UltraFeedback: Boosting Language Models with Scaled AI FeedbackGanqu Cui, Lifan Yuan, Ning Ding et al. · tencent-ai
Learning from human feedback has become a pivot technique in aligning large language models (LLMs) with human preferences. However, acquiring vast and premium human feedback is bottlenecked by time, labor, and human capability, resulting in small sizes or limited topics of current datasets. This further hinders feedback learning as well as alignment research within the open-source community. To address this issue, we explore how to go beyond human feedback and collect high-quality \textit{AI feedback} automatically for a scalable alternative. Specifically, we identify \textbf{scale and diversity} as the key factors for feedback data to take effect. Accordingly, we first broaden instructions and responses in both amount and breadth to encompass a wider range of user-assistant interactions. Then, we meticulously apply a series of techniques to mitigate annotation biases for more reliable AI feedback. We finally present \textsc{UltraFeedback}, a large-scale, high-quality, and diversified AI feedback dataset, which contains over 1 million GPT-4 feedback for 250k user-assistant conversations from various aspects. Built upon \textsc{UltraFeedback}, we align a LLaMA-based model by best-of-$n$ sampling and reinforcement learning, demonstrating its exceptional performance on chat benchmarks. Our work validates the effectiveness of scaled AI feedback data in constructing strong open-source chat language models, serving as a solid foundation for future feedback learning research. Our data and models are available at https://github.com/thunlp/UltraFeedback.
Localized Adversarial Domain GeneralizationWei Zhu, Le Lu, Jing Xiao et al.
Deep learning methods can struggle to handle domain shifts not seen in training data, which can cause them to not generalize well to unseen domains. This has led to research attention on domain generalization (DG), which aims to the model's generalization ability to out-of-distribution. Adversarial domain generalization is a popular approach to DG, but conventional approaches (1) struggle to sufficiently align features so that local neighborhoods are mixed across domains; and (2) can suffer from feature space over collapse which can threaten generalization performance. To address these limitations, we propose localized adversarial domain generalization with space compactness maintenance~(LADG) which constitutes two major contributions. First, we propose an adversarial localized classifier as the domain discriminator, along with a principled primary branch. This constructs a min-max game whereby the aim of the featurizer is to produce locally mixed domains. Second, we propose to use a coding-rate loss to alleviate feature space over collapse. We conduct comprehensive experiments on the Wilds DG benchmark to validate our approach, where LADG outperforms leading competitors on most datasets.
A Simple Hash-Based Early Exiting Approach For Language Understanding and GenerationTianxiang Sun, Xiangyang Liu, Wei Zhu et al.
Early exiting allows instances to exit at different layers according to the estimation of difficulty. Previous works usually adopt heuristic metrics such as the entropy of internal outputs to measure instance difficulty, which suffers from generalization and threshold-tuning. In contrast, learning to exit, or learning to predict instance difficulty is a more appealing way. Though some effort has been devoted to employing such "learn-to-exit" modules, it is still unknown whether and how well the instance difficulty can be learned. As a response, we first conduct experiments on the learnability of instance difficulty, which demonstrates that modern neural models perform poorly on predicting instance difficulty. Based on this observation, we propose a simple-yet-effective Hash-based Early Exiting approach (HashEE) that replaces the learn-to-exit modules with hash functions to assign each token to a fixed exiting layer. Different from previous methods, HashEE requires no internal classifiers nor extra parameters, and therefore is more efficient. Experimental results on classification, regression, and generation tasks demonstrate that HashEE can achieve higher performance with fewer FLOPs and inference time compared with previous state-of-the-art early exiting methods.
5.9CVMar 15, 2023
SegPrompt: Using Segmentation Map as a Better Prompt to Finetune Deep Models for Kidney Stone ClassificationWei Zhu, Runtao Zhou, Yao Yuan et al.
