing the forecasts to either local momenta or global periodicity and characterizing certain core periodic properties, e.g., amplitudes and frequencies. Extensive experiments on both synthetic data and real-world data demonstrate the effectiveness of DEPTS on handling PTS. In most cases, DEPTS achieves significant improvements over the best baseline. Specifically, the error reduction can even reach up to 20% for a few cases. Finally, all codes are publicly available.

14.2LGJun 24, 2024Code
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning

Tianlang Chen, Shengjie Luo, Di He et al.

Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such as invariance and equivariance to coordinate rotation and translation. While numerous deep learning approaches have been developed to learn molecular representations under these constraints, most of them are built upon heuristic and costly modules. We argue that there is a strong need for a general and flexible framework for learning both invariant and equivariant features. In this work, we introduce a novel Transformer-based molecular model called GeoMFormer to achieve this goal. Using the standard Transformer modules, two separate streams are developed to maintain and learn invariant and equivariant representations. Carefully designed cross-attention modules bridge the two streams, allowing information fusion and enhancing geometric modeling in each stream. As a general and flexible architecture, we show that many previous architectures can be viewed as special instantiations of GeoMFormer. Extensive experiments are conducted to demonstrate the power of GeoMFormer. All empirical results show that GeoMFormer achieves strong performance on both invariant and equivariant tasks of different types and scales. Code and models will be made publicly available at https://github.com/c-tl/GeoMFormer.

1.2CHEM-PHFeb 28, 2022Code
An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets

Yu Shi, Shuxin Zheng, Guolin Ke et al.

This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. The "Graphormer-V2" could attain better results on large-scale molecular modeling datasets than the vanilla one, and the performance gain could be consistently obtained on downstream tasks. In addition, we show that with a global receptive field and an adaptive aggregation strategy, Graphormer is more powerful than classic message-passing-based GNNs. Graphormer-V2 achieves much less MAE than the vanilla Graphormer on the PCQM4M quantum chemistry dataset used in KDD Cup 2021, where the latter one won the first place in this competition. In the meanwhile, Graphormer-V2 greatly outperforms the competitors in the recent Open Catalyst Challenge, which is a competition track on NeurIPS 2021 workshop, and aims to model the catalyst-adsorbate reaction system with advanced AI models. All models could be found at \url{https://github.com/Microsoft/Graphormer}.

12.5LGFeb 18, 2021Code
Less is More: Pre-train a Strong Text Encoder for Dense Retrieval Using a Weak Decoder

Shuqi Lu, Di He, Chenyan Xiong et al.

Dense retrieval requires high-quality text sequence embeddings to support effective search in the representation space. Autoencoder-based language models are appealing in dense retrieval as they train the encoder to output high-quality embedding that can reconstruct the input texts. However, in this paper, we provide theoretical analyses and show empirically that an autoencoder language model with a low reconstruction loss may not provide good sequence representations because the decoder may take shortcuts by exploiting language patterns. To address this, we propose a new self-learning method that pre-trains the autoencoder using a \textit{weak} decoder, with restricted capacity and attention flexibility to push the encoder to provide better text representations. Our experiments on web search, news recommendation, and open domain question answering show that our pre-trained model significantly boosts the effectiveness and few-shot ability of dense retrieval models. Our code is available at https://github.com/microsoft/SEED-Encoder/.

14.9CLJun 28, 2020Code
Rethinking Positional Encoding in Language Pre-training

Guolin Ke, Di He, Tie-Yan Liu

In this work, we investigate the positional encoding methods used in language pre-training (e.g., BERT) and identify several problems in the existing formulations. First, we show that in the absolute positional encoding, the addition operation applied on positional embeddings and word embeddings brings mixed correlations between the two heterogeneous information resources. It may bring unnecessary randomness in the attention and further limit the expressiveness of the model. Second, we question whether treating the position of the symbol \texttt{[CLS]} the same as other words is a reasonable design, considering its special role (the representation of the entire sentence) in the downstream tasks. Motivated from above analysis, we propose a new positional encoding method called \textbf{T}ransformer with \textbf{U}ntied \textbf{P}ositional \textbf{E}ncoding (TUPE). In the self-attention module, TUPE computes the word contextual correlation and positional correlation separately with different parameterizations and then adds them together. This design removes the mixed and noisy correlations over heterogeneous embeddings and offers more expressiveness by using different projection matrices. Furthermore, TUPE unties the \texttt{[CLS]} symbol from other positions, making it easier to capture information from all positions. Extensive experiments and ablation studies on GLUE benchmark demonstrate the effectiveness of the proposed method. Codes and models are released at https://github.com/guolinke/TUPE.

60.4AIMay 2, 2020Code
SEEK: Segmented Embedding of Knowledge Graphs

Wentao Xu, Shun Zheng, Liang He et al.

In recent years, knowledge graph embedding becomes a pretty hot research topic of artificial intelligence and plays increasingly vital roles in various downstream applications, such as recommendation and question answering. However, existing methods for knowledge graph embedding can not make a proper trade-off between the model complexity and the model expressiveness, which makes them still far from satisfactory. To mitigate this problem, we propose a lightweight modeling framework that can achieve highly competitive relational expressiveness without increasing the model complexity. Our framework focuses on the design of scoring functions and highlights two critical characteristics: 1) facilitating sufficient feature interactions; 2) preserving both symmetry and antisymmetry properties of relations. It is noteworthy that owing to the general and elegant design of scoring functions, our framework can incorporate many famous existing methods as special cases. Moreover, extensive experiments on public benchmarks demonstrate the efficiency and effectiveness of our framework. Source codes and data can be found at \url{https://github.com/Wentao-Xu/SEEK}.

26.5CLApr 20, 2020Code
MPNet: Masked and Permuted Pre-training for Language Understanding

Kaitao Song, Xu Tan, Tao Qin et al.

