arXiv subjects

Tie-Yan Liu

Publications and source records attributed to Tie-Yan Liu.

At least 91 records · Page 5Linked to original sources

arXiv2022

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

Adaptive text to speech (TTS) can synthesize new voices in zero-shot scenarios efficiently, by using a well-trained source TTS model without adapting it on the speech data of new speakers. Considering seen and unseen speakers have diverse characteristics, zero-shot adaptive TTS requires strong generalization ability on speaker characteristics, which brings modeling challenges. In this paper, we develop AdaSpeech 4, a zero-shot adaptive TTS system for high-quality speech synthesis. We model the speaker characteristics systematically to improve the generalization on new speakers. Generally, the modeling of speaker characteristics can be categorized into three steps: extracting speaker representation, taking this speaker representation as condition, and synthesizing speech/mel-spectrogram given this speaker representation. Accordingly, we improve the modeling in three steps: 1) To extract speaker representation with better generalization, we factorize the speaker characteristics into basis vectors and extract speaker representation by weighted combining of these basis vectors through attention. 2) We leverage conditional layer normalization to integrate the extracted speaker representation to TTS model. 3) We propose a novel supervision loss based on the distribution of basis vectors to maintain the corresponding speaker characteristics in generated mel-spectrograms. Without any fine-tuning, AdaSpeech 4 achieves better voice quality and similarity than baselines in multiple datasets.

eess.AS↗

arXiv2022

Two Coupled Rejection Metrics Can Tell Adversarial Examples Apart

Correctly classifying adversarial examples is an essential but challenging requirement for safely deploying machine learning models. As reported in RobustBench, even the state-of-the-art adversarially trained models struggle to exceed 67% robust test accuracy on CIFAR-10, which is far from practical. A complementary way towards robustness is to introduce a rejection option, allowing the model to not return predictions on uncertain inputs, where confidence is a commonly used certainty proxy. Along with this routine, we find that confidence and a rectified confidence (R-Con) can form two coupled rejection metrics, which could provably distinguish wrongly classified inputs from correctly classified ones. This intriguing property sheds light on using coupling strategies to better detect and reject adversarial examples. We evaluate our rectified rejection (RR) module on CIFAR-10, CIFAR-10-C, and CIFAR-100 under several attacks including adaptive ones, and demonstrate that the RR module is compatible with different adversarial training frameworks on improving robustness, with little extra computation. The code is available at https://github.com/P2333/Rectified-Rejection.

cs.LG↗

arXiv2022

Multi-View Substructure Learning for Drug-Drug Interaction Prediction

Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment. Previous studies usually model drug information constrained on a single view such as the drug itself, leading to incomplete and noisy information, which limits the accuracy of DDI prediction. In this work, we propose a novel multi- view drug substructure network for DDI prediction (MSN-DDI), which learns chemical substructures from both the representations of the single drug (intra-view) and the drug pair (inter-view) simultaneously and utilizes the substructures to update the drug representation iteratively. Comprehensive evaluations demonstrate that MSN-DDI has almost solved DDI prediction for existing drugs by achieving a relatively improved accuracy of 19.32% and an over 99% accuracy under the transductive setting. More importantly, MSN-DDI exhibits better generalization ability to unseen drugs with a relatively improved accuracy of 7.07% under more challenging inductive scenarios. Finally, MSN-DDI improves prediction performance for real-world DDI applications to new drugs.

q-bio.BM↗

arXiv2022

DEPTS: Deep Expansion Learning for Periodic Time Series Forecasting

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.

cs.LG↗

arXiv2022

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

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}.