Recently, deep learning has produced encouraging results for kidney stone classification using endoscope images. However, the shortage of annotated training data poses a severe problem in improving the performance and generalization ability of the trained model. It is thus crucial to fully exploit the limited data at hand. In this paper, we propose SegPrompt to alleviate the data shortage problems by exploiting segmentation maps from two aspects. First, SegPrompt integrates segmentation maps to facilitate classification training so that the classification model is aware of the regions of interest. The proposed method allows the image and segmentation tokens to interact with each other to fully utilize the segmentation map information. Second, we use the segmentation maps as prompts to tune the pretrained deep model, resulting in much fewer trainable parameters than vanilla finetuning. We perform extensive experiments on the collected kidney stone dataset. The results show that SegPrompt can achieve an advantageous balance between the model fitting ability and the generalization ability, eventually leading to an effective model with limited training data.
4.6LGMay 9, 2022
Deep Federated Anomaly Detection for Multivariate Time Series DataWei Zhu, Dongjin Song, Yuncong Chen et al.
Despite the fact that many anomaly detection approaches have been developed for multivariate time series data, limited effort has been made on federated settings in which multivariate time series data are heterogeneously distributed among different edge devices while data sharing is prohibited. In this paper, we investigate the problem of federated unsupervised anomaly detection and present a Federated Exemplar-based Deep Neural Network (Fed-ExDNN) to conduct anomaly detection for multivariate time series data on different edge devices. Specifically, we first design an Exemplar-based Deep Neural network (ExDNN) to learn local time series representations based on their compatibility with an exemplar module which consists of hidden parameters learned to capture varieties of normal patterns on each edge device. Next, a constrained clustering mechanism (FedCC) is employed on the centralized server to align and aggregate the parameters of different local exemplar modules to obtain a unified global exemplar module. Finally, the global exemplar module is deployed together with a shared feature encoder to each edge device and anomaly detection is conducted by examining the compatibility of testing data to the exemplar module. Fed-ExDNN captures local normal time series patterns with ExDNN and aggregates these patterns by FedCC, and thus can handle the heterogeneous data distributed over different edge devices simultaneously. Thoroughly empirical studies on six public datasets show that ExDNN and Fed-ExDNN can outperform state-of-the-art anomaly detection algorithms and federated learning techniques.
1.8LGJul 26, 2022
Remote Medication Status Prediction for Individuals with Parkinson's Disease using Time-series Data from SmartphonesWeijian Li, Wei Zhu, E. Ray Dorsey et al.
Medication for neurological diseases such as the Parkinson's disease usually happens remotely away from hospitals. Such out-of-lab environments pose challenges in collecting timely and accurate health status data. Individual differences in behavioral signals collected from wearable sensors also lead to difficulties in adopting current general machine learning analysis pipelines. To address these challenges, we present a method for predicting the medication status of Parkinson's disease patients using the public mPower dataset, which contains 62,182 remote multi-modal test records collected on smartphones from 487 patients. The proposed method shows promising results in predicting three medication statuses objectively: Before Medication (AUC=0.95), After Medication (AUC=0.958), and Another Time (AUC=0.976) by examining patient-wise historical records with the attention weights learned through a Transformer model. Our method provides an innovative way for personalized remote health sensing in a timely and objective fashion which could benefit a broad range of similar applications.
Candidate Soups: Fusing Candidate Results Improves Translation Quality for Non-Autoregressive TranslationHuanran Zheng, Wei Zhu, Pengfei Wang et al.
Non-autoregressive translation (NAT) model achieves a much faster inference speed than the autoregressive translation (AT) model because it can simultaneously predict all tokens during inference. However, its translation quality suffers from degradation compared to AT. And existing NAT methods only focus on improving the NAT model's performance but do not fully utilize it. In this paper, we propose a simple but effective method called "Candidate Soups," which can obtain high-quality translations while maintaining the inference speed of NAT models. Unlike previous approaches that pick the individual result and discard the remainders, Candidate Soups (CDS) can fully use the valuable information in the different candidate translations through model uncertainty. Extensive experiments on two benchmarks (WMT'14 EN-DE and WMT'16 EN-RO) demonstrate the effectiveness and generality of our proposed method, which can significantly improve the translation quality of various base models. More notably, our best variant outperforms the AT model on three translation tasks with 7.6 times speedup.