BERT adopts masked language modeling (MLM) for pre-training and is one of the most successful pre-training models. Since BERT neglects dependency among predicted tokens, XLNet introduces permuted language modeling (PLM) for pre-training to address this problem. However, XLNet does not leverage the full position information of a sentence and thus suffers from position discrepancy between pre-training and fine-tuning. In this paper, we propose MPNet, a novel pre-training method that inherits the advantages of BERT and XLNet and avoids their limitations. MPNet leverages the dependency among predicted tokens through permuted language modeling (vs. MLM in BERT), and takes auxiliary position information as input to make the model see a full sentence and thus reducing the position discrepancy (vs. PLM in XLNet). We pre-train MPNet on a large-scale dataset (over 160GB text corpora) and fine-tune on a variety of down-streaming tasks (GLUE, SQuAD, etc). Experimental results show that MPNet outperforms MLM and PLM by a large margin, and achieves better results on these tasks compared with previous state-of-the-art pre-trained methods (e.g., BERT, XLNet, RoBERTa) under the same model setting. The code and the pre-trained models are available at: https://github.com/microsoft/MPNet.

31.3CLJul 3, 2019Code
Depth Growing for Neural Machine Translation

Lijun Wu, Yiren Wang, Yingce Xia et al.

While very deep neural networks have shown effectiveness for computer vision and text classification applications, how to increase the network depth of neural machine translation (NMT) models for better translation quality remains a challenging problem. Directly stacking more blocks to the NMT model results in no improvement and even reduces performance. In this work, we propose an effective two-stage approach with three specially designed components to construct deeper NMT models, which result in significant improvements over the strong Transformer baselines on WMT$14$ English$\to$German and English$\to$French translation tasks\footnote{Our code is available at \url{https://github.com/apeterswu/Depth_Growing_NMT}}.

25.9AIFeb 11, 2025
Nature Language Model: Deciphering the Language of Nature for Scientific Discovery

Yingce Xia, Peiran Jin, Shufang Xie et al. · microsoft-research

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, RNA and even cells. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) top performance across different domains, matching or surpassing state-of-the-art specialist models. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

9.2LGOct 14, 2024
Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

Yuxuan Ren, Dihan Zheng, Chang Liu et al. · microsoft-research

In recent years, machine learning has demonstrated impressive capability in handling molecular science tasks. To support various molecular properties at scale, machine learning models are trained in the multi-task learning paradigm. Nevertheless, data of different molecular properties are often not aligned: some quantities, e.g. equilibrium structure, demand more cost to compute than others, e.g. energy, so their data are often generated by cheaper computational methods at the cost of lower accuracy, which cannot be directly overcome through multi-task learning. Moreover, it is not straightforward to leverage abundant data of other tasks to benefit a particular task. To handle such data heterogeneity challenges, we exploit the specialty of molecular tasks that there are physical laws connecting them, and design consistency training approaches that allow different tasks to exchange information directly so as to improve one another. Particularly, we demonstrate that the more accurate energy data can improve the accuracy of structure prediction. We also find that consistency training can directly leverage force and off-equilibrium structure data to improve structure prediction, demonstrating a broad capability for integrating heterogeneous data.

10.8CYNov 21, 2025
OmniScientist: Toward a Co-evolving Ecosystem of Human and AI Scientists

Chenyang Shao, Dehao Huang, Yu Li et al.

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are commonly referred to as "AI Scientists." However, existing AI Scientists predominantly formulate scientific discovery as a standalone search or optimization problem, overlooking the fact that scientific research is inherently a social and collaborative endeavor. Real-world science relies on a complex scientific infrastructure composed of collaborative mechanisms, contribution attribution, peer review, and structured scientific knowledge networks. Due to the lack of modeling for these critical dimensions, current systems struggle to establish a genuine research ecosystem or interact deeply with the human scientific community. To bridge this gap, we introduce OmniScientist, a framework that explicitly encodes the underlying mechanisms of human research into the AI scientific workflow. OmniScientist not only achieves end-to-end automation across data foundation, literature review, research ideation, experiment automation, scientific writing, and peer review, but also provides comprehensive infrastructural support by simulating the human scientific system, comprising: (1) a structured knowledge system built upon citation networks and conceptual correlations; (2) a collaborative research protocol (OSP), which enables seamless multi-agent collaboration and human researcher participation; and (3) an open evaluation platform (ScienceArena) based on blind pairwise user voting and Elo rankings. This infrastructure empowers agents to not only comprehend and leverage human knowledge systems but also to collaborate and co-evolve, fostering a sustainable and scalable innovation ecosystem.

3.0CLOct 29, 2021
Pre-training Co-evolutionary Protein Representation via A Pairwise Masked Language Model

Liang He, Shizhuo Zhang, Lijun Wu et al.

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due to low-cost, high-throughput sequencing methods. In order to extract knowledge from these unlabeled data, representation learning is of significant value for protein-related tasks and has great potential for helping us learn more about protein functions and structures. The key problem in the protein sequence representation learning is to capture the co-evolutionary information reflected by the inter-residue co-variation in the sequences. Instead of leveraging multiple sequence alignment as is usually done, we propose a novel method to capture this information directly by pre-training via a dedicated language model, i.e., Pairwise Masked Language Model (PMLM). In a conventional masked language model, the masked tokens are modeled by conditioning on the unmasked tokens only, but processed independently to each other. However, our proposed PMLM takes the dependency among masked tokens into consideration, i.e., the probability of a token pair is not equal to the product of the probability of the two tokens. By applying this model, the pre-trained encoder is able to generate a better representation for protein sequences. Our result shows that the proposed method can effectively capture the inter-residue correlations and improves the performance of contact prediction by up to 9% compared to the MLM baseline under the same setting. The proposed model also significantly outperforms the MSA baseline by more than 7% on the TAPE contact prediction benchmark when pre-trained on a subset of the sequence database which the MSA is generated from, revealing the potential of the sequence pre-training method to surpass MSA based methods in general.

