102 accepted papers
Protein foundation models have advanced rapidly, with most approaches falling into two dominant paradigms. Sequence-only language models (e.g., ESM-2) capture sequence semantics at scale but lack structural grounding. MSA-based predictors (e.g., AlphaFold 2/3) achieve accurate folding by exploiting…
Debiased recommendation focuses on alleviating the negative impact of various biases on recommendation quality to achieve fairer personalized recommendations. Current research mainly relies on propensity score estimation or causal inference methods to alleviate selection bias; at the same time, rese
Financial fraud detection is critical for market transparency and regulatory compliance. Existing methods often ignore the temporal patterns in financial data, which are essential for understanding dynamic financial behaviors and detecting fraud. Moreover, they also treat companies as independent en
In this paper, we propose a novel learning paradigm, termed *Chain-of-Model* (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style. thereby introducing great scaling efficiency in model training and inference flexibility in deployment.We introduce th…
Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those in chemistry, biology and materials science. However, EGNNs face substantial computational challenges due to the high cost of constructing edge features via spherical tenso…
Molecular docking that predicts the bound structures of small molecules (ligands) to their protein targets, plays a vital role in drug discovery. However, existing docking methods often face limitations: they either overlook crucial structural changes by assuming protein rigidity or suffer from low…
Personalized federated learning (PFL) achieves high performance by assuming clients only meet test data locally, which does not meet many generic federated learning (GFL) scenarios. In this work, we theoretically show that PMs can be used to enhance GFL with a new learning problem named Selective FL…
Text-to-image diffusion models have emerged as powerful tools for high-quality image generation and editing. Many existing approaches rely on text prompts as editing guidance. However, these methods are constrained by the need for manual prompt crafting, which can be time-consuming, introduce irrele
Recent advances in text-to-speech synthesis have achieved notable success in generating high-quality short utterances for individual speakers. However, these systems still face challenges when extending their capabilities to long, multi-speaker, and spontaneous dialogues, typical of real-world scena…
Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of…
Diagram Question Answering (DQA) is a challenging task requiring models to answer natural language questions based on visual diagram contexts. It serves as a crucial basis for academic tutoring technical support and more practical applications. DQA poses significant challenges such as the demand for…
Scaling text-to-speech (TTS) to large-scale, multi-speaker, and in-the-wild datasets is important to capture the diversity in human speech such as speaker identities, prosodies, and styles (e.g., singing). Current large TTS systems usually quantize speech into discrete tokens and use language models…
While recent large-scale text-to-speech (TTS) models have achieved significant progress, they still fall shorts in speech quality, similarity, and prosody. Considering that speech intricately encompasses various attributes (e.g., content, prosody, timbre, and acoustic details) that pose significant…
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…
Speech conveys more information than text, as the same word can be uttered in various voices to convey diverse information. Compared to traditional text-to-speech (TTS) methods relying on speech prompts (reference speech) for voice variability, using text prompts (descriptions) is more user-friendly…
Current lyric-to-melody generation methods struggle with the lack of paired lyric-melody data to train, and the lack of adherence to composition guidelines, resulting in melodies that do not sound human-composed. To address these issues, we propose a novel paradigm called Re-creation of Creations (R…
Machine learning methods for conditional data generation usually build a mapping from source conditional data X to target data Y. The target Y (e.g., text, speech, music, image, video) is usually high-dimensional and complex, and contains information that does not exist in source data, which hinders…
Cyclic compounds that contain at least one ring play an important role in drug design. Despite the recent success of molecular modeling with graph neural networks (GNNs), few models explicitly take rings in compounds into consideration, consequently limiting the expressiveness of the models. In this…
Transformer-based autoregressive (AR) methods have achieved appealing performance for varied sequence-to-sequence generation tasks, e.g., neural machine translation, summarization, and code generation, but suffer from low inference efficiency. To speed up the inference stage, many non-autoregressive…
De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing molecule fragments. However, the motif vocabulary, i.e., the collec…
While Neural Machine Translation (NMT) has achieved great progress in recent years, it still suffers from inaccurate translation of entities (e.g., person/organization name, location), due to the lack of entity training instances. When we humans encounter an unknown entity during translation, we usu…
Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emergi…
By properly utilizing the learned environment model, model-based reinforcement learning methods can improve the sample efficiency for decision-making problems. Beyond using the learned environment model to train a policy, the success of MCTS-based methods shows that directly incorporating the learne…
Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific discovery, in this paper, we propose MolXPT, a unified langua…
Traveling Salesman Problem (TSP), as a classic routing optimization problem originally arising in the domain of transportation and logistics, has become a critical task in broader domains, such as manufacturing and biology. Recently, Deep Reinforcement Learning (DRL) has been increasingly employed t…
