arXiv subjects

Hua Wu

Publications and source records attributed to Hua Wu.

At least 145 records · Page 8Linked to original sources

arXiv2022

HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer

Accurate ADMET (an abbreviation for "absorption, distribution, metabolism, excretion, and toxicity") predictions can efficiently screen out undesirable drug candidates in the early stage of drug discovery. In recent years, multiple comprehensive ADMET systems that adopt advanced machine learning models have been developed, providing services to estimate multiple endpoints. However, those ADMET systems usually suffer from weak extrapolation ability. First, due to the lack of labelled data for each endpoint, typical machine learning models perform frail for the molecules with unobserved scaffolds. Second, most systems only provide fixed built-in endpoints and cannot be customised to satisfy various research requirements. To this end, we develop a robust and endpoint extensible ADMET system, HelixADMET (H-ADMET). H-ADMET incorporates the concept of self-supervised learning to produce a robust pre-trained model. The model is then fine-tuned with a multi-task and multi-stage framework to transfer knowledge between ADMET endpoints, auxiliary tasks, and self-supervised tasks. Our results demonstrate that H-ADMET achieves an overall improvement of 4%, compared with existing ADMET systems on comparable endpoints. Additionally, the pre-trained model provided by H-ADMET can be fine-tuned to generate new and customised ADMET endpoints, meeting various demands of drug research and development requirements.

q-bio.BM↗

arXiv2022

Magnetic frustration in the cubic double perovskite Ba2NiIrO6

Hybrid transition metal oxides continue to attract attention due to their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) and versatile properties. Here we investigate the magnetic and electronic properties of the newly synthesized double perovskite Ba$_2$NiIrO$_6$, using crystal field theory, superexchange model analysis, density functional calculations, and parallel tempering Monte Carlo (PTMC) simulations. Our results indicate that Ba$_2$NiIrO$_6$ has the Ni$^{2+}$ ($t_{2g}^{6}e_{g}^{2}$)-Ir$^{6+}$ ($t_{2g}^{3}$) charge states. The first nearest-neighboring (1NN) Ni$^{2+}$-Ir$^{6+}$ ions prefer a ferromagnetic (FM) coupling as expected from the Goodenough-Kanamori-Anderson rules, which contradicts the experimental antiferromagnetic (AF) order in Ba$_2$NiIrO$_6$. We find that the strong 2NN AF couplings are frustrated in the fcc sublattices, and they play a major role in determining the observed AF ground state. We also prove that the $J_{\rm eff}$ = 3/2 and $J_{\rm eff}$ = 1/2 states induced by spin-orbit coupling, which would be manifested in low-dimensional (e.g., layered) iridates, are however not the case for cubic Ba$_2$NiIrO$_6$. Our PTMC simulations show that when the long-range (2NN and 3NN) AF interactions are included, an AF transition with $T_{\rm N}$ = 66 K would be obtained and it is well comparable with the experimental 51 K. Meanwhile, we propose a possible 2$\times$2$\times$2 noncollinear AF structure for Ba$_2$NiIrO$_6$.

cond-mat.str-el↗

arXiv2022

Towards Multi-Turn Empathetic Dialogs with Positive Emotion Elicitation

Emotional support is a crucial skill for many real-world scenarios, including caring for the elderly, mental health support, and customer service chats. This paper presents a novel task of empathetic dialog generation with positive emotion elicitation to promote users' positive emotions, similar to that of emotional support between humans. In this task, the agent conducts empathetic responses along with the target of eliciting the user's positive emotions in the multi-turn dialog. To facilitate the study of this task, we collect a large-scale emotional dialog dataset with positive emotion elicitation, called PosEmoDial (about 820k dialogs, 3M utterances). In these dialogs, the agent tries to guide the user from any possible initial emotional state, e.g., sadness, to a positive emotional state. Then we present a positive-emotion-guided dialog generation model with a novel loss function design. This loss function encourages the dialog model to not only elicit positive emotions from users but also ensure smooth emotional transitions along with the whole dialog. Finally, we establish benchmark results on PosEmoDial, and we will release this dataset and related source code to facilitate future studies.