1.6LGOct 26, 2021
Optimizing Information-theoretical Generalization Bounds via Anisotropic Noise in SGLD

Bohan Wang, Huishuai Zhang, Jieyu Zhang et al.

Recently, the information-theoretical framework has been proven to be able to obtain non-vacuous generalization bounds for large models trained by Stochastic Gradient Langevin Dynamics (SGLD) with isotropic noise. In this paper, we optimize the information-theoretical generalization bound by manipulating the noise structure in SGLD. We prove that with constraint to guarantee low empirical risk, the optimal noise covariance is the square root of the expected gradient covariance if both the prior and the posterior are jointly optimized. This validates that the optimal noise is quite close to the empirical gradient covariance. Technically, we develop a new information-theoretical bound that enables such an optimization analysis. We then apply matrix analysis to derive the form of optimal noise covariance. Presented constraint and results are validated by the empirical observations.

13.6LGOct 26, 2021Code
Distributional Reinforcement Learning for Multi-Dimensional Reward Functions

Pushi Zhang, Xiaoyu Chen, Li Zhao et al.

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

31.1CLSep 29, 2021Code
FastCorrect 2: Fast Error Correction on Multiple Candidates for Automatic Speech Recognition

Yichong Leng, Xu Tan, Rui Wang et al.

Error correction is widely used in automatic speech recognition (ASR) to post-process the generated sentence, and can further reduce the word error rate (WER). Although multiple candidates are generated by an ASR system through beam search, current error correction approaches can only correct one sentence at a time, failing to leverage the voting effect from multiple candidates to better detect and correct error tokens. In this work, we propose FastCorrect 2, an error correction model that takes multiple ASR candidates as input for better correction accuracy. FastCorrect 2 adopts non-autoregressive generation for fast inference, which consists of an encoder that processes multiple source sentences and a decoder that generates the target sentence in parallel from the adjusted source sentence, where the adjustment is based on the predicted duration of each source token. However, there are some issues when handling multiple source sentences. First, it is non-trivial to leverage the voting effect from multiple source sentences since they usually vary in length. Thus, we propose a novel alignment algorithm to maximize the degree of token alignment among multiple sentences in terms of token and pronunciation similarity. Second, the decoder can only take one adjusted source sentence as input, while there are multiple source sentences. Thus, we develop a candidate predictor to detect the most suitable candidate for the decoder. Experiments on our inhouse dataset and AISHELL-1 show that FastCorrect 2 can further reduce the WER over the previous correction model with single candidate by 3.2% and 2.6%, demonstrating the effectiveness of leveraging multiple candidates in ASR error correction. FastCorrect 2 achieves better performance than the cascaded re-scoring and correction pipeline and can serve as a unified post-processing module for ASR.

11.7SDJul 6, 2021
AdaSpeech 3: Adaptive Text to Speech for Spontaneous Style

Yuzi Yan, Xu Tan, Bohan Li et al.

While recent text to speech (TTS) models perform very well in synthesizing reading-style (e.g., audiobook) speech, it is still challenging to synthesize spontaneous-style speech (e.g., podcast or conversation), mainly because of two reasons: 1) the lack of training data for spontaneous speech; 2) the difficulty in modeling the filled pauses (um and uh) and diverse rhythms in spontaneous speech. In this paper, we develop AdaSpeech 3, an adaptive TTS system that fine-tunes a well-trained reading-style TTS model for spontaneous-style speech. Specifically, 1) to insert filled pauses (FP) in the text sequence appropriately, we introduce an FP predictor to the TTS model; 2) to model the varying rhythms, we introduce a duration predictor based on mixture of experts (MoE), which contains three experts responsible for the generation of fast, medium and slow speech respectively, and fine-tune it as well as the pitch predictor for rhythm adaptation; 3) to adapt to other speaker timbre, we fine-tune some parameters in the decoder with few speech data. To address the challenge of lack of training data, we mine a spontaneous speech dataset to support our research this work and facilitate future research on spontaneous TTS. Experiments show that AdaSpeech 3 synthesizes speech with natural FP and rhythms in spontaneous styles, and achieves much better MOS and SMOS scores than previous adaptive TTS systems.

57.2SDJul 5, 2021
DeepRapper: Neural Rap Generation with Rhyme and Rhythm Modeling

Lanqing Xue, Kaitao Song, Duocai Wu et al.

Rap generation, which aims to produce lyrics and corresponding singing beats, needs to model both rhymes and rhythms. Previous works for rap generation focused on rhyming lyrics but ignored rhythmic beats, which are important for rap performance. In this paper, we develop DeepRapper, a Transformer-based rap generation system that can model both rhymes and rhythms. Since there is no available rap dataset with rhythmic beats, we develop a data mining pipeline to collect a large-scale rap dataset, which includes a large number of rap songs with aligned lyrics and rhythmic beats. Second, we design a Transformer-based autoregressive language model which carefully models rhymes and rhythms. Specifically, we generate lyrics in the reverse order with rhyme representation and constraint for rhyme enhancement and insert a beat symbol into lyrics for rhythm/beat modeling. To our knowledge, DeepRapper is the first system to generate rap with both rhymes and rhythms. Both objective and subjective evaluations demonstrate that DeepRapper generates creative and high-quality raps with rhymes and rhythms. Code will be released on GitHub.

22.5LGJun 23, 2021
Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding

Shengjie Luo, Shanda Li, Tianle Cai et al.