Retrosynthesis, which predicts the reactants of a given target molecule, is an essential task for drug discovery. In recent years, the machine learing based retrosynthesis methods have achieved promising results. In this work, we introduce RetroKNN, a local reaction template retrieval method to furt…
Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising re…
Error correction in automatic speech recognition (ASR) aims to correct those incorrect words in sentences generated by ASR models. Since recent ASR models usually have low word error rate (WER), to avoid affecting originally correct tokens, error correction models should only modify incorrect words,…
It is difficult for non-autoregressive translation (NAT) models to capture the multi-modal distribution of target translations due to their conditional independence assumption, which is known as the “multi-modality problem”, including the lexical multi-modality and the syntactic multi-modality. Whil…
One of the key challenges in deploying RL to real-world applications is to adapt to variations of unknown environment contexts, such as changing terrains in robotic tasks and fluctuated bandwidth in congestion control. Existing works on adaptation to unknown environment contexts either assume the co…
Weight sharing is a popular approach to reduce the training cost of neural architecture search (NAS) by reusing the weights of shared operators from previously trained child models. However, the rank correlation between the estimated accuracy and ground truth accuracy of those child models is low du…
Binaural audio plays a significant role in constructing immersive augmented and virtual realities. As it is expensive to record binaural audio from the real world, synthesizing them from mono audio has attracted increasing attention. This synthesis process involves not only the basic physical warpin…
Multilingual Neural Machine Translation (MNMT) enables one system to translate sentences from multiple source languages to multiple target languages, greatly reducing deployment costs compared with conventional bilingual systems. The MNMT training benefit, however, is often limited to many-to-one di…
Partial-label learning (PLL) solves the multi-class classification problem, where each training instance is assigned a set of candidate labels that include the true label. Recent advances showed that PLL can be compatible with deep neural networks, which achieved state-of-the-art performance. Howeve…
Question Answering (QA) has been a long-standing research topic in AI and NLP fields, and a wealth of studies has been conducted to attempt to equip QA systems with human-level reasoning capability. To approximate the complicated human reasoning process, state-of-the-art QA systems commonly use pre-…
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 e…
Denoising diffusion probabilistic models have been recently proposed to generate high-quality samples by estimating the gradient of the data density. The framework assumes the prior noise as a standard Gaussian distribution, whereas the corresponding data distribution may be more complicated than th…
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 c…
Off-policy evaluation (OPE) is to evaluate a target policy with data generated by other policies. Most previous OPE methods focus on precisely estimating the true performance of a policy. We observe that in many applications, (1) the end goal of OPE is to compare two or multiple candidate policies a…
Autoregressive sequence generation, a prevalent task in machine learning and natural language processing, generates every target token conditioned on both a source input and previously generated target tokens. Previous data augmentation methods, which have been shown to be effective for the task, ma…
Lyric-to-melody generation is an important task in automatic songwriting. Previous lyric-to-melody generation systems usually adopt end-to-end models that directly generate melodies from lyrics, which suffer from several issues: 1) lack of paired lyric-melody training data; 2) lack of control on gen…
We propose a new learning framework that captures the tiered structure of many real-world user-interaction applications, where the users can be divided into two groups based on their different tolerance on exploration risks and should be treated separately. In this setting, we simultaneously maintai…
Deployment efficiency is an important criterion for many real-world applications of reinforcement learning (RL). Despite the community's increasing interest, there lacks a formal theoretical formulation for the problem. In this paper, we propose such a formulation for deployment-efficient RL (DE-RL)…
Sentence scoring aims at measuring the likelihood score of a sentence and is widely used in many natural language processing scenarios, like reranking, which is to select the best sentence from multiple candidates. Previous works on sentence scoring mainly adopted either causal language modeling (CL…
Neural approaches have achieved state-of-the-art accuracy on machine translation but suffer from the high cost of collecting large scale parallel data. Thus, a lot of research has been conducted for neural machine translation (NMT) with very limited parallel data, i.e., the low-resource setting. In…
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 from her/him. Custom voice presents two unique challenges for TTS adaptation: 1) to support diverse customers, the…
Text to speech (TTS) is widely used to synthesize personal voice for a target speaker, where a well-trained source TTS model is fine-tuned with few paired adaptation data (speech and its transcripts) on this target speaker. However, in many scenarios, only untranscribed speech data is available for…
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-…
While neural-based text to speech (TTS) models can synthesize natural and intelligible voice, they usually require high-quality speech data, which is costly to collect. In many scenarios, only noisy speech of a target speaker is available, which presents challenges for TTS model training for this sp…