Continuous Detection, Rapidly React: Unseen Rumors Detection based on Continual Prompt-TuningYuhui Zuo, Wei Zhu, Guoyong Cai
Since open social platforms allow for a large and continuous flow of unverified information, rumors can emerge unexpectedly and spread quickly. However, existing rumor detection (RD) models often assume the same training and testing distributions and can not cope with the continuously changing social network environment. This paper proposed a Continual Prompt-Tuning RD (CPT-RD) framework, which avoids catastrophic forgetting (CF) of upstream tasks during sequential task learning and enables bidirectional knowledge transfer between domain tasks. Specifically, we propose the following strategies: (a) Our design explicitly decouples shared and domain-specific knowledge, thus reducing the interference among different domains during optimization; (b) Several technologies aim to transfer knowledge of upstream tasks to deal with emergencies; (c) A task-conditioned prompt-wise hypernetwork (TPHNet) is used to consolidate past domains. In addition, CPT-RD avoids CF without the necessity of a rehearsal buffer.
PromptCBLUE: A Chinese Prompt Tuning Benchmark for the Medical DomainWei Zhu, Xiaoling Wang, Huanran Zheng et al.
Biomedical language understanding benchmarks are the driving forces for artificial intelligence applications with large language model (LLM) back-ends. However, most current benchmarks: (a) are limited to English which makes it challenging to replicate many of the successes in English for other languages, or (b) focus on knowledge probing of LLMs and neglect to evaluate how LLMs apply these knowledge to perform on a wide range of bio-medical tasks, or (c) have become a publicly available corpus and are leaked to LLMs during pre-training. To facilitate the research in medical LLMs, we re-build the Chinese Biomedical Language Understanding Evaluation (CBLUE) benchmark into a large scale prompt-tuning benchmark, PromptCBLUE. Our benchmark is a suitable test-bed and an online platform for evaluating Chinese LLMs' multi-task capabilities on a wide range bio-medical tasks including medical entity recognition, medical text classification, medical natural language inference, medical dialogue understanding and medical content/dialogue generation. To establish evaluation on these tasks, we have experimented and report the results with the current 9 Chinese LLMs fine-tuned with differtent fine-tuning techniques.
Explored An Effective Methodology for Fine-Grained Snake RecognitionYong Huang, Aderon Huang, Wei Zhu et al.
Fine-Grained Visual Classification (FGVC) is a longstanding and fundamental problem in computer vision and pattern recognition, and underpins a diverse set of real-world applications. This paper describes our contribution at SnakeCLEF2022 with FGVC. Firstly, we design a strong multimodal backbone to utilize various meta-information to assist in fine-grained identification. Secondly, we provide new loss functions to solve the long tail distribution with dataset. Then, in order to take full advantage of unlabeled datasets, we use self-supervised learning and supervised learning joint training to provide pre-trained model. Moreover, some effective data process tricks also are considered in our experiments. Last but not least, fine-tuned in downstream task with hard mining, ensambled kinds of model performance. Extensive experiments demonstrate that our method can effectively improve the performance of fine-grained recognition. Our method can achieve a macro f1 score 92.7% and 89.4% on private and public dataset, respectively, which is the 1st place among the participators on private leaderboard.
Overview of the PromptCBLUE Shared Task in CHIP2023Wei Zhu, Xiaoling Wang, Mosha Chen et al.
This paper presents an overview of the PromptCBLUE shared task (http://cips-chip.org.cn/2023/eval1) held in the CHIP-2023 Conference. This shared task reformualtes the CBLUE benchmark, and provide a good testbed for Chinese open-domain or medical-domain large language models (LLMs) in general medical natural language processing. Two different tracks are held: (a) prompt tuning track, investigating the multitask prompt tuning of LLMs, (b) probing the in-context learning capabilities of open-sourced LLMs. Many teams from both the industry and academia participated in the shared tasks, and the top teams achieved amazing test results. This paper describes the tasks, the datasets, evaluation metrics, and the top systems for both tasks. Finally, the paper summarizes the techniques and results of the evaluation of the various approaches explored by the participating teams.
Text2MDT: Extracting Medical Decision Trees from Medical TextsWei Zhu, Wenfeng Li, Xing Tian et al.