The attention module, which is a crucial component in Transformer, cannot scale efficiently to long sequences due to its quadratic complexity. Many works focus on approximating the dot-then-exponentiate softmax function in the original attention, leading to sub-quadratic or even linear-complexity Transformer architectures. However, we show that these methods cannot be applied to more powerful attention modules that go beyond the dot-then-exponentiate style, e.g., Transformers with relative positional encoding (RPE). Since in many state-of-the-art models, relative positional encoding is used as default, designing efficient Transformers that can incorporate RPE is appealing. In this paper, we propose a novel way to accelerate attention calculation for Transformers with RPE on top of the kernelized attention. Based upon the observation that relative positional encoding forms a Toeplitz matrix, we mathematically show that kernelized attention with RPE can be calculated efficiently using Fast Fourier Transform (FFT). With FFT, our method achieves $\mathcal{O}(n\log n)$ time complexity. Interestingly, we further demonstrate that properly using relative positional encoding can mitigate the training instability problem of vanilla kernelized attention. On a wide range of tasks, we empirically show that our models can be trained from scratch without any optimization issues. The learned model performs better than many efficient Transformer variants and is faster than standard Transformer in the long-sequence regime.

15.2QMJun 17, 2021Code
Dual-view Molecule Pre-training

Jinhua Zhu, Yingce Xia, Tao Qin et al.

Inspired by its success in natural language processing and computer vision, pre-training has attracted substantial attention in cheminformatics and bioinformatics, especially for molecule based tasks. A molecule can be represented by either a graph (where atoms are connected by bonds) or a SMILES sequence (where depth-first-search is applied to the molecular graph with specific rules). Existing works on molecule pre-training use either graph representations only or SMILES representations only. In this work, we propose to leverage both the representations and design a new pre-training algorithm, dual-view molecule pre-training (briefly, DMP), that can effectively combine the strengths of both types of molecule representations. The model of DMP consists of two branches: a Transformer branch that takes the SMILES sequence of a molecule as input, and a GNN branch that takes a molecular graph as input. The training of DMP contains three tasks: (1) predicting masked tokens in a SMILES sequence by the Transformer branch, (2) predicting masked atoms in a molecular graph by the GNN branch, and (3) maximizing the consistency between the two high-level representations output by the Transformer and GNN branches separately. After pre-training, we can use either the Transformer branch (this one is recommended according to empirical results), the GNN branch, or both for downstream tasks. DMP is tested on nine molecular property prediction tasks and achieves state-of-the-art performances on seven of them. Furthermore, we test DMP on three retrosynthesis tasks and achieve state-of-the-art results on them.

57.9SDJun 10, 2021
MusicBERT: Symbolic Music Understanding with Large-Scale Pre-Training

Mingliang Zeng, Xu Tan, Rui Wang et al.

Symbolic music understanding, which refers to the understanding of music from the symbolic data (e.g., MIDI format, but not audio), covers many music applications such as genre classification, emotion classification, and music pieces matching. While good music representations are beneficial for these applications, the lack of training data hinders representation learning. Inspired by the success of pre-training models in natural language processing, in this paper, we develop MusicBERT, a large-scale pre-trained model for music understanding. To this end, we construct a large-scale symbolic music corpus that contains more than 1 million music songs. Since symbolic music contains more structural (e.g., bar, position) and diverse information (e.g., tempo, instrument, and pitch), simply adopting the pre-training techniques from NLP to symbolic music only brings marginal gains. Therefore, we design several mechanisms, including OctupleMIDI encoding and bar-level masking strategy, to enhance pre-training with symbolic music data. Experiments demonstrate the advantages of MusicBERT on four music understanding tasks, including melody completion, accompaniment suggestion, genre classification, and style classification. Ablation studies also verify the effectiveness of our designs of OctupleMIDI encoding and bar-level masking strategy in MusicBERT.

41.3LGJun 9, 2021Code
Do Transformers Really Perform Bad for Graph Representation?

Chengxuan Ying, Tianle Cai, Shengjie Luo et al.

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.

15.2PLMay 10, 2021Code
How could Neural Networks understand Programs?

Dinglan Peng, Shuxin Zheng, Yatao Li et al.

Semantic understanding of programs is a fundamental problem for programming language processing (PLP). Recent works that learn representations of code based on pre-training techniques in NLP have pushed the frontiers in this direction. However, the semantics of PL and NL have essential differences. These being ignored, we believe it is difficult to build a model to better understand programs, by either directly applying off-the-shelf NLP pre-training techniques to the source code, or adding features to the model by the heuristic. In fact, the semantics of a program can be rigorously defined by formal semantics in PL theory. For example, the operational semantics, describes the meaning of a valid program as updating the environment (i.e., the memory address-value function) through fundamental operations, such as memory I/O and conditional branching. Inspired by this, we propose a novel program semantics learning paradigm, that the model should learn from information composed of (1) the representations which align well with the fundamental operations in operational semantics, and (2) the information of environment transition, which is indispensable for program understanding. To validate our proposal, we present a hierarchical Transformer-based pre-training model called OSCAR to better facilitate the understanding of programs. OSCAR learns from intermediate representation (IR) and an encoded representation derived from static analysis, which are used for representing the fundamental operations and approximating the environment transitions respectively. OSCAR empirically shows the outstanding capability of program semantics understanding on many practical software engineering tasks.

6.1CLMay 9, 2021Code
FastCorrect: Fast Error Correction with Edit Alignment for Automatic Speech Recognition

Yichong Leng, Xu Tan, Linchen Zhu et al.