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…
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 se…
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, wh…
Non-autoregressive text to speech (TTS) models such as FastSpeech can synthesize speech significantly faster than previous autoregressive models with comparable quality. The training of FastSpeech model relies on an autoregressive teacher model for duration prediction (to provide more information as…
Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an u…
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 \emph{layer order} is fixed and kep…
Most of existing advantage function estimation methods in reinforcement learning suffer from the problem of high variance, which scales unfavorably with the time horizon. To address this challenge, we propose to identify the independence property between current action and future states in environme…
Conventional supervised learning methods, especially deep ones, are found to be sensitive to out-of-distribution (OOD) examples, largely because the learned representation mixes the semantic factor with the variation factor due to their domain-specific correlation, while only the semantic factor cau…
Recently the concept of teaching has been introduced into machine learning, in which a teacher model is used to guide the training of a student model (which will be used in real tasks) through data selection, loss function design, etc. Learning to reweight, which is a specific kind of teaching that…
Text to speech (TTS) has been broadly used to synthesize natural and intelligible speech in different scenarios. Deploying TTS in various end devices such as mobile phones or embedded devices requires extremely small memory usage and inference latency. While non-autoregressive TTS models such as Fas…
Mean opinion score (MOS) is a popular subjective metric to assess the quality of synthesized speech, and usually involves multiple human judges to evaluate each speech utterance. To reduce the labor cost in MOS test, multiple methods have been proposed to automatically predict MOS scores. To our kno…
In this paper, we propose MixSpeech, a simple yet effective data augmentation method based on mixup for automatic speech recognition (ASR). MixSpeech trains an ASR model by taking a weighted combination of two different speech features (e.g., mel-spectrograms or MFCC) as the input, and recognizing b…
Behavioral cloning has proven to be effective for learning sequential decision-making policies from expert demonstrations. However, behavioral cloning often suffers from the causal confusion problem where a policy relies on the noticeable effect of expert actions due to the strong correlation but no…
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 extra…
Dropout is a powerful and widely used technique to regularize the training of deep neural networks. Though effective and performing well, the randomness introduced by dropout causes unnegligible inconsistency between training and inference. In this paper, we introduce a simple consistency training s…
Distributional shifts between training and target domains may degrade the prediction accuracy of learned models, mainly because these models often learn features that possess only correlation rather than causal relation with the output. Such a correlation, which is known as ``spurious correlation''…
Recently, various auxiliary tasks have been proposed to accelerate representation learning and improve sample efficiency in deep reinforcement learning (RL). However, existing auxiliary tasks do not take the characteristics of RL problems into consideration and are unsupervised. By leveraging return…
Automatic song writing aims to compose a song (lyric and/or melody) by machine, which is an interesting topic in both academia and industry. In automatic song writing, lyric-to-melody generation and melody-to-lyric generation are two important tasks, both of which usually suffer from the following c…
Neural Transducer (e.g., RNN-T) has been widely used in automatic speech recognition (ASR) due to its capabilities of efficiently modeling monotonic alignments between input and output sequences and naturally supporting streaming inputs. Considering that monotonic alignments are also critical to tex…
Sequence learning has attracted much research attention from the machine learning community in recent years. In many applications, a sequence learning task is usually associated with multiple temporally correlated auxiliary tasks, which are different in terms of how much input information to use or…
Existing speech to speech translation systems heavily rely on the text of target language: they usually translate source language either to target text and then synthesize target speech from text, or directly to target speech with target text for auxiliary training. However, those methods cannot be…
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, c…
The recently proposed BERT (Devlin et al., 2019) has shown great power on a variety of natural language understanding tasks, such as text classification, reading comprehension, etc. However, how to effectively apply BERT to neural machine translation (NMT) lacks enough exploration. While BERT is mor…
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 f…
Reward decomposition, which aims to decompose the full reward into multiple sub-rewards, has been proven beneficial for improving sample efficiency in reinforcement learning. Existing works on discovering reward decomposition are mostly policy dependent, which constrains diverse or disentangled beha…
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 architec…
Tokenization is the first step of many natural language processing (NLP) tasks and plays an important role for neural NLP models. Tokenizaton method such as byte-pair encoding (BPE), which can greatly reduce the large vocabulary and deal with out-of-vocabulary words, has shown to be effective and is…
Non-autoregressive translation (NAT) achieves faster inference speed but at the cost of worse accuracy compared with autoregressive translation (AT). Since AT and NAT can share model structure and AT is an easier task than NAT due to the explicit dependency on previous target-side tokens, a natural…