physics.chem-ph↗

arXiv2022

Revisiting Over-Smoothness in Text to Speech

Non-autoregressive text to speech (NAR-TTS) models have attracted much attention from both academia and industry due to their fast generation speed. One limitation of NAR-TTS models is that they ignore the correlation in time and frequency domains while generating speech mel-spectrograms, and thus cause blurry and over-smoothed results. In this work, we revisit this over-smoothing problem from a novel perspective: the degree of over-smoothness is determined by the gap between the complexity of data distributions and the capability of modeling methods. Both simplifying data distributions and improving modeling methods can alleviate the problem. Accordingly, we first study methods reducing the complexity of data distributions. Then we conduct a comprehensive study on NAR-TTS models that use some advanced modeling methods. Based on these studies, we find that 1) methods that provide additional condition inputs reduce the complexity of data distributions to model, thus alleviating the over-smoothing problem and achieving better voice quality. 2) Among advanced modeling methods, Laplacian mixture loss performs well at modeling multimodal distributions and enjoys its simplicity, while GAN and Glow achieve the best voice quality while suffering from increased training or model complexity. 3) The two categories of methods can be combined to further alleviate the over-smoothness and improve the voice quality. 4) Our experiments on the multi-speaker dataset lead to similar conclusions as above and providing more variance information can reduce the difficulty of modeling the target data distribution and alleviate the requirements for model capacity.

eess.AS↗

arXiv2022

PriorGrad: Improving Conditional Denoising Diffusion Models with Data-Dependent Adaptive Prior

Denoising diffusion probabilistic models have been recently proposed to generate high-quality samples by estimating the gradient of the data density. The framework defines the prior noise as a standard Gaussian distribution, whereas the corresponding data distribution may be more complicated than the standard Gaussian distribution, which potentially introduces inefficiency in denoising the prior noise into the data sample because of the discrepancy between the data and the prior. In this paper, we propose PriorGrad to improve the efficiency of the conditional diffusion model for speech synthesis (for example, a vocoder using a mel-spectrogram as the condition) by applying an adaptive prior derived from the data statistics based on the conditional information. We formulate the training and sampling procedures of PriorGrad and demonstrate the advantages of an adaptive prior through a theoretical analysis. Focusing on the speech synthesis domain, we consider the recently proposed diffusion-based speech generative models based on both the spectral and time domains and show that PriorGrad achieves faster convergence and inference with superior performance, leading to an improved perceptual quality and robustness to a smaller network capacity, and thereby demonstrating the efficiency of a data-dependent adaptive prior.

stat.ML↗

arXiv2022

AF$_2$: Adaptive Focus Framework for Aerial Imagery Segmentation

As a specific semantic segmentation task, aerial imagery segmentation has been widely employed in high spatial resolution (HSR) remote sensing images understanding. Besides common issues (e.g. large scale variation) faced by general semantic segmentation tasks, aerial imagery segmentation has some unique challenges, the most critical one among which lies in foreground-background imbalance. There have been some recent efforts that attempt to address this issue by proposing sophisticated neural network architectures, since they can be used to extract informative multi-scale feature representations and increase the discrimination of object boundaries. Nevertheless, many of them merely utilize those multi-scale representations in ad-hoc measures but disregard the fact that the semantic meaning of objects with various sizes could be better identified via receptive fields of diverse ranges. In this paper, we propose Adaptive Focus Framework (AF$_2$), which adopts a hierarchical segmentation procedure and focuses on adaptively utilizing multi-scale representations generated by widely adopted neural network architectures. Particularly, a learnable module, called Adaptive Confidence Mechanism (ACM), is proposed to determine which scale of representation should be used for the segmentation of different objects. Comprehensive experiments show that AF$_2$ has significantly improved the accuracy on three widely used aerial benchmarks, as fast as the mainstream method.

cs.CV↗

arXiv2022

Dynamic Relation Discovery and Utilization in Multi-Entity Time Series Forecasting

Time series forecasting plays a key role in a variety of domains. In a lot of real-world scenarios, there exist multiple forecasting entities (e.g. power station in the solar system, stations in the traffic system). A straightforward forecasting solution is to mine the temporal dependency for each individual entity through 1d-CNN, RNN, transformer, etc. This approach overlooks the relations between these entities and, in consequence, loses the opportunity to improve performance using spatial-temporal relation. However, in many real-world scenarios, beside explicit relation, there could exist crucial yet implicit relation between entities. How to discover the useful implicit relation between entities and effectively utilize the relations for each entity under various circumstances is crucial. In order to mine the implicit relation between entities as much as possible and dynamically utilize the relation to improve the forecasting performance, we propose an attentional multi-graph neural network with automatic graph learning (A2GNN) in this work. Particularly, a Gumbel-softmax based auto graph learner is designed to automatically capture the implicit relation among forecasting entities. We further propose an attentional relation learner that enables every entity to dynamically pay attention to its preferred relations. Extensive experiments are conducted on five real-world datasets from three different domains. The results demonstrate the effectiveness of A2GNN beyond several state-of-the-art methods.

