Qiying Yu, Jieming Lou, Xianyuan Zhan et al. · tsinghua
Contrastive learning (CL) has recently been applied to adversarial learning tasks. Such practice considers adversarial samples as additional positive views of an instance, and by maximizing their agreements with each other, yields better adversarial robustness. However, this mechanism can be potentially flawed, since adversarial perturbations may cause instance-level identity confusion, which can impede CL performance by pulling together different instances with separate identities. To address this issue, we propose to treat adversarial samples unequally when contrasted, with an asymmetric InfoNCE objective ($A-InfoNCE$) that allows discriminating considerations of adversarial samples. Specifically, adversaries are viewed as inferior positives that induce weaker learning signals, or as hard negatives exhibiting higher contrast to other negative samples. In the asymmetric fashion, the adverse impacts of conflicting objectives between CL and adversarial learning can be effectively mitigated. Experiments show that our approach consistently outperforms existing Adversarial CL methods across different finetuning schemes without additional computational cost. The proposed A-InfoNCE is also a generic form that can be readily extended to other CL methods. Code is available at https://github.com/yqy2001/A-InfoNCE.
Vertical federated learning (VFL) enables multiple parties with disjoint features of a common user set to train a machine learning model without sharing their private data. Tree-based models have become prevalent in VFL due to their interpretability and efficiency. However, the vulnerability of tree-based VFL has not been sufficiently investigated. In this study, we first introduce a novel label inference attack, ID2Graph, which utilizes the sets of record IDs assigned to each node (i.e., instance space)to deduce private training labels. ID2Graph attack generates a graph structure from training samples, extracts communities from the graph, and clusters the local dataset using community information. To counteract label leakage from the instance space, we propose two effective defense mechanisms, Grafting-LDP, which improves the utility of label differential privacy with post-processing, and andID-LMID, which focuses on mutual information regularization. Comprehensive experiments on various datasets reveal that ID2Graph presents significant risks to tree-based models such as RandomForest and XGBoost. Further evaluations of these benchmarks demonstrate that our defense methods effectively mitigate label leakage in such instances
Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only work with a restricted search library in real-life applications. Recent supervised learning approaches using scoring functions for binding-affinity prediction, although promising, have not yet surpassed docking methods due to their strong dependency on limited data with reliable binding-affinity labels. In this paper, we propose a novel contrastive learning framework, DrugCLIP, by reformulating virtual screening as a dense retrieval task and employing contrastive learning to align representations of binding protein pockets and molecules from a large quantity of pairwise data without explicit binding-affinity scores. We also introduce a biological-knowledge inspired data augmentation strategy to learn better protein-molecule representations. Extensive experiments show that DrugCLIP significantly outperforms traditional docking and supervised learning methods on diverse virtual screening benchmarks with highly reduced computation time, especially in zero-shot setting.
Heavily overparameterized language models such as BERT, XLNet and T5 have achieved impressive success in many NLP tasks. However, their high model complexity requires enormous computation resources and extremely long training time for both pre-training and fine-tuning. Many works have studied model compression on large NLP models, but only focusing on reducing inference time while still requiring an expensive training process. Other works use extremely large batch sizes to shorten the pre-training time, at the expense of higher computational resource demands. In this paper, inspired by the Early-Bird Lottery Tickets recently studied for computer vision tasks, we propose EarlyBERT, a general computationally-efficient training algorithm applicable to both pre-training and fine-tuning of large-scale language models. By slimming the self-attention and fully-connected sub-layers inside a transformer, we are the first to identify structured winning tickets in the early stage of BERT training. We apply those tickets towards efficient BERT training, and conduct comprehensive pre-training and fine-tuning experiments on GLUE and SQuAD downstream tasks. Our results show that EarlyBERT achieves comparable performance to standard BERT, with 35~45% less training time. Code is available at https://github.com/VITA-Group/EarlyBERT.
