Zaixiang Zheng

Jiasheng Ye, Zaixiang Zheng, Yu Bao et al.

The recent surge of generative AI has been fueled by the generative power of diffusion probabilistic models and the scalable capabilities of large language models. Despite their potential, it remains elusive whether diffusion language models can solve general language tasks comparable to their autoregressive counterparts. This paper demonstrates that scaling diffusion models w.r.t. data, sizes, and tasks can effectively make them strong language learners. We build competent diffusion language models at scale by first acquiring knowledge from massive data via masked language modeling pretraining thanks to their intrinsic connections. We then reprogram pretrained masked language models into diffusion language models via diffusive adaptation, wherein task-specific finetuning and instruction finetuning are explored to unlock their versatility in solving general language tasks. Experiments show that scaling diffusion language models consistently improves performance across downstream language tasks. We further discover that instruction finetuning can elicit zero-shot and few-shot in-context learning abilities that help tackle many unseen tasks by following natural language instructions, and show promise in advanced and challenging abilities such as reasoning.

Ruizhe Chen, Dongyu Xue, Xiangxin Zhou et al.

Proteins typically exist in complexes, interacting with other proteins or biomolecules to perform their specific biological roles. Research on single-chain protein modeling has been extensively and deeply explored, with advancements seen in models like the series of ESM and AlphaFold2. Despite these developments, the study and modeling of multi-chain proteins remain largely uncharted, though they are vital for understanding biological functions. Recognizing the importance of these interactions, we introduce APM (All-Atom Protein Generative Model), a model specifically designed for modeling multi-chain proteins. By integrating atom-level information and leveraging data on multi-chain proteins, APM is capable of precisely modeling inter-chain interactions and designing protein complexes with binding capabilities from scratch. It also performs folding and inverse-folding tasks for multi-chain proteins. Moreover, APM demonstrates versatility in downstream applications: it achieves enhanced performance through supervised fine-tuning (SFT) while also supporting zero-shot sampling in certain tasks, achieving state-of-the-art results. We released our code at https://github.com/bytedance/apm.

Jingjing Xu, Hao Zhou, Chun Gan et al.

The choice of token vocabulary affects the performance of machine translation. This paper aims to figure out what is a good vocabulary and whether one can find the optimal vocabulary without trial training. To answer these questions, we first provide an alternative understanding of the role of vocabulary from the perspective of information theory. Motivated by this, we formulate the quest of vocabularization -- finding the best token dictionary with a proper size -- as an optimal transport (OT) problem. We propose VOLT, a simple and efficient solution without trial training. Empirical results show that VOLT outperforms widely-used vocabularies in diverse scenarios, including WMT-14 English-German and TED's 52 translation directions. For example, VOLT achieves almost 70% vocabulary size reduction and 0.5 BLEU gain on English-German translation. Also, compared to BPE-search, VOLT reduces the search time from 384 GPU hours to 30 GPU hours on English-German translation. Codes are available at https://github.com/Jingjing-NLP/VOLT .

Peng Wu, Shujian Huang, Rongxiang Weng et al.

Relation detection is a core step in many natural language process applications including knowledge base question answering. Previous efforts show that single-fact questions could be answered with high accuracy. However, one critical problem is that current approaches only get high accuracy for questions whose relations have been seen in the training data. But for unseen relations, the performance will drop rapidly. The main reason for this problem is that the representations for unseen relations are missing. In this paper, we propose a simple mapping method, named representation adapter, to learn the representation mapping for both seen and unseen relations based on previously learned relation embedding. We employ the adversarial objective and the reconstruction objective to improve the mapping performance. We re-organize the popular SimpleQuestion dataset to reveal and evaluate the problem of detecting unseen relations. Experiments show that our method can greatly improve the performance of unseen relations while the performance for those seen part is kept comparable to the state-of-the-art. Our code and data are available at https://github.com/wudapeng268/KBQA-Adapter.

Xiangxin Zhou, Dongyu Xue, Ruizhe Chen et al.

Antibody design, a crucial task with significant implications across various disciplines such as therapeutics and biology, presents considerable challenges due to its intricate nature. In this paper, we tackle antigen-specific antibody sequence-structure co-design as an optimization problem towards specific preferences, considering both rationality and functionality. Leveraging a pre-trained conditional diffusion model that jointly models sequences and structures of antibodies with equivariant neural networks, we propose direct energy-based preference optimization to guide the generation of antibodies with both rational structures and considerable binding affinities to given antigens. Our method involves fine-tuning the pre-trained diffusion model using a residue-level decomposed energy preference. Additionally, we employ gradient surgery to address conflicts between various types of energy, such as attraction and repulsion. Experiments on RAbD benchmark show that our approach effectively optimizes the energy of generated antibodies and achieves state-of-the-art performance in designing high-quality antibodies with low total energy and high binding affinity simultaneously, demonstrating the superiority of our approach.