cs.LG↗

arXiv2022

HIST: A Graph-based Framework for Stock Trend Forecasting via Mining Concept-Oriented Shared Information

Stock trend forecasting, which forecasts stock prices' future trends, plays an essential role in investment. The stocks in a market can share information so that their stock prices are highly correlated. Several methods were recently proposed to mine the shared information through stock concepts (e.g., technology, Internet Retail) extracted from the Web to improve the forecasting results. However, previous work assumes the connections between stocks and concepts are stationary, and neglects the dynamic relevance between stocks and concepts, limiting the forecasting results. Moreover, existing methods overlook the invaluable shared information carried by hidden concepts, which measure stocks' commonness beyond the manually defined stock concepts. To overcome the shortcomings of previous work, we proposed a novel stock trend forecasting framework that can adequately mine the concept-oriented shared information from predefined concepts and hidden concepts. The proposed framework simultaneously utilize the stock's shared information and individual information to improve the stock trend forecasting performance. Experimental results on the real-world tasks demonstrate the efficiency of our framework on stock trend forecasting. The investment simulation shows that our framework can achieve a higher investment return than the baselines.

q-fin.ST↗

arXiv2022

Curriculum Offline Imitation Learning

Offline reinforcement learning (RL) tasks require the agent to learn from a pre-collected dataset with no further interactions with the environment. Despite the potential to surpass the behavioral policies, RL-based methods are generally impractical due to the training instability and bootstrapping the extrapolation errors, which always require careful hyperparameter tuning via online evaluation. In contrast, offline imitation learning (IL) has no such issues since it learns the policy directly without estimating the value function by bootstrapping. However, IL is usually limited in the capability of the behavioral policy and tends to learn a mediocre behavior from the dataset collected by the mixture of policies. In this paper, we aim to take advantage of IL but mitigate such a drawback. Observing that behavior cloning is able to imitate neighboring policies with less data, we propose \textit{Curriculum Offline Imitation Learning (COIL)}, which utilizes an experience picking strategy for imitating from adaptive neighboring policies with a higher return, and improves the current policy along curriculum stages. On continuous control benchmarks, we compare COIL against both imitation-based and RL-based methods, showing that it not only avoids just learning a mediocre behavior on mixed datasets but is also even competitive with state-of-the-art offline RL methods.

cs.LG↗

arXiv2021

The Implicit Bias for Adaptive Optimization Algorithms on Homogeneous Neural Networks

Despite their overwhelming capacity to overfit, deep neural networks trained by specific optimization algorithms tend to generalize well to unseen data. Recently, researchers explained it by investigating the implicit regularization effect of optimization algorithms. A remarkable progress is the work (Lyu&Li, 2019), which proves gradient descent (GD) maximizes the margin of homogeneous deep neural networks. Except GD, adaptive algorithms such as AdaGrad, RMSProp and Adam are popular owing to their rapid training process. However, theoretical guarantee for the generalization of adaptive optimization algorithms is still lacking. In this paper, we study the implicit regularization of adaptive optimization algorithms when they are optimizing the logistic loss on homogeneous deep neural networks. We prove that adaptive algorithms that adopt exponential moving average strategy in conditioner (such as Adam and RMSProp) can maximize the margin of the neural network, while AdaGrad that directly sums historical squared gradients in conditioner can not. It indicates superiority on generalization of exponential moving average strategy in the design of the conditioner. Technically, we provide a unified framework to analyze convergent direction of adaptive optimization algorithms by constructing novel adaptive gradient flow and surrogate margin. Our experiments can well support the theoretical findings on convergent direction of adaptive optimization algorithms.

cs.LG↗

arXiv2021

SHGNN: Structure-Aware Heterogeneous Graph Neural Network

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various downstream applications. Many meta-path based embedding methods have been proposed to learn the semantic information of heterogeneous graphs in recent years. However, most of the existing techniques overlook the graph structure information when learning the heterogeneous graph embeddings. This paper proposes a novel Structure-Aware Heterogeneous Graph Neural Network (SHGNN) to address the above limitations. In detail, we first utilize a feature propagation module to capture the local structure information of intermediate nodes in the meta-path. Next, we use a tree-attention aggregator to incorporate the graph structure information into the aggregation module on the meta-path. Finally, we leverage a meta-path aggregator to fuse the information aggregated from different meta-paths. We conducted experiments on node classification and clustering tasks and achieved state-of-the-art results on the benchmark datasets, which shows the effectiveness of our proposed method.

cs.SI↗

arXiv2021

Do Transformers Really Perform Bad for Graph Representation?