Error correction techniques have been used to refine the output sentences from automatic speech recognition (ASR) models and achieve a lower word error rate (WER) than original ASR outputs. Previous works usually use a sequence-to-sequence model to correct an ASR output sentence autoregressively, which causes large latency and cannot be deployed in online ASR services. A straightforward solution to reduce latency, inspired by non-autoregressive (NAR) neural machine translation, is to use an NAR sequence generation model for ASR error correction, which, however, comes at the cost of significantly increased ASR error rate. In this paper, observing distinctive error patterns and correction operations (i.e., insertion, deletion, and substitution) in ASR, we propose FastCorrect, a novel NAR error correction model based on edit alignment. In training, FastCorrect aligns each source token from an ASR output sentence to the target tokens from the corresponding ground-truth sentence based on the edit distance between the source and target sentences, and extracts the number of target tokens corresponding to each source token during edition/correction, which is then used to train a length predictor and to adjust the source tokens to match the length of the target sentence for parallel generation. In inference, the token number predicted by the length predictor is used to adjust the source tokens for target sequence generation. Experiments on the public AISHELL-1 dataset and an internal industrial-scale ASR dataset show the effectiveness of FastCorrect for ASR error correction: 1) it speeds up the inference by 6-9 times and maintains the accuracy (8-14% WER reduction) compared with the autoregressive correction model; and 2) it outperforms the popular NAR models adopted in neural machine translation and text edition by a large margin.

31.8CLApr 11, 2021
UniDrop: A Simple yet Effective Technique to Improve Transformer without Extra Cost

Zhen Wu, Lijun Wu, Qi Meng et al.

Transformer architecture achieves great success in abundant natural language processing tasks. The over-parameterization of the Transformer model has motivated plenty of works to alleviate its overfitting for superior performances. With some explorations, we find simple techniques such as dropout, can greatly boost model performance with a careful design. Therefore, in this paper, we integrate different dropout techniques into the training of Transformer models. Specifically, we propose an approach named UniDrop to unites three different dropout techniques from fine-grain to coarse-grain, i.e., feature dropout, structure dropout, and data dropout. Theoretically, we demonstrate that these three dropouts play different roles from regularization perspectives. Empirically, we conduct experiments on both neural machine translation and text classification benchmark datasets. Extensive results indicate that Transformer with UniDrop can achieve around 1.5 BLEU improvement on IWSLT14 translation tasks, and better accuracy for the classification even using strong pre-trained RoBERTa as backbone.

1.2CLMar 5, 2021Code
IOT: Instance-wise Layer Reordering for Transformer Structures

Jinhua Zhu, Lijun Wu, Yingce Xia et al.

With sequentially stacked self-attention, (optional) encoder-decoder attention, and feed-forward layers, Transformer achieves big success in natural language processing (NLP), and many variants have been proposed. Currently, almost all these models assume that the layer order is fixed and kept the same across data samples. We observe that different data samples actually favor different orders of the layers. Based on this observation, in this work, we break the assumption of the fixed layer order in the Transformer and introduce instance-wise layer reordering into the model structure. Our Instance-wise Ordered Transformer (IOT) can model variant functions by reordered layers, which enables each sample to select the better one to improve the model performance under the constraint of almost the same number of parameters. To achieve this, we introduce a light predictor with negligible parameter and inference cost to decide the most capable and favorable layer order for any input sequence. Experiments on 3 tasks (neural machine translation, abstractive summarization, and code generation) and 9 datasets demonstrate consistent improvements of our method. We further show that our method can also be applied to other architectures beyond Transformer. Our code is released at Github.

26.6ASMar 1, 2021Code
AdaSpeech: Adaptive Text to Speech for Custom Voice

Mingjian Chen, Xu Tan, Bohan Li et al.

Custom voice, a specific text to speech (TTS) service in commercial speech platforms, aims to adapt a source TTS model to synthesize personal voice for a target speaker using few speech data. Custom voice presents two unique challenges for TTS adaptation: 1) to support diverse customers, the adaptation model needs to handle diverse acoustic conditions that could be very different from source speech data, and 2) to support a large number of customers, the adaptation parameters need to be small enough for each target speaker to reduce memory usage while maintaining high voice quality. In this work, we propose AdaSpeech, an adaptive TTS system for high-quality and efficient customization of new voices. We design several techniques in AdaSpeech to address the two challenges in custom voice: 1) To handle different acoustic conditions, we use two acoustic encoders to extract an utterance-level vector and a sequence of phoneme-level vectors from the target speech during training; in inference, we extract the utterance-level vector from a reference speech and use an acoustic predictor to predict the phoneme-level vectors. 2) To better trade off the adaptation parameters and voice quality, we introduce conditional layer normalization in the mel-spectrogram decoder of AdaSpeech, and fine-tune this part in addition to speaker embedding for adaptation. We pre-train the source TTS model on LibriTTS datasets and fine-tune it on VCTK and LJSpeech datasets (with different acoustic conditions from LibriTTS) with few adaptation data, e.g., 20 sentences, about 1 minute speech. Experiment results show that AdaSpeech achieves much better adaptation quality than baseline methods, with only about 5K specific parameters for each speaker, which demonstrates its effectiveness for custom voice. Audio samples are available at https://speechresearch.github.io/adaspeech/.

3.4CLFeb 25, 2021
LazyFormer: Self Attention with Lazy Update

Chengxuan Ying, Guolin Ke, Di He et al.

Improving the efficiency of Transformer-based language pre-training is an important task in NLP, especially for the self-attention module, which is computationally expensive. In this paper, we propose a simple but effective solution, called \emph{LazyFormer}, which computes the self-attention distribution infrequently. LazyFormer composes of multiple lazy blocks, each of which contains multiple Transformer layers. In each lazy block, the self-attention distribution is only computed once in the first layer and then is reused in all upper layers. In this way, the cost of computation could be largely saved. We also provide several training tricks for LazyFormer. Extensive experiments demonstrate the effectiveness of the proposed method.

27.5LGFeb 25, 2021Code
Do Not Let Privacy Overbill Utility: Gradient Embedding Perturbation for Private Learning

Da Yu, Huishuai Zhang, Wei Chen et al.