Cheng-Yen Hsieh, Xinyou Wang, Daiheng Zhang et al.

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models. Project page and code: https://bytedance.github.io/dplm/dplm-2.1/.

Chenyang Huang, Fei Huang, Zaixiang Zheng et al.

Multilingual neural machine translation (MNMT) aims at using one single model for multiple translation directions. Recent work applies non-autoregressive Transformers to improve the efficiency of MNMT, but requires expensive knowledge distillation (KD) processes. To this end, we propose an M-DAT approach to non-autoregressive multilingual machine translation. Our system leverages the recent advance of the directed acyclic Transformer (DAT), which does not require KD. We further propose a pivot back-translation (PivotBT) approach to improve the generalization to unseen translation directions. Experiments show that our M-DAT achieves state-of-the-art performance in non-autoregressive MNMT.

Lihua Qian, Yi Zhou, Zaixiang Zheng et al.

This paper describes the Volctrans' submission to the WMT21 news translation shared task for German->English translation. We build a parallel (i.e., non-autoregressive) translation system using the Glancing Transformer, which enables fast and accurate parallel decoding in contrast to the currently prevailing autoregressive models. To the best of our knowledge, this is the first parallel translation system that can be scaled to such a practical scenario like WMT competition. More importantly, our parallel translation system achieves the best BLEU score (35.0) on German->English translation task, outperforming all strong autoregressive counterparts.

Qu Cui, Shujian Huang, Jiahuan Li et al.

Machine Translation Quality Estimation (QE) is a task of predicting the quality of machine translations without relying on any reference. Recently, the predictor-estimator framework trains the predictor as a feature extractor, which leverages the extra parallel corpora without QE labels, achieving promising QE performance. However, we argue that there are gaps between the predictor and the estimator in both data quality and training objectives, which preclude QE models from benefiting from a large number of parallel corpora more directly. We propose a novel framework called DirectQE that provides a direct pretraining for QE tasks. In DirectQE, a generator is trained to produce pseudo data that is closer to the real QE data, and a detector is pretrained on these data with novel objectives that are akin to the QE task. Experiments on widely used benchmarks show that DirectQE outperforms existing methods, without using any pretraining models such as BERT. We also give extensive analyses showing how fixing the two gaps contributes to our improvements.

Zaixiang Zheng, Hao Zhou, Shujian Huang et al.

Sequence-to-sequence learning naturally has two directions. How to effectively utilize supervision signals from both directions? Existing approaches either require two separate models, or a multitask-learned model but with inferior performance. In this paper, we propose REDER (Reversible Duplex Transformer), a parameter-efficient model and apply it to machine translation. Either end of REDER can simultaneously input and output a distinct language. Thus REDER enables reversible machine translation by simply flipping the input and output ends. Experiments verify that REDER achieves the first success of reversible machine translation, which helps outperform its multitask-trained baselines by up to 1.3 BLEU.

Xuhui Zhou, Zaixiang Zheng, Shujian Huang

It is well-understood that different algorithms, training processes, and corpora produce different word embeddings. However, less is known about the relation between different embedding spaces, i.e. how far different sets of embeddings deviate from each other. In this paper, we propose a novel metric called Relative pairwise inner Product Distance (RPD) to quantify the distance between different sets of word embeddings. This metric has a unified scale for comparing different sets of word embeddings. Based on the properties of RPD, we study the relations of word embeddings of different algorithms systematically and investigate the influence of different training processes and corpora. The results shed light on the poorly understood word embeddings and justify RPD as a measure of the distance of embedding spaces.

Zaixiang Zheng, Xiang Yue, Shujian Huang et al.

Document-level machine translation manages to outperform sentence level models by a small margin, but have failed to be widely adopted. We argue that previous research did not make a clear use of the global context, and propose a new document-level NMT framework that deliberately models the local context of each sentence with the awareness of the global context of the document in both source and target languages. We specifically design the model to be able to deal with documents containing any number of sentences, including single sentences. This unified approach allows our model to be trained elegantly on standard datasets without needing to train on sentence and document level data separately. Experimental results demonstrate that our model outperforms Transformer baselines and previous document-level NMT models with substantial margins of up to 2.1 BLEU on state-of-the-art baselines. We also provide analyses which show the benefit of context far beyond the neighboring two or three sentences, which previous studies have typically incorporated.