Adversarial training, which minimizes the maximal risk for label-preserving input perturbations, has proved to be effective for improving the generalization of language models. In this work, we propose a novel adversarial training algorithm, FreeLB, that promotes higher invariance in the embedding space, by adding adversarial perturbations to word embeddings and minimizing the resultant adversarial risk inside different regions around input samples. To validate the effectiveness of the proposed approach, we apply it to Transformer-based models for natural language understanding and commonsense reasoning tasks. Experiments on the GLUE benchmark show that when applied only to the finetuning stage, it is able to improve the overall test scores of BERT-base model from 78.3 to 79.4, and RoBERTa-large model from 88.5 to 88.8. In addition, the proposed approach achieves state-of-the-art single-model test accuracies of 85.44\% and 67.75\% on ARC-Easy and ARC-Challenge. Experiments on CommonsenseQA benchmark further demonstrate that FreeLB can be generalized and boost the performance of RoBERTa-large model on other tasks as well. Code is available at \url{https://github.com/zhuchen03/FreeLB .
Joint image-text embedding is the bedrock for most Vision-and-Language (V+L) tasks, where multimodality inputs are simultaneously processed for joint visual and textual understanding. In this paper, we introduce UNITER, a UNiversal Image-TExt Representation, learned through large-scale pre-training over four image-text datasets (COCO, Visual Genome, Conceptual Captions, and SBU Captions), which can power heterogeneous downstream V+L tasks with joint multimodal embeddings. We design four pre-training tasks: Masked Language Modeling (MLM), Masked Region Modeling (MRM, with three variants), Image-Text Matching (ITM), and Word-Region Alignment (WRA). Different from previous work that applies joint random masking to both modalities, we use conditional masking on pre-training tasks (i.e., masked language/region modeling is conditioned on full observation of image/text). In addition to ITM for global image-text alignment, we also propose WRA via the use of Optimal Transport (OT) to explicitly encourage fine-grained alignment between words and image regions during pre-training. Comprehensive analysis shows that both conditional masking and OT-based WRA contribute to better pre-training. We also conduct a thorough ablation study to find an optimal combination of pre-training tasks. Extensive experiments show that UNITER achieves new state of the art across six V+L tasks (over nine datasets), including Visual Question Answering, Image-Text Retrieval, Referring Expression Comprehension, Visual Commonsense Reasoning, Visual Entailment, and NLVR$^2$. Code is available at https://github.com/ChenRocks/UNITER.
Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the multi-modality and noise-sensitive nature of molecule geometry. This work introduces Geometric Bayesian Flow Networks (GeoBFN), which naturally fits molecule geometry by modeling diverse modalities in the differentiable parameter space of distributions. GeoBFN maintains the SE-(3) invariant density modeling property by incorporating equivariant inter-dependency modeling on parameters of distributions and unifying the probabilistic modeling of different modalities. Through optimized training and sampling techniques, we demonstrate that GeoBFN achieves state-of-the-art performance on multiple 3D molecule generation benchmarks in terms of generation quality (90.87% molecule stability in QM9 and 85.6% atom stability in GEOM-DRUG. GeoBFN can also conduct sampling with any number of steps to reach an optimal trade-off between efficiency and quality (e.g., 20-times speedup without sacrificing performance).
In this paper, we propose Cross-Thought, a novel approach to pre-training sequence encoder, which is instrumental in building reusable sequence embeddings for large-scale NLP tasks such as question answering. Instead of using the original signals of full sentences, we train a Transformer-based sequence encoder over a large set of short sequences, which allows the model to automatically select the most useful information for predicting masked words. Experiments on question answering and textual entailment tasks demonstrate that our pre-trained encoder can outperform state-of-the-art encoders trained with continuous sentence signals as well as traditional masked language modeling baselines. Our proposed approach also achieves new state of the art on HotpotQA (full-wiki setting) by improving intermediate information retrieval performance.