The privacy leakage of the model about the training data can be bounded in the differential privacy mechanism. However, for meaningful privacy parameters, a differentially private model degrades the utility drastically when the model comprises a large number of trainable parameters. In this paper, we propose an algorithm \emph{Gradient Embedding Perturbation (GEP)} towards training differentially private deep models with decent accuracy. Specifically, in each gradient descent step, GEP first projects individual private gradient into a non-sensitive anchor subspace, producing a low-dimensional gradient embedding and a small-norm residual gradient. Then, GEP perturbs the low-dimensional embedding and the residual gradient separately according to the privacy budget. Such a decomposition permits a small perturbation variance, which greatly helps to break the dimensional barrier of private learning. With GEP, we achieve decent accuracy with reasonable computational cost and modest privacy guarantee for deep models. Especially, with privacy bound $ε=8$, we achieve $74.9\%$ test accuracy on CIFAR10 and $95.1\%$ test accuracy on SVHN, significantly improving over existing results.

12.8LGNov 4, 2020
Latent Causal Invariant Model

Xinwei Sun, Botong Wu, Xiangyu Zheng et al.

Current supervised learning can learn spurious correlation during the data-fitting process, imposing issues regarding interpretability, out-of-distribution (OOD) generalization, and robustness. To avoid spurious correlation, we propose a Latent Causal Invariance Model (LaCIM) which pursues causal prediction. Specifically, we introduce latent variables that are separated into (a) output-causative factors and (b) others that are spuriously correlated to the output via confounders, to model the underlying causal factors. We further assume the generating mechanisms from latent space to observed data to be causally invariant. We give the identifiable claim of such invariance, particularly the disentanglement of output-causative factors from others, as a theoretical guarantee for precise inference and avoiding spurious correlation. We propose a Variational-Bayesian-based method for estimation and to optimize over the latent space for prediction. The utility of our approach is verified by improved interpretability, prediction power on various OOD scenarios (including healthcare) and robustness on security.

7.2CVJun 22, 2020
Modeling Lost Information in Lossy Image Compression

Yaolong Wang, Mingqing Xiao, Chang Liu et al.

Lossy image compression is one of the most commonly used operators for digital images. Most recently proposed deep-learning-based image compression methods leverage the auto-encoder structure, and reach a series of promising results in this field. The images are encoded into low dimensional latent features first, and entropy coded subsequently by exploiting the statistical redundancy. However, the information lost during encoding is unfortunately inevitable, which poses a significant challenge to the decoder to reconstruct the original images. In this work, we propose a novel invertible framework called Invertible Lossy Compression (ILC) to largely mitigate the information loss problem. Specifically, ILC introduces an invertible encoding module to replace the encoder-decoder structure to produce the low dimensional informative latent representation, meanwhile, transform the lost information into an auxiliary latent variable that won't be further coded or stored. The latent representation is quantized and encoded into bit-stream, and the latent variable is forced to follow a specified distribution, i.e. isotropic Gaussian distribution. In this way, recovering the original image is made tractable by easily drawing a surrogate latent variable and applying the inverse pass of the module with the sampled variable and decoded latent features. Experimental results demonstrate that with a new component replacing the auto-encoder in image compression methods, ILC can significantly outperform the baseline method on extensive benchmark datasets by combining with the existing compression algorithms.

3.0CLJun 10, 2020Code
MC-BERT: Efficient Language Pre-Training via a Meta Controller

Zhenhui Xu, Linyuan Gong, Guolin Ke et al.

Pre-trained contextual representations (e.g., BERT) have become the foundation to achieve state-of-the-art results on many NLP tasks. However, large-scale pre-training is computationally expensive. ELECTRA, an early attempt to accelerate pre-training, trains a discriminative model that predicts whether each input token was replaced by a generator. Our studies reveal that ELECTRA's success is mainly due to its reduced complexity of the pre-training task: the binary classification (replaced token detection) is more efficient to learn than the generation task (masked language modeling). However, such a simplified task is less semantically informative. To achieve better efficiency and effectiveness, we propose a novel meta-learning framework, MC-BERT. The pre-training task is a multi-choice cloze test with a reject option, where a meta controller network provides training input and candidates. Results over GLUE natural language understanding benchmark demonstrate that our proposed method is both efficient and effective: it outperforms baselines on GLUE semantic tasks given the same computational budget.

22.1LGFeb 24, 2020Code
Semi-Supervised Neural Architecture Search

Renqian Luo, Xu Tan, Rui Wang et al.

Neural architecture search (NAS) relies on a good controller to generate better architectures or predict the accuracy of given architectures. However, training the controller requires both abundant and high-quality pairs of architectures and their accuracy, while it is costly to evaluate an architecture and obtain its accuracy. In this paper, we propose SemiNAS, a semi-supervised NAS approach that leverages numerous unlabeled architectures (without evaluation and thus nearly no cost). Specifically, SemiNAS 1) trains an initial accuracy predictor with a small set of architecture-accuracy data pairs; 2) uses the trained accuracy predictor to predict the accuracy of large amount of architectures (without evaluation); and 3) adds the generated data pairs to the original data to further improve the predictor. The trained accuracy predictor can be applied to various NAS algorithms by predicting the accuracy of candidate architectures for them. SemiNAS has two advantages: 1) It reduces the computational cost under the same accuracy guarantee. On NASBench-101 benchmark dataset, it achieves comparable accuracy with gradient-based method while using only 1/7 architecture-accuracy pairs. 2) It achieves higher accuracy under the same computational cost. It achieves 94.02% test accuracy on NASBench-101, outperforming all the baselines when using the same number of architectures. On ImageNet, it achieves 23.5% top-1 error rate (under 600M FLOPS constraint) using 4 GPU-days for search. We further apply it to LJSpeech text to speech task and it achieves 97% intelligibility rate in the low-resource setting and 15% test error rate in the robustness setting, with 9%, 7% improvements over the baseline respectively.