cs.CL↗

arXiv2022

Where to Go for the Holidays: Towards Mixed-Type Dialogs for Clarification of User Goals

Most dialog systems posit that users have figured out clear and specific goals before starting an interaction. For example, users have determined the departure, the destination, and the travel time for booking a flight. However, in many scenarios, limited by experience and knowledge, users may know what they need, but still struggle to figure out clear and specific goals by determining all the necessary slots. In this paper, we identify this challenge and make a step forward by collecting a new human-to-human mixed-type dialog corpus. It contains 5k dialog sessions and 168k utterances for 4 dialog types and 5 domains. Within each session, an agent first provides user-goal-related knowledge to help figure out clear and specific goals, and then help achieve them. Furthermore, we propose a mixed-type dialog model with a novel Prompt-based continual learning mechanism. Specifically, the mechanism enables the model to continually strengthen its ability on any specific type by utilizing existing dialog corpora effectively.

cs.CL↗

arXiv2022

ERNIE-SPARSE: Learning Hierarchical Efficient Transformer Through Regularized Self-Attention

Sparse Transformer has recently attracted a lot of attention since the ability for reducing the quadratic dependency on the sequence length. We argue that two factors, information bottleneck sensitivity and inconsistency between different attention topologies, could affect the performance of the Sparse Transformer. This paper proposes a well-designed model named ERNIE-Sparse. It consists of two distinctive parts: (i) Hierarchical Sparse Transformer (HST) to sequentially unify local and global information. (ii) Self-Attention Regularization (SAR) method, a novel regularization designed to minimize the distance for transformers with different attention topologies. To evaluate the effectiveness of ERNIE-Sparse, we perform extensive evaluations. Firstly, we perform experiments on a multi-modal long sequence modeling task benchmark, Long Range Arena (LRA). Experimental results demonstrate that ERNIE-Sparse significantly outperforms a variety of strong baseline methods including the dense attention and other efficient sparse attention methods and achieves improvements by 2.77% (57.78% vs. 55.01%). Secondly, to further show the effectiveness of our method, we pretrain ERNIE-Sparse and verified it on 3 text classification and 2 QA downstream tasks, achieve improvements on classification benchmark by 0.83% (92.46% vs. 91.63%), on QA benchmark by 3.24% (74.67% vs. 71.43%). Experimental results continue to demonstrate its superior performance.

cs.CL↗

arXiv2022

Unified Structure Generation for Universal Information Extraction

Information extraction suffers from its varying targets, heterogeneous structures, and demand-specific schemas. In this paper, we propose a unified text-to-structure generation framework, namely UIE, which can universally model different IE tasks, adaptively generate targeted structures, and collaboratively learn general IE abilities from different knowledge sources. Specifically, UIE uniformly encodes different extraction structures via a structured extraction language, adaptively generates target extractions via a schema-based prompt mechanism - structural schema instructor, and captures the common IE abilities via a large-scale pre-trained text-to-structure model. Experiments show that UIE achieved the state-of-the-art performance on 4 IE tasks, 13 datasets, and on all supervised, low-resource, and few-shot settings for a wide range of entity, relation, event and sentiment extraction tasks and their unification. These results verified the effectiveness, universality, and transferability of UIE.

cs.CL↗

arXiv2022

DU-VLG: Unifying Vision-and-Language Generation via Dual Sequence-to-Sequence Pre-training

Due to the limitations of the model structure and pre-training objectives, existing vision-and-language generation models cannot utilize pair-wise images and text through bi-directional generation. In this paper, we propose DU-VLG, a framework which unifies vision-and-language generation as sequence generation problems. DU-VLG is trained with novel dual pre-training tasks: multi-modal denoising autoencoder tasks and modality translation tasks. To bridge the gap between image understanding and generation, we further design a novel commitment loss. We compare pre-training objectives on image captioning and text-to-image generation datasets. Results show that DU-VLG yields better performance than variants trained with uni-directional generation objectives or the variant without the commitment loss. We also obtain higher scores compared to previous state-of-the-art systems on three vision-and-language generation tasks. In addition, human judges further confirm that our model generates real and relevant images as well as faithful and informative captions.