Knowledge of the medical decision process, which can be modeled as medical decision trees (MDTs), is critical to build clinical decision support systems. However, the current MDT construction methods rely heavily on time-consuming and laborious manual annotation. In this work, we propose a novel task, Text2MDT, to explore the automatic extraction of MDTs from medical texts such as medical guidelines and textbooks. We normalize the form of the MDT and create an annotated Text-to-MDT dataset in Chinese with the participation of medical experts. We investigate two different methods for the Text2MDT tasks: (a) an end-to-end framework which only relies on a GPT style large language models (LLM) instruction tuning to generate all the node information and tree structures. (b) The pipeline framework which decomposes the Text2MDT task to three subtasks. Experiments on our Text2MDT dataset demonstrate that: (a) the end-to-end method basd on LLMs (7B parameters or larger) show promising results, and successfully outperform the pipeline methods. (b) The chain-of-thought (COT) prompting method \cite{Wei2022ChainOT} can improve the performance of the fine-tuned LLMs on the Text2MDT test set. (c) the lightweight pipelined method based on encoder-based pretrained models can perform comparably with LLMs with model complexity two magnititudes smaller. Our Text2MDT dataset is open-sourced at \url{https://tianchi.aliyun.com/dataset/95414}, and the source codes are open-sourced at \url{https://github.com/michael-wzhu/text2dt}.
8.8LGMar 7, 2023
On the Implicit Bias of Linear Equivariant Steerable NetworksZiyu Chen, Wei Zhu
We study the implicit bias of gradient flow on linear equivariant steerable networks in group-invariant binary classification. Our findings reveal that the parameterized predictor converges in direction to the unique group-invariant classifier with a maximum margin defined by the input group action. Under a unitary assumption on the input representation, we establish the equivalence between steerable networks and data augmentation. Furthermore, we demonstrate the improved margin and generalization bound of steerable networks over their non-invariant counterparts.
9.6CLFeb 19, 2025
Adapting Large Language Models for Time Series Modeling via a Novel Parameter-efficient Adaptation MethodJuyuan Zhang, Wei Zhu, Jiechao Gao
Time series modeling holds significant importance in many real-world applications and has been extensively studied. While pre-trained foundation models have made impressive strides in the fields of natural language processing (NLP) and computer vision (CV), their development in time series domains has been constrained by data sparsity. A series of recent studies have demonstrated that large language models (LLMs) possess robust pattern recognition and reasoning abilities over complex sequences of tokens. However, the current literature have yet striked a high-quality balance between (a) effectively aligning the time series and natural language modalities, and (b) keeping the inference efficiency. To address the above issues, we now propose the Time-LlaMA framework. Time-LlaMA first converts the time series input into token embeddings through a linear tokenization mechanism. Second, the time series token embeddings are aligned with the text prompts. Third, to further adapt the LLM backbone for time series modeling, we have developed a dynamic low-rank adaptation technique (D-LoRA). D-LoRA dynamically chooses the most suitable LoRA modules at each layer of the Transformer backbone for each time series input, enhancing the model's predictive capabilities. Our experimental results on an extensive collection of challenging real-world time series tasks confirm that our proposed method achieves the state-of-the-art (SOTA) performance.
9.4LGMar 21, 2025
TRACE: Time SeRies PArameter EffiCient FinE-tuningYuze Li, Wei Zhu
We propose an efficient fine-tuning method for time series foundation models, termed TRACE: Time Series Parameter Efficient Fine-tuning. While pretrained time series foundation models are gaining popularity, they face the following challenges: (1) Unlike natural language tasks, time series data vary in frequency, channel numbers, historical/prediction lengths. For long-term forecasting tasks in particular, tailored fine-tuning can significantly enhance performance.(2) Existing parameter-efficient tuning methods like LoRA remain applicable but require adaptation to temporal characteristics. To address these challenges, our TRACE framework introduces two key innovations: (1) Gated DSIC (Gated Dynamic Simulation Importance Calculation), an unbiased LoRA module importance selection mechanism that ensures conditional parameter consistency before and after masking. Experiments demonstrate that Gated DSIC outperforms common fine-tuning. (2) Reconstructed prediction heads for long-term forecasting tasks, which achieve comparable or superior performance to linear probing heads while drastically reducing parameter counts. Extensive experiments on long-/short-term forecasting, anomaly detection and natural language tasks across diverse datasets, coupled with ablation studies, validate the effectiveness of our method.