Natural language often exhibits inherent hierarchical structure ingrained with complex syntax and semantics. However, most state-of-the-art deep generative models learn embeddings only in Euclidean vector space, without accounting for this structural property of language. In this paper, we investigate text generation in a hyperbolic latent space to learn continuous hierarchical representations. An Adversarial Poincare Variational Autoencoder (APo-VAE) is presented, where both the prior and variational posterior of latent variables are defined over a Poincare ball via wrapped normal distributions. By adopting the primal-dual formulation of KL divergence, an adversarial learning procedure is introduced to empower robust model training. Extensive experiments in language modeling and dialog-response generation tasks demonstrate the winning effectiveness of the proposed APo-VAE model over VAEs in Euclidean latent space, thanks to its superb capabilities in capturing latent language hierarchies in hyperbolic space.
In this paper, we present Hierarchical Graph Network (HGN) for multi-hop question answering. To aggregate clues from scattered texts across multiple paragraphs, a hierarchical graph is created by constructing nodes on different levels of granularity (questions, paragraphs, sentences, entities), the representations of which are initialized with pre-trained contextual encoders. Given this hierarchical graph, the initial node representations are updated through graph propagation, and multi-hop reasoning is performed via traversing through the graph edges for each subsequent sub-task (e.g., paragraph selection, supporting facts extraction, answer prediction). By weaving heterogeneous nodes into an integral unified graph, this hierarchical differentiation of node granularity enables HGN to support different question answering sub-tasks simultaneously. Experiments on the HotpotQA benchmark demonstrate that the proposed model achieves new state of the art, outperforming existing multi-hop QA approaches.
We present a large, tunable neural conversational response generation model, DialoGPT (dialogue generative pre-trained transformer). Trained on 147M conversation-like exchanges extracted from Reddit comment chains over a period spanning from 2005 through 2017, DialoGPT extends the Hugging Face PyTorch transformer to attain a performance close to human both in terms of automatic and human evaluation in single-turn dialogue settings. We show that conversational systems that leverage DialoGPT generate more relevant, contentful and context-consistent responses than strong baseline systems. The pre-trained model and training pipeline are publicly released to facilitate research into neural response generation and the development of more intelligent open-domain dialogue systems.
In this paper, we focus on unsupervised domain adaptation for Machine Reading Comprehension (MRC), where the source domain has a large amount of labeled data, while only unlabeled passages are available in the target domain. To this end, we propose an Adversarial Domain Adaptation framework (AdaMRC), where ($i$) pseudo questions are first generated for unlabeled passages in the target domain, and then ($ii$) a domain classifier is incorporated into an MRC model to predict which domain a given passage-question pair comes from. The classifier and the passage-question encoder are jointly trained using adversarial learning to enforce domain-invariant representation learning. Comprehensive evaluations demonstrate that our approach ($i$) is generalizable to different MRC models and datasets, ($ii$) can be combined with pre-trained large-scale language models (such as ELMo and BERT), and ($iii$) can be extended to semi-supervised learning.
We present the Frontier Aware Search with backTracking (FAST) Navigator, a general framework for action decoding, that achieves state-of-the-art results on the Room-to-Room (R2R) Vision-and-Language navigation challenge of Anderson et. al. (2018). Given a natural language instruction and photo-realistic image views of a previously unseen environment, the agent was tasked with navigating from source to target location as quickly as possible. While all current approaches make local action decisions or score entire trajectories using beam search, ours balances local and global signals when exploring an unobserved environment. Importantly, this lets us act greedily but use global signals to backtrack when necessary. Applying FAST framework to existing state-of-the-art models achieved a 17% relative gain, an absolute 6% gain on Success rate weighted by Path Length (SPL).
To protect image contents, most existing encryption algorithms are designed to transform an original image into a texture-like or noise-like image, which is, however, an obvious visual sign indicating the presence of an encrypted image, results in a significantly large number of attacks. To solve this problem, in this paper, we propose a new image encryption method to generate a visually same image as the original one by sending a meaning-normal and independent image to a corresponding well-trained generative model to achieve the effect of disguising the original image. This image disguise method not only solves the problem of obvious visual implication, but also guarantees the security of the information.