cs.CV↗

arXiv2022

UNIMO-2: End-to-End Unified Vision-Language Grounded Learning

Vision-Language Pre-training (VLP) has achieved impressive performance on various cross-modal downstream tasks. However, most existing methods can only learn from aligned image-caption data and rely heavily on expensive regional features, which greatly limits their scalability and performance. In this paper, we propose an end-to-end unified-modal pre-training framework, namely UNIMO-2, for joint learning on both aligned image-caption data and unaligned image-only and text-only corpus. We build a unified Transformer model to jointly learn visual representations, textual representations and semantic alignment between images and texts. In particular, we propose to conduct grounded learning on both images and texts via a sharing grounded space, which helps bridge unaligned images and texts, and align the visual and textual semantic spaces on different types of corpora. The experiments show that our grounded learning method can improve textual and visual semantic alignment for improving performance on various cross-modal tasks. Moreover, benefiting from effective joint modeling of different types of corpora, our model also achieves impressive performance on single-modal visual and textual tasks. Our code and models are public at the UNIMO project page https://unimo-ptm.github.io/.

cs.CV↗

arXiv2022

PLANET: Dynamic Content Planning in Autoregressive Transformers for Long-form Text Generation

Despite recent progress of pre-trained language models on generating fluent text, existing methods still suffer from incoherence problems in long-form text generation tasks that require proper content control and planning to form a coherent high-level logical flow. In this work, we propose PLANET, a novel generation framework leveraging autoregressive self-attention mechanism to conduct content planning and surface realization dynamically. To guide the generation of output sentences, our framework enriches the Transformer decoder with latent representations to maintain sentence-level semantic plans grounded by bag-of-words. Moreover, we introduce a new coherence-based contrastive learning objective to further improve the coherence of output. Extensive experiments are conducted on two challenging long-form text generation tasks including counterargument generation and opinion article generation. Both automatic and human evaluations show that our method significantly outperforms strong baselines and generates more coherent texts with richer contents.

cs.CL↗

arXiv2022

UNIMO: Towards Unified-Modal Understanding and Generation via Cross-Modal Contrastive Learning

Existed pre-training methods either focus on single-modal tasks or multi-modal tasks, and cannot effectively adapt to each other. They can only utilize single-modal data (i.e. text or image) or limited multi-modal data (i.e. image-text pairs). In this work, we propose a unified-modal pre-training architecture, namely UNIMO, which can effectively adapt to both single-modal and multi-modal understanding and generation tasks. Large scale of free text corpus and image collections can be utilized to improve the capability of visual and textual understanding, and cross-modal contrastive learning (CMCL) is leveraged to align the textual and visual information into a unified semantic space over a corpus of image-text pairs. As the non-paired single-modal data is very rich, our model can utilize much larger scale of data to learn more generalizable representations. Moreover, the textual knowledge and visual knowledge can enhance each other in the unified semantic space. The experimental results show that UNIMO significantly improves the performance of several single-modal and multi-modal downstream tasks. Our code and pre-trained models are public at the UNIMO project page https://unimo-ptm.github.io/

cs.CL↗

arXiv2022

Long Time No See! Open-Domain Conversation with Long-Term Persona Memory

Most of the open-domain dialogue models tend to perform poorly in the setting of long-term human-bot conversations. The possible reason is that they lack the capability of understanding and memorizing long-term dialogue history information. To address this issue, we present a novel task of Long-term Memory Conversation (LeMon) and then build a new dialogue dataset DuLeMon and a dialogue generation framework with Long-Term Memory (LTM) mechanism (called PLATO-LTM). This LTM mechanism enables our system to accurately extract and continuously update long-term persona memory without requiring multiple-session dialogue datasets for model training. To our knowledge, this is the first attempt to conduct real-time dynamic management of persona information of both parties, including the user and the bot. Results on DuLeMon indicate that PLATO-LTM can significantly outperform baselines in terms of long-term dialogue consistency, leading to better dialogue engagingness.