7.7CLJun 3, 2024
TCMBench: A Comprehensive Benchmark for Evaluating Large Language Models in Traditional Chinese MedicineWenjing Yue, Xiaoling Wang, Wei Zhu et al.
Large language models (LLMs) have performed remarkably well in various natural language processing tasks by benchmarking, including in the Western medical domain. However, the professional evaluation benchmarks for LLMs have yet to be covered in the traditional Chinese medicine(TCM) domain, which has a profound history and vast influence. To address this research gap, we introduce TCM-Bench, an comprehensive benchmark for evaluating LLM performance in TCM. It comprises the TCM-ED dataset, consisting of 5,473 questions sourced from the TCM Licensing Exam (TCMLE), including 1,300 questions with authoritative analysis. It covers the core components of TCMLE, including TCM basis and clinical practice. To evaluate LLMs beyond accuracy of question answering, we propose TCMScore, a metric tailored for evaluating the quality of answers generated by LLMs for TCM related questions. It comprehensively considers the consistency of TCM semantics and knowledge. After conducting comprehensive experimental analyses from diverse perspectives, we can obtain the following findings: (1) The unsatisfactory performance of LLMs on this benchmark underscores their significant room for improvement in TCM. (2) Introducing domain knowledge can enhance LLMs' performance. However, for in-domain models like ZhongJing-TCM, the quality of generated analysis text has decreased, and we hypothesize that their fine-tuning process affects the basic LLM capabilities. (3) Traditional metrics for text generation quality like Rouge and BertScore are susceptible to text length and surface semantic ambiguity, while domain-specific metrics such as TCMScore can further supplement and explain their evaluation results. These findings highlight the capabilities and limitations of LLMs in the TCM and aim to provide a more profound assistance to medical research.
Efficient Multi-domain Text Recognition Deep Neural Network Parameterization with Residual AdaptersJiayou Chao, Wei Zhu
Recent advancements in deep neural networks have markedly enhanced the performance of computer vision tasks, yet the specialized nature of these networks often necessitates extensive data and high computational power. Addressing these requirements, this study presents a novel neural network model adept at optical character recognition (OCR) across diverse domains, leveraging the strengths of multi-task learning to improve efficiency and generalization. The model is designed to achieve rapid adaptation to new domains, maintain a compact size conducive to reduced computational resource demand, ensure high accuracy, retain knowledge from previous learning experiences, and allow for domain-specific performance improvements without the need to retrain entirely. Rigorous evaluation on open datasets has validated the model's ability to significantly lower the number of trainable parameters without sacrificing performance, indicating its potential as a scalable and adaptable solution in the field of computer vision, particularly for applications in optical text recognition.
8.6MLMay 22, 2023
Statistical Guarantees of Group-Invariant GANsZiyu Chen, Markos A. Katsoulakis, Luc Rey-Bellet et al.
This work presents the first statistical performance guarantees for group-invariant generative models. Many real data, such as images and molecules, are invariant to certain group symmetries, which can be taken advantage of to learn more efficiently as we rigorously demonstrate in this work. Here we specifically study generative adversarial networks (GANs), and quantify the gains when incorporating symmetries into the model. Group-invariant GANs are a type of GANs in which the generators and discriminators are hardwired with group symmetries. Empirical studies have shown that these networks are capable of learning group-invariant distributions with significantly improved data efficiency. In this study, we aim to rigorously quantify this improvement by analyzing the reduction in sample complexity and in the discriminator approximation error for group-invariant GANs. Our findings indicate that when learning group-invariant distributions, the number of samples required for group-invariant GANs decreases proportionally by a factor of the group size and the discriminator approximation error has a reduced lower bound. Importantly, the overall error reduction cannot be achieved merely through data augmentation on the training data. Numerical results substantiate our theory and highlight the stark contrast between learning with group-invariant GANs and using data augmentation. This work also sheds light on the study of other generative models with group symmetries, such as score-based generative models.
7.1CLMay 21, 2023
F-PABEE: Flexible-patience-based Early Exiting for Single-label and Multi-label text Classification TasksXiangxiang Gao, Wei Zhu, Jiasheng Gao et al.