Text to speech (TTS) and automatic speech recognition (ASR) are two dual tasks in speech processing and both achieve impressive performance thanks to the recent advance in deep learning and large amount of aligned speech and text data. However, the lack of aligned data poses a major practical proble…
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 decompos…
Unsupervised pre-training is popularly used in natural language processing. By designing proper unsupervised prediction tasks, a deep neural network can be trained and shown to be effective in many downstream tasks. As the data is usually adequate, the model for pre-training is generally huge and co…
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 t…
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 parameteri…
Pre-training and fine-tuning, e.g., BERT \citep{devlin2018bert}, 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…
Dual learning has attracted much attention in machine learning, computer vision and natural language processing communities. The core idea of dual learning is to leverage the duality between the primal task (mapping from domain X to domain Y) and dual task (mapping from domain Y to X) to boost the p…
Multilingual machine translation, which translates multiple languages with a single model, has attracted much attention due to its efficiency of offline training and online serving. However, traditional multilingual translation usually yields inferior accuracy compared with the counterpart using ind…
Neural machine translation models usually use the encoder-decoder framework and generate translation from left to right (or right to left) without fully utilizing the target-side global information. A few recent approaches seek to exploit the global information through two-pass decoding, yet have li…
The long-short-term memory (LSTM), though powerful, is memory and computa\x02tion expensive. To alleviate this problem, one approach is to compress its weights by quantization. However, existing quantization methods usually have inferior performance when used on LSTMs. In this paper, we first show t…
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 tyi…
Image-to-image translation tasks have been widely investigated with Generative Adversarial Networks (GANs) and dual learning. However, existing models lack the ability to control the translated results in the target domain and their results usually lack of diversity in the sense that a fixed image u…
Continuous word representation (aka word embedding) is a basic building block in many neural network-based models used in natural language processing tasks. Although it is widely accepted that words with similar semantics should be close to each other in the embedding space, we find that word embedd…
Neural Machine Translation (NMT) has achieved remarkable progress with the quick evolvement of model structures. In this paper, we propose the concept of layer-wise coordination for NMT, which explicitly coordinates the learning of hidden representations of the encoder and decoder together layer by…
Teaching plays a very important role in our society, by spreading human knowledge and educating our next generations. A good teacher will select appropriate teaching materials, impact suitable methodologies, and set up targeted examinations, according to the learning behaviors of the students. In th…
Teaching is critical to human society: it is with teaching that prospective students are educated and human civilization can be inherited and advanced. A good teacher not only provides his/her students with qualified teaching materials (e.g., textbooks), but also sets up appropriate learning objecti…
Many artificial intelligence tasks appear in dual forms like English$\leftrightarrow$French translation and speech$\leftrightarrow$text transformation. Existing dual learning schemes, which are proposed to solve a pair of such dual tasks, explore how to leverage such dualities from data level. In th…
Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a discrete space, which is highly inefficient. In this paper,…
Long Short-Term Memory (LSTM) is one of the most widely used recurrent structures in sequence modeling. It aims to use gates to control information flow (e.g., whether to skip some information or not) in the recurrent computations, although its practical implementation based on soft gates only parti…
Neural Machine Translation (NMT) has become a popular technology in recent years, and beam search is its de facto decoding method due to the shrunk search space and reduced computational complexity. However, since it only searches for local optima at each time step through one-step forward looking,…
The encoder-decoder framework has achieved promising progress for many sequence generation tasks, including machine translation, text summarization, dialog system, image captioning, etc. Such a framework adopts an one-pass forward process while decoding and generating a sequence, but lacks the delib…
Many supervised learning tasks are emerged in dual forms, e.g., English-to-French translation vs. French-to-English translation, speech recognition vs. text to speech, and image classification vs. image generation. Two dual tasks have intrinsic connections with each other due to the probabilistic co…
Mini-batch based Stochastic Gradient Descent(SGD) has been widely used to train deep neural networks efficiently. In this paper, we design a general framework to automatically and adaptively select training data for SGD. The framework is based on neural networks and we call it \emph{\textbf{N}eural…
While neural machine translation (NMT) is making good progress in the past two years, tens of millions of bilingual sentence pairs are needed for its training. However, human labeling is very costly. To tackle this training data bottleneck, we develop a dual-learning mechanism, which can enable an N…
Recurrent neural networks (RNNs) have achieved state-of-the-art performances in many natural language processing tasks, such as language modeling and machine translation. However, when the vocabulary is large, the RNN model will become very big (e.g., possibly beyond the memory capacity of a GPU dev…