5.4LGNov 26, 2019
Gradient Perturbation is Underrated for Differentially Private Convex Optimization

Da Yu, Huishuai Zhang, Wei Chen et al.

Gradient perturbation, widely used for differentially private optimization, injects noise at every iterative update to guarantee differential privacy. Previous work first determines the noise level that can satisfy the privacy requirement and then analyzes the utility of noisy gradient updates as in the non-private case. In contrast, we explore how privacy noise affects optimization property. We show that for differentially private convex optimization, the utility guarantee of differentially private (stochastic) gradient descent is determined by an \emph{expected curvature} rather than the minimum curvature. The \emph{expected curvature}, which represents the average curvature over the optimization path, is usually much larger than the minimum curvature. By using the \emph{expected curvature}, we show that gradient perturbation can achieve a significantly improved utility guarantee that can theoretically justify the advantage of gradient perturbation over other perturbation methods. Finally, our extensive experiments suggest that gradient perturbation with the advanced composition method indeed outperforms other perturbation approaches by a large margin, matching our theoretical findings.

8.1LGNov 6, 2019
Distributional Reward Decomposition for Reinforcement Learning

Zichuan Lin, Li Zhao, Derek Yang et al.

Many reinforcement learning (RL) tasks have specific properties that can be leveraged to modify existing RL algorithms to adapt to those tasks and further improve performance, and a general class of such properties is the multiple reward channel. In those environments the full reward can be decomposed into sub-rewards obtained from different channels. Existing work on reward decomposition either requires prior knowledge of the environment to decompose the full reward, or decomposes reward without prior knowledge but with degraded performance. In this paper, we propose Distributional Reward Decomposition for Reinforcement Learning (DRDRL), a novel reward decomposition algorithm which captures the multiple reward channel structure under distributional setting. Empirically, our method captures the multi-channel structure and discovers meaningful reward decomposition, without any requirements on prior knowledge. Consequently, our agent achieves better performance than existing methods on environments with multiple reward channels.

24.1LGNov 5, 2019
Fully Parameterized Quantile Function for Distributional Reinforcement Learning

Derek Yang, Li Zhao, Zichuan Lin et al.

Distributional Reinforcement Learning (RL) differs from traditional RL in that, rather than the expectation of total returns, it estimates distributions and has achieved state-of-the-art performance on Atari Games. The key challenge in practical distributional RL algorithms lies in how to parameterize estimated distributions so as to better approximate the true continuous distribution. Existing distributional RL algorithms parameterize either the probability side or the return value side of the distribution function, leaving the other side uniformly fixed as in C51, QR-DQN or randomly sampled as in IQN. In this paper, we propose fully parameterized quantile function that parameterizes both the quantile fraction axis (i.e., the x-axis) and the value axis (i.e., y-axis) for distributional RL. Our algorithm contains a fraction proposal network that generates a discrete set of quantile fractions and a quantile value network that gives corresponding quantile values. The two networks are jointly trained to find the best approximation of the true distribution. Experiments on 55 Atari Games show that our algorithm significantly outperforms existing distributional RL algorithms and creates a new record for the Atari Learning Environment for non-distributed agents.

30.6CLSep 15, 2019Code
Hint-Based Training for Non-Autoregressive Machine Translation

Zhuohan Li, Zi Lin, Di He et al.

Due to the unparallelizable nature of the autoregressive factorization, AutoRegressive Translation (ART) models have to generate tokens sequentially during decoding and thus suffer from high inference latency. Non-AutoRegressive Translation (NART) models were proposed to reduce the inference time, but could only achieve inferior translation accuracy. In this paper, we proposed a novel approach to leveraging the hints from hidden states and word alignments to help the training of NART models. The results achieve significant improvement over previous NART models for the WMT14 En-De and De-En datasets and are even comparable to a strong LSTM-based ART baseline but one order of magnitude faster in inference.

1.0LGAug 25, 2019
LightMC: A Dynamic and Efficient Multiclass Decomposition Algorithm

Ziyu Liu, Guolin Ke, Jiang Bian et al.

Multiclass decomposition splits a multiclass classification problem into a series of independent binary learners and recomposes them by combining their outputs to reconstruct the multiclass classification results. Three widely-used realizations of such decomposition methods are One-Versus-All (OVA), One-Versus-One (OVO), and Error-Correcting-Output-Code (ECOC). While OVA and OVO are quite simple, both of them assume all classes are orthogonal which neglect the latent correlation between classes in real-world. Error-Correcting-Output-Code (ECOC) based decomposition methods, on the other hand, are more preferable due to its integration of the correlation among classes. However, the performance of existing ECOC-based methods highly depends on the design of coding matrix and decoding strategy. Unfortunately, it is quite uncertain and time-consuming to discover an effective coding matrix with appropriate decoding strategy. To address this problem, we propose LightMC, an efficient dynamic multiclass decomposition algorithm. Instead of using fixed coding matrix and decoding strategy, LightMC uses a differentiable decoding strategy, which enables it to dynamically optimize the coding matrix and decoding strategy, toward increasing the overall accuracy of multiclass classification, via back propagation jointly with the training of base learners in an iterative way. Empirical experimental results on several public large-scale multiclass classification datasets have demonstrated the effectiveness of LightMC in terms of both good accuracy and high efficiency.

30.6CLAug 25, 2019
Multilingual Neural Machine Translation with Language Clustering

Xu Tan, Jiale Chen, Di He et al.