cs.CL↗

arXiv2022

Exploring Contextual Word-level Style Relevance for Unsupervised Style Transfer

Unsupervised style transfer aims to change the style of an input sentence while preserving its original content without using parallel training data. In current dominant approaches, owing to the lack of fine-grained control on the influence from the target style,they are unable to yield desirable output sentences. In this paper, we propose a novel attentional sequence-to-sequence (Seq2seq) model that dynamically exploits the relevance of each output word to the target style for unsupervised style transfer. Specifically, we first pretrain a style classifier, where the relevance of each input word to the original style can be quantified via layer-wise relevance propagation. In a denoising auto-encoding manner, we train an attentional Seq2seq model to reconstruct input sentences and repredict word-level previously-quantified style relevance simultaneously. In this way, this model is endowed with the ability to automatically predict the style relevance of each output word. Then, we equip the decoder of this model with a neural style component to exploit the predicted wordlevel style relevance for better style transfer. Particularly, we fine-tune this model using a carefully-designed objective function involving style transfer, style relevance consistency, content preservation and fluency modeling loss terms. Experimental results show that our proposed model achieves state-of-the-art performance in terms of both transfer accuracy and content preservation.

cs.CL↗

arXiv2022

Faithfulness in Natural Language Generation: A Systematic Survey of Analysis, Evaluation and Optimization Methods

Natural Language Generation (NLG) has made great progress in recent years due to the development of deep learning techniques such as pre-trained language models. This advancement has resulted in more fluent, coherent and even properties controllable (e.g. stylistic, sentiment, length etc.) generation, naturally leading to development in downstream tasks such as abstractive summarization, dialogue generation, machine translation, and data-to-text generation. However, the faithfulness problem that the generated text usually contains unfaithful or non-factual information has become the biggest challenge, which makes the performance of text generation unsatisfactory for practical applications in many real-world scenarios. Many studies on analysis, evaluation, and optimization methods for faithfulness problems have been proposed for various tasks, but have not been organized, compared and discussed in a combined manner. In this survey, we provide a systematic overview of the research progress on the faithfulness problem of NLG, including problem analysis, evaluation metrics and optimization methods. We organize the evaluation and optimization methods for different tasks into a unified taxonomy to facilitate comparison and learning across tasks. Several research trends are discussed further.

cs.CL↗

arXiv2022

Building Chinese Biomedical Language Models via Multi-Level Text Discrimination

Pre-trained language models (PLMs), such as BERT and GPT, have revolutionized the field of NLP, not only in the general domain but also in the biomedical domain. Most prior efforts in building biomedical PLMs have resorted simply to domain adaptation and focused mainly on English. In this work we introduce eHealth, a Chinese biomedical PLM built from scratch with a new pre-training framework. This new framework pre-trains eHealth as a discriminator through both token- and sequence-level discrimination. The former is to detect input tokens corrupted by a generator and recover their original identities from plausible candidates, while the latter is to further distinguish corruptions of a same original sequence from those of others. As such, eHealth can learn language semantics at both token and sequence levels. Extensive experiments on 11 Chinese biomedical language understanding tasks of various forms verify the effectiveness and superiority of our approach. We release the pre-trained model at \url{https://github.com/PaddlePaddle/Research/tree/master/KG/eHealth} and will also release the code later.

cs.CL↗

arXiv2022

ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction

Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Recent advances in graph neural networks (GNNs) have shown great promise in applying GNNs for molecular representation learning. Moreover, a few recent studies have also demonstrated successful applications of self-supervised learning methods to pre-train the GNNs to overcome the problem of insufficient labeled molecules. However, existing GNNs and pre-training strategies usually treat molecules as topological graph data without fully utilizing the molecular geometry information. Whereas, the three-dimensional (3D) spatial structure of a molecule, a.k.a molecular geometry, is one of the most critical factors for determining molecular physical, chemical, and biological properties. To this end, we propose a novel Geometry Enhanced Molecular representation learning method (GEM) for Chemical Representation Learning (ChemRL). At first, we design a geometry-based GNN architecture that simultaneously models atoms, bonds, and bond angles in a molecule. To be specific, we devised double graphs for a molecule: The first one encodes the atom-bond relations; The second one encodes bond-angle relations. Moreover, on top of the devised GNN architecture, we propose several novel geometry-level self-supervised learning strategies to learn spatial knowledge by utilizing the local and global molecular 3D structures. We compare ChemRL-GEM with various state-of-the-art (SOTA) baselines on different molecular benchmarks and exhibit that ChemRL-GEM can significantly outperform all baselines in both regression and classification tasks. For example, the experimental results show an overall improvement of 8.8% on average compared to SOTA baselines on the regression tasks, demonstrating the superiority of the proposed method.