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.

cs.LG↗

arXiv2021

Incorporating NODE with Pre-trained Neural Differential Operator for Learning Dynamics

Learning dynamics governed by differential equations is crucial for predicting and controlling the systems in science and engineering. Neural Ordinary Differential Equation (NODE), a deep learning model integrated with differential equations, is popular in learning dynamics recently due to its robustness to irregular samples and its flexibility to high-dimensional input. However, the training of NODE is sensitive to the precision of the numerical solver, which makes the convergence of NODE unstable, especially for ill-conditioned dynamical systems. In this paper, to reduce the reliance on the numerical solver, we propose to enhance the supervised signal in the training of NODE. Specifically, we pre-train a neural differential operator (NDO) to output an estimation of the derivatives to serve as an additional supervised signal. The NDO is pre-trained on a class of basis functions and learns the mapping between the trajectory samples of these functions to their derivatives. To leverage both the trajectory signal and the estimated derivatives from NDO, we propose an algorithm called NDO-NODE, in which the loss function contains two terms: the fitness on the true trajectory samples and the fitness on the estimated derivatives that are outputted by the pre-trained NDO. Experiments on various kinds of dynamics show that our proposed NDO-NODE can consistently improve the forecasting accuracy with one pre-trained NDO. Especially for the stiff ODEs, we observe that NDO-NODE can capture the transitions in the dynamics more accurately compared with other regularization methods.

cs.LG↗

arXiv2021

On the Generative Utility of Cyclic Conditionals

We study whether and how can we model a joint distribution $p(x,z)$ using two conditional models $p(x|z)$ and $q(z|x)$ that form a cycle. This is motivated by the observation that deep generative models, in addition to a likelihood model $p(x|z)$, often also use an inference model $q(z|x)$ for extracting representation, but they rely on a usually uninformative prior distribution $p(z)$ to define a joint distribution, which may render problems like posterior collapse and manifold mismatch. To explore the possibility to model a joint distribution using only $p(x|z)$ and $q(z|x)$, we study their compatibility and determinacy, corresponding to the existence and uniqueness of a joint distribution whose conditional distributions coincide with them. We develop a general theory for operable equivalence criteria for compatibility, and sufficient conditions for determinacy. Based on the theory, we propose a novel generative modeling framework CyGen that only uses the two cyclic conditional models. We develop methods to achieve compatibility and determinacy, and to use the conditional models to fit and generate data. With the prior constraint removed, CyGen better fits data and captures more representative features, supported by both synthetic and real-world experiments.

cs.LG↗

arXiv2021

Large Scale Private Learning via Low-rank Reparametrization

We propose a reparametrization scheme to address the challenges of applying differentially private SGD on large neural networks, which are 1) the huge memory cost of storing individual gradients, 2) the added noise suffering notorious dimensional dependence. Specifically, we reparametrize each weight matrix with two \emph{gradient-carrier} matrices of small dimension and a \emph{residual weight} matrix. We argue that such reparametrization keeps the forward/backward process unchanged while enabling us to compute the projected gradient without computing the gradient itself. To learn with differential privacy, we design \emph{reparametrized gradient perturbation (RGP)} that perturbs the gradients on gradient-carrier matrices and reconstructs an update for the original weight from the noisy gradients. Importantly, we use historical updates to find the gradient-carrier matrices, whose optimality is rigorously justified under linear regression and empirically verified with deep learning tasks. RGP significantly reduces the memory cost and improves the utility. For example, we are the first able to apply differential privacy on the BERT model and achieve an average accuracy of $83.9\%$ on four downstream tasks with $ε=8$, which is within $5\%$ loss compared to the non-private baseline but enjoys much lower privacy leakage risk.

cs.LG↗

arXiv2021

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

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.

cs.LG↗