Computational complexity and overthinking problems have become the bottlenecks for pre-training language models (PLMs) with millions or even trillions of parameters. A Flexible-Patience-Based Early Exiting method (F-PABEE) has been proposed to alleviate the problems mentioned above for single-label classification (SLC) and multi-label classification (MLC) tasks. F-PABEE makes predictions at the classifier and will exit early if predicted distributions of cross-layer are consecutively similar. It is more flexible than the previous state-of-the-art (SOTA) early exiting method PABEE because it can simultaneously adjust the similarity score thresholds and the patience parameters. Extensive experiments show that: (1) F-PABEE makes a better speedup-accuracy balance than existing early exiting strategies on both SLC and MLC tasks. (2) F-PABEE achieves faster inference and better performances on different PLMs such as BERT and ALBERT. (3) F-PABEE-JSKD performs best for F-PABEE with different similarity measures.
Unified Demonstration Retriever for In-Context LearningXiaonan Li, Kai Lv, Hang Yan et al.
In-context learning is a new learning paradigm where a language model conditions on a few input-output pairs (demonstrations) and a test input, and directly outputs the prediction. It has been shown highly dependent on the provided demonstrations and thus promotes the research of demonstration retrieval: given a test input, relevant examples are retrieved from the training set to serve as informative demonstrations for in-context learning. While previous works focus on training task-specific retrievers for several tasks separately, these methods are often hard to transfer and scale on various tasks, and separately trained retrievers incur a lot of parameter storage and deployment cost. In this paper, we propose Unified Demonstration Retriever (\textbf{UDR}), a single model to retrieve demonstrations for a wide range of tasks. To train UDR, we cast various tasks' training signals into a unified list-wise ranking formulation by language model's feedback. Then we propose a multi-task list-wise ranking training framework, with an iterative mining strategy to find high-quality candidates, which can help UDR fully incorporate various tasks' signals. Experiments on 30+ tasks across 13 task families and multiple data domains show that UDR significantly outperforms baselines. Further analyses show the effectiveness of each proposed component and UDR's strong ability in various scenarios including different LMs (1.3B - 175B), unseen datasets, varying demonstration quantities, etc.
11.1LGFeb 2, 2022
Structure-preserving GANsJeremiah Birrell, Markos A. Katsoulakis, Luc Rey-Bellet et al.
Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the sigma-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fréchet Inception Distance -- especially in the small data regime.
2.3BMJan 21, 2022
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule InhibitorFeng Ren, Xiao Ding, Min Zheng et al.
The AlphaFold computer program predicted protein structures for the whole human genome, which has been considered as a remarkable breakthrough both in artificial intelligence (AI) application and structural biology. Despite the varying confidence level, these predicted structures still could significantly contribute to structure-based drug design of novel targets, especially the ones with no or limited structural information. In this work, we successfully applied AlphaFold in our end-to-end AI-powered drug discovery engines constituted of a biocomputational platform PandaOmics and a generative chemistry platform Chemistry42, to identify a first-in-class hit molecule of a novel target without an experimental structure starting from target selection towards hit identification in a cost- and time-efficient manner. PandaOmics provided the targets of interest and Chemistry42 generated the molecules based on the AlphaFold predicted structure, and the selected molecules were synthesized and tested in biological assays. Through this approach, we identified a small molecule hit compound for CDK20 with a Kd value of 8.9 +/- 1.6 uM (n = 4) within 30 days from target selection and after only synthesizing 7 compounds. Based on the available data, the second round of AI-powered compound generation was conducted and through which, a more potent hit molecule, ISM042-2 048, was discovered with a Kd value of 210.0 +/- 42.4 nM (n = 2), within 30 days and after synthesizing 6 compounds from the discovery of the first hit ISM042-2-001. To the best of our knowledge, this is the first reported small molecule targeting CDK20 and more importantly, this work is the first demonstration of AlphaFold application in the hit identification process in early drug discovery.