Zhen Cheng, Zaixiang Zheng, Xin-Yu Dai et al.

Natural Language Inference (NLI) aims to determine the logic relationships (i.e., entailment, neutral and contradiction) between a pair of premise and hypothesis. Recently, the alignment mechanism effectively helps NLI by capturing the aligned parts (i.e., the similar segments) in the sentence pairs, which imply the perspective of entailment and contradiction. However, these aligned parts will sometimes mislead the judgment of neutral relations. Intuitively, NLI should rely more on multiple perspectives to form a holistic view to eliminate bias. In this paper, we propose the Multi-Perspective Inferrer (MPI), a novel NLI model that reasons relationships from multiple perspectives associated with the three relationships. The MPI determines the perspectives of different parts of the sentences via a routing-by-agreement policy and makes the final decision from a holistic view. Additionally, we introduce an auxiliary supervised signal to ensure the MPI to learn the expected perspectives. Experiments on SNLI and MultiNLI show that 1) the MPI achieves substantial improvements on the base model, which verifies the motivation of multi-perspective inference; 2) visualized evidence verifies that the MPI learns highly interpretable perspectives as expected; 3) more importantly, the MPI is architecture-free and compatible with the powerful BERT.

Zaixiang Zheng, Shujian Huang, Zhaopeng Tu et al.

Previous studies have shown that neural machine translation (NMT) models can benefit from explicitly modeling translated (Past) and untranslated (Future) to groups of translated and untranslated contents through parts-to-wholes assignment. The assignment is learned through a novel variant of routing-by-agreement mechanism (Sabour et al., 2017), namely {\em Guided Dynamic Routing}, where the translating status at each decoding step {\em guides} the routing process to assign each source word to its associated group (i.e., translated or untranslated content) represented by a capsule, enabling translation to be made from holistic context. Experiments show that our approach achieves substantial improvements over both RNMT and Transformer by producing more adequate translations. Extensive analysis demonstrates that our method is highly interpretable, which is able to recognize the translated and untranslated contents as expected.

Zaixiang Zheng, Shujian Huang, Zewei Sun et al.

Previous studies show that incorporating external information could improve the translation quality of Neural Machine Translation (NMT) systems. However, there are inevitably noises in the external information, severely reducing the benefit that the existing methods could receive from the incorporation. To tackle the problem, this study pays special attention to the discrimination of the noises during the incorporation. We argue that there exist two kinds of noise in this external information, i.e. global noise and local noise, which affect the translations for the whole sentence and for some specific words, respectively. Accordingly, we propose a general framework that learns to jointly discriminate both the global and local noises, so that the external information could be better leveraged. Our model is trained on the dataset derived from the original parallel corpus without any external labeled data or annotation. Experimental results in various real-world scenarios, language pairs, and neural architectures indicate that discriminating noises contributes to significant improvements in translation quality by being able to better incorporate the external information, even in very noisy conditions.

Zaixiang Zheng, Hao Zhou, Shujian Huang et al.

Existing neural machine translation systems do not explicitly model what has been translated and what has not during the decoding phase. To address this problem, we propose a novel mechanism that separates the source information into two parts: translated Past contents and untranslated Future contents, which are modeled by two additional recurrent layers. The Past and Future contents are fed to both the attention model and the decoder states, which offers NMT systems the knowledge of translated and untranslated contents. Experimental results show that the proposed approach significantly improves translation performance in Chinese-English, German-English and English-German translation tasks. Specifically, the proposed model outperforms the conventional coverage model in both of the translation quality and the alignment error rate.

Rongxiang Weng, Shujian Huang, Zaixiang Zheng et al.

In the encoder-decoder architecture for neural machine translation (NMT), the hidden states of the recurrent structures in the encoder and decoder carry the crucial information about the sentence.These vectors are generated by parameters which are updated by back-propagation of translation errors through time. We argue that propagating errors through the end-to-end recurrent structures are not a direct way of control the hidden vectors. In this paper, we propose to use word predictions as a mechanism for direct supervision. More specifically, we require these vectors to be able to predict the vocabulary in target sentence. Our simple mechanism ensures better representations in the encoder and decoder without using any extra data or annotation. It is also helpful in reducing the target side vocabulary and improving the decoding efficiency. Experiments on Chinese-English and German-English machine translation tasks show BLEU improvements by 4.53 and 1.3, respectively