Multilingual neural machine translation (NMT), which translates multiple languages using a single model, is of great practical importance due to its advantages in simplifying the training process, reducing online maintenance costs, and enhancing low-resource and zero-shot translation. Given there are thousands of languages in the world and some of them are very different, it is extremely burdensome to handle them all in a single model or use a separate model for each language pair. Therefore, given a fixed resource budget, e.g., the number of models, how to determine which languages should be supported by one model is critical to multilingual NMT, which, unfortunately, has been ignored by previous work. In this work, we develop a framework that clusters languages into different groups and trains one multilingual model for each cluster. We study two methods for language clustering: (1) using prior knowledge, where we cluster languages according to language family, and (2) using language embedding, in which we represent each language by an embedding vector and cluster them in the embedding space. In particular, we obtain the embedding vectors of all the languages by training a universal neural machine translation model. Our experiments on 23 languages show that the first clustering method is simple and easy to understand but leading to suboptimal translation accuracy, while the second method sufficiently captures the relationship among languages well and improves the translation accuracy for almost all the languages over baseline methods

14.3CLJul 28, 2019
Representation Degeneration Problem in Training Natural Language Generation Models

Jun Gao, Di He, Xu Tan et al.

We study an interesting problem in training neural network-based models for natural language generation tasks, which we call the \emph{representation degeneration problem}. We observe that when training a model for natural language generation tasks through likelihood maximization with the weight tying trick, especially with big training datasets, most of the learnt word embeddings tend to degenerate and be distributed into a narrow cone, which largely limits the representation power of word embeddings. We analyze the conditions and causes of this problem and propose a novel regularization method to address it. Experiments on language modeling and machine translation show that our method can largely mitigate the representation degeneration problem and achieve better performance than baseline algorithms.

7.7LGMay 28, 2019
Beyond Exponentially Discounted Sum: Automatic Learning of Return Function

Yufei Wang, Qiwei Ye, Tie-Yan Liu

In reinforcement learning, Return, which is the weighted accumulated future rewards, and Value, which is the expected return, serve as the objective that guides the learning of the policy. In classic RL, return is defined as the exponentially discounted sum of future rewards. One key insight is that there could be many feasible ways to define the form of the return function (and thus the value), from which the same optimal policy can be derived, yet these different forms might render dramatically different speeds of learning this policy. In this paper, we research how to modify the form of the return function to enhance the learning towards the optimal policy. We propose to use a general mathematical form for return function, and employ meta-learning to learn the optimal return function in an end-to-end manner. We test our methods on a specially designed maze environment and several Atari games, and our experimental results clearly indicate the advantages of automatically learning optimal return functions in reinforcement learning.

31.6CLMay 25, 2019Code
Soft Contextual Data Augmentation for Neural Machine Translation

Jinhua Zhu, Fei Gao, Lijun Wu et al.

While data augmentation is an important trick to boost the accuracy of deep learning methods in computer vision tasks, its study in natural language tasks is still very limited. In this paper, we present a novel data augmentation method for neural machine translation. Different from previous augmentation methods that randomly drop, swap or replace words with other words in a sentence, we softly augment a randomly chosen word in a sentence by its contextual mixture of multiple related words. More accurately, we replace the one-hot representation of a word by a distribution (provided by a language model) over the vocabulary, i.e., replacing the embedding of this word by a weighted combination of multiple semantically similar words. Since the weights of those words depend on the contextual information of the word to be replaced, the newly generated sentences capture much richer information than previous augmentation methods. Experimental results on both small scale and large scale machine translation datasets demonstrate the superiority of our method over strong baselines.

20.7CLMay 22, 2019
FastSpeech: Fast, Robust and Controllable Text to Speech

Yi Ren, Yangjun Ruan, Xu Tan et al.

Neural network based end-to-end text to speech (TTS) has significantly improved the quality of synthesized speech. Prominent methods (e.g., Tacotron 2) usually first generate mel-spectrogram from text, and then synthesize speech from the mel-spectrogram using vocoder such as WaveNet. Compared with traditional concatenative and statistical parametric approaches, neural network based end-to-end models suffer from slow inference speed, and the synthesized speech is usually not robust (i.e., some words are skipped or repeated) and lack of controllability (voice speed or prosody control). In this work, we propose a novel feed-forward network based on Transformer to generate mel-spectrogram in parallel for TTS. Specifically, we extract attention alignments from an encoder-decoder based teacher model for phoneme duration prediction, which is used by a length regulator to expand the source phoneme sequence to match the length of the target mel-spectrogram sequence for parallel mel-spectrogram generation. Experiments on the LJSpeech dataset show that our parallel model matches autoregressive models in terms of speech quality, nearly eliminates the problem of word skipping and repeating in particularly hard cases, and can adjust voice speed smoothly. Most importantly, compared with autoregressive Transformer TTS, our model speeds up mel-spectrogram generation by 270x and the end-to-end speech synthesis by 38x. Therefore, we call our model FastSpeech.

25.2CLMay 7, 2019Code
MASS: Masked Sequence to Sequence Pre-training for Language Generation

Kaitao Song, Xu Tan, Tao Qin et al.

Pre-training and fine-tuning, e.g., BERT, have achieved great success in language understanding by transferring knowledge from rich-resource pre-training task to the low/zero-resource downstream tasks. Inspired by the success of BERT, we propose MAsked Sequence to Sequence pre-training (MASS) for the encoder-decoder based language generation tasks. MASS adopts the encoder-decoder framework to reconstruct a sentence fragment given the remaining part of the sentence: its encoder takes a sentence with randomly masked fragment (several consecutive tokens) as input, and its decoder tries to predict this masked fragment. In this way, MASS can jointly train the encoder and decoder to develop the capability of representation extraction and language modeling. By further fine-tuning on a variety of zero/low-resource language generation tasks, including neural machine translation, text summarization and conversational response generation (3 tasks and totally 8 datasets), MASS achieves significant improvements over the baselines without pre-training or with other pre-training methods. Specially, we achieve the state-of-the-art accuracy (37.5 in terms of BLEU score) on the unsupervised English-French translation, even beating the early attention-based supervised model.