12.5LGSep 15, 2021
Federated Learning of Molecular Properties with Graph Neural Networks in a Heterogeneous SettingWei Zhu, Jiebo Luo, Andrew White
Chemistry research has both high material and computational costs to conduct experiments. Institutions thus consider chemical data to be valuable and there have been few efforts to construct large public datasets for machine learning. Another challenge is that different intuitions are interested in different classes of molecules, creating heterogeneous data that cannot be easily joined by conventional distributed training. In this work, we introduce federated heterogeneous molecular learning to address these challenges. Federated learning allows end-users to build a global model collaboratively while keeping the training data distributed over isolated clients. Due to the lack of related research, we first simulate a heterogeneous federated learning benchmark (FedChem) by jointly performing scaffold splitting and latent Dirichlet allocation on existing datasets for heterogeneously distributed client data. Our results on FedChem show that significant learning challenges arise when working with heterogeneous molecules across clients. We then propose a method to alleviate the problem, namely Federated Learning by Instance reweighTing (FLIT(+)). FLIT(+) can align the local training across heterogeneous clients by improving the performance for uncertain samples. Comprehensive experiments conducted on our new benchmark FedChem validate the advantages of this method over other federated learning schemes. FedChem should enable a new type of collaboration for improving AI in chemistry that mitigates concerns about valuable chemical data.
0.5CLJan 2, 2021
Lex-BERT: Enhancing BERT based NER with lexiconsWei Zhu, Daniel Cheung
In this work, we represent Lex-BERT, which incorporates the lexicon information into Chinese BERT for named entity recognition (NER) tasks in a natural manner. Instead of using word embeddings and a newly designed transformer layer as in FLAT, we identify the boundary of words in the sentences using special tokens, and the modified sentence will be encoded directly by BERT. Our model does not introduce any new parameters and are more efficient than FLAT. In addition, we do not require any word embeddings accompanying the lexicon collection. Experiments on Ontonotes and ZhCrossNER show that our model outperforms FLAT and other baselines.
0.2CLDec 29, 2020
CMV-BERT: Contrastive multi-vocab pretraining of BERTWei Zhu, Daniel Cheung
In this work, we represent CMV-BERT, which improves the pretraining of a language model via two ingredients: (a) contrastive learning, which is well studied in the area of computer vision; (b) multiple vocabularies, one of which is fine-grained and the other is coarse-grained. The two methods both provide different views of an original sentence, and both are shown to be beneficial. Downstream tasks demonstrate our proposed CMV-BERT are effective in improving the pretrained language models.
0.7CLNov 17, 2020
MVP-BERT: Redesigning Vocabularies for Chinese BERT and Multi-Vocab PretrainingWei Zhu
Despite the development of pre-trained language models (PLMs) significantly raise the performances of various Chinese natural language processing (NLP) tasks, the vocabulary for these Chinese PLMs remain to be the one provided by Google Chinese Bert \cite{devlin2018bert}, which is based on Chinese characters. Second, the masked language model pre-training is based on a single vocabulary, which limits its downstream task performances. In this work, we first propose a novel method, \emph{seg\_tok}, to form the vocabulary of Chinese BERT, with the help of Chinese word segmentation (CWS) and subword tokenization. Then we propose three versions of multi-vocabulary pretraining (MVP) to improve the models expressiveness. Experiments show that: (a) compared with char based vocabulary, \emph{seg\_tok} does not only improves the performances of Chinese PLMs on sentence level tasks, it can also improve efficiency; (b) MVP improves PLMs' downstream performance, especially it can improve \emph{seg\_tok}'s performances on sequence labeling tasks.
27.7CLSep 22, 2020
AutoRC: Improving BERT Based Relation Classification Models via Architecture SearchWei Zhu, Xipeng Qiu, Yuan Ni et al.
Although BERT based relation classification (RC) models have achieved significant improvements over the traditional deep learning models, it seems that no consensus can be reached on what is the optimal architecture. Firstly, there are multiple alternatives for entity span identification. Second, there are a collection of pooling operations to aggregate the representations of entities and contexts into fixed length vectors. Third, it is difficult to manually decide which feature vectors, including their interactions, are beneficial for classifying the relation types. In this work, we design a comprehensive search space for BERT based RC models and employ neural architecture search (NAS) method to automatically discover the design choices mentioned above. Experiments on seven benchmark RC tasks show that our method is efficient and effective in finding better architectures than the baseline BERT based RC model. Ablation study demonstrates the necessity of our search space design and the effectiveness of our search method.