cs.LG↗

arXiv2021

ERNIE-ViLG: Unified Generative Pre-training for Bidirectional Vision-Language Generation

Conventional methods for the image-text generation tasks mainly tackle the naturally bidirectional generation tasks separately, focusing on designing task-specific frameworks to improve the quality and fidelity of the generated samples. Recently, Vision-Language Pre-training models have greatly improved the performance of the image-to-text generation tasks, but large-scale pre-training models for text-to-image synthesis task are still under-developed. In this paper, we propose ERNIE-ViLG, a unified generative pre-training framework for bidirectional image-text generation with transformer model. Based on the image quantization models, we formulate both image generation and text generation as autoregressive generative tasks conditioned on the text/image input. The bidirectional image-text generative modeling eases the semantic alignments across vision and language. For the text-to-image generation process, we further propose an end-to-end training method to jointly learn the visual sequence generator and the image reconstructor. To explore the landscape of large-scale pre-training for bidirectional text-image generation, we train a 10-billion parameter ERNIE-ViLG model on a large-scale dataset of 145 million (Chinese) image-text pairs which achieves state-of-the-art performance for both text-to-image and image-to-text tasks, obtaining an FID of 7.9 on MS-COCO for text-to-image synthesis and best results on COCO-CN and AIC-ICC for image captioning.

cs.CV↗

arXiv2021

TOD-DA: Towards Boosting the Robustness of Task-oriented Dialogue Modeling on Spoken Conversations

Task-oriented dialogue systems have been plagued by the difficulties of obtaining large-scale and high-quality annotated conversations. Furthermore, most of the publicly available datasets only include written conversations, which are insufficient to reflect actual human behaviors in practical spoken dialogue systems. In this paper, we propose Task-oriented Dialogue Data Augmentation (TOD-DA), a novel model-agnostic data augmentation paradigm to boost the robustness of task-oriented dialogue modeling on spoken conversations. The TOD-DA consists of two modules: 1) Dialogue Enrichment to expand training data on task-oriented conversations for easing data sparsity and 2) Spoken Conversation Simulator to imitate oral style expressions and speech recognition errors in diverse granularities for bridging the gap between written and spoken conversations. With such designs, our approach ranked first in both tasks of DSTC10 Track2, a benchmark for task-oriented dialogue modeling on spoken conversations, demonstrating the superiority and effectiveness of our proposed TOD-DA.

cs.CL↗

arXiv2021

ERNIE 3.0 Titan: Exploring Larger-scale Knowledge Enhanced Pre-training for Language Understanding and Generation

Pre-trained language models have achieved state-of-the-art results in various Natural Language Processing (NLP) tasks. GPT-3 has shown that scaling up pre-trained language models can further exploit their enormous potential. A unified framework named ERNIE 3.0 was recently proposed for pre-training large-scale knowledge enhanced models and trained a model with 10 billion parameters. ERNIE 3.0 outperformed the state-of-the-art models on various NLP tasks. In order to explore the performance of scaling up ERNIE 3.0, we train a hundred-billion-parameter model called ERNIE 3.0 Titan with up to 260 billion parameters on the PaddlePaddle platform. Furthermore, we design a self-supervised adversarial loss and a controllable language modeling loss to make ERNIE 3.0 Titan generate credible and controllable texts. To reduce the computation overhead and carbon emission, we propose an online distillation framework for ERNIE 3.0 Titan, where the teacher model will teach students and train itself simultaneously. ERNIE 3.0 Titan is the largest Chinese dense pre-trained model so far. Empirical results show that the ERNIE 3.0 Titan outperforms the state-of-the-art models on 68 NLP datasets.

cs.CL↗