2.7CLSep 4, 2020
AutoTrans: Automating Transformer Design via Reinforced Architecture SearchWei Zhu, Xiaoling Wang, Xipeng Qiu et al.
Though the transformer architectures have shown dominance in many natural language understanding tasks, there are still unsolved issues for the training of transformer models, especially the need for a principled way of warm-up which has shown importance for stable training of a transformer, as well as whether the task at hand prefer to scale the attention product or not. In this paper, we empirically explore automating the design choices in the transformer model, i.e., how to set layer-norm, whether to scale, number of layers, number of heads, activation function, etc, so that one can obtain a transformer architecture that better suits the tasks at hand. RL is employed to navigate along search space, and special parameter sharing strategies are designed to accelerate the search. It is shown that sampling a proportion of training data per epoch during search help to improve the search quality. Experiments on the CoNLL03, Multi-30k, IWSLT14 and WMT-14 shows that the searched transformer model can outperform the standard transformers. In particular, we show that our learned model can be trained more robustly with large learning rates without warm-up.
6.5CVMay 25, 2020
Personalized Fashion Recommendation from Personal Social Media Data: An Item-to-Set Metric Learning ApproachHaitian Zheng, Kefei Wu, Jong-Hwi Park et al.
With the growth of online shopping for fashion products, accurate fashion recommendation has become a critical problem. Meanwhile, social networks provide an open and new data source for personalized fashion analysis. In this work, we study the problem of personalized fashion recommendation from social media data, i.e. recommending new outfits to social media users that fit their fashion preferences. To this end, we present an item-to-set metric learning framework that learns to compute the similarity between a set of historical fashion items of a user to a new fashion item. To extract features from multi-modal street-view fashion items, we propose an embedding module that performs multi-modality feature extraction and cross-modality gated fusion. To validate the effectiveness of our approach, we collect a real-world social media dataset. Extensive experiments on the collected dataset show the superior performance of our proposed approach.
Adversarial Defense via Data Dependent Activation Function and Total Variation MinimizationBao Wang, Alex T. Lin, Wei Zhu et al.
We improve the robustness of Deep Neural Net (DNN) to adversarial attacks by using an interpolating function as the output activation. This data-dependent activation remarkably improves both the generalization and robustness of DNN. In the CIFAR10 benchmark, we raise the robust accuracy of the adversarially trained ResNet20 from $\sim 46\%$ to $\sim 69\%$ under the state-of-the-art Iterative Fast Gradient Sign Method (IFGSM) based adversarial attack. When we combine this data-dependent activation with total variation minimization on adversarial images and training data augmentation, we achieve an improvement in robust accuracy by 38.9$\%$ for ResNet56 under the strongest IFGSM attack. Furthermore, We provide an intuitive explanation of our defense by analyzing the geometry of the feature space.
6.3CVMay 18, 2018
Stop memorizing: A data-dependent regularization framework for intrinsic pattern learningWei Zhu, Qiang Qiu, Bao Wang et al.
Deep neural networks (DNNs) typically have enough capacity to fit random data by brute force even when conventional data-dependent regularizations focusing on the geometry of the features are imposed. We find out that the reason for this is the inconsistency between the enforced geometry and the standard softmax cross entropy loss. To resolve this, we propose a new framework for data-dependent DNN regularization, the Geometrically-Regularized-Self-Validating neural Networks (GRSVNet). During training, the geometry enforced on one batch of features is simultaneously validated on a separate batch using a validation loss consistent with the geometry. We study a particular case of GRSVNet, the Orthogonal-Low-rank Embedding (OLE)-GRSVNet, which is capable of producing highly discriminative features residing in orthogonal low-rank subspaces. Numerical experiments show that OLE-GRSVNet outperforms DNNs with conventional regularization when trained on real data. More importantly, unlike conventional DNNs, OLE-GRSVNet refuses to memorize random data or random labels, suggesting it only learns intrinsic patterns by reducing the memorizing capacity of the baseline DNN.