Yuexin Wu

Tao Lei, Junwen Bai, Siddhartha Brahma et al. · deepmind

We propose Conditional Adapter (CoDA), a parameter-efficient transfer learning method that also improves inference efficiency. CoDA generalizes beyond standard adapter approaches to enable a new way of balancing speed and accuracy using conditional computation. Starting with an existing dense pretrained model, CoDA adds sparse activation together with a small number of new parameters and a light-weight training phase. Our experiments demonstrate that the CoDA approach provides an unexpectedly efficient way to transfer knowledge. Across a variety of language, vision, and speech tasks, CoDA achieves a 2x to 8x inference speed-up compared to the state-of-the-art Adapter approaches with moderate to no accuracy loss and the same parameter efficiency.

Le Hou, Richard Yuanzhe Pang, Tianyi Zhou et al. · uw

Transformer-based models generally allocate the same amount of computation for each token in a given sequence. We develop a simple but effective "token dropping" method to accelerate the pretraining of transformer models, such as BERT, without degrading its performance on downstream tasks. In short, we drop unimportant tokens starting from an intermediate layer in the model to make the model focus on important tokens; the dropped tokens are later picked up by the last layer of the model so that the model still produces full-length sequences. We leverage the already built-in masked language modeling (MLM) loss to identify unimportant tokens with practically no computational overhead. In our experiments, this simple approach reduces the pretraining cost of BERT by 25% while achieving similar overall fine-tuning performance on standard downstream tasks.

Jiaxin Huang, Shixiang Shane Gu, Le Hou et al.

Large Language Models (LLMs) have achieved excellent performances in various tasks. However, fine-tuning an LLM requires extensive supervision. Human, on the other hand, may improve their reasoning abilities by self-thinking without external inputs. In this work, we demonstrate that an LLM is also capable of self-improving with only unlabeled datasets. We use a pre-trained LLM to generate "high-confidence" rationale-augmented answers for unlabeled questions using Chain-of-Thought prompting and self-consistency, and fine-tune the LLM using those self-generated solutions as target outputs. We show that our approach improves the general reasoning ability of a 540B-parameter LLM (74.4%->82.1% on GSM8K, 78.2%->83.0% on DROP, 90.0%->94.4% on OpenBookQA, and 63.4%->67.9% on ANLI-A3) and achieves state-of-the-art-level performance, without any ground truth label. We conduct ablation studies and show that fine-tuning on reasoning is critical for self-improvement.

Ziqi Wang, Yuexin Wu, Frederick Liu et al.

Knowledge distillation is one of the primary methods of transferring knowledge from large to small models. However, it requires massive task-specific data, which may not be plausible in many real-world applications. Data augmentation methods such as representation interpolation, token replacement, or augmentation with models are applied to tackle this problem. However, these data augmentation methods either potentially cause shifts in decision boundaries (representation interpolation), are not expressive enough (token replacement), or introduce too much computational overhead (augmentation with models). To this end, we propose AugPro (Augmentation with Projection), an effective and efficient data augmentation method for distillation. Our method builds on top of representation interpolation augmentation methods to maintain the diversity of expressions and converts the augmented data to tokens to avoid shifting decision boundaries. It uses simple operations that come with little computational overhead. The results on multiple GLUE tasks show that our methods can improve distillation performance by a large margin at a low time cost. Codes are available at https://github.com/google-research/google-research/tree/master/augpro.

Yuexin Wu, Xiaolei Huang

Class imbalance naturally exists when train and test models in different domains. Unsupervised domain adaptation (UDA) augments model performance with only accessible annotations from the source domain and unlabeled data from the target domain. However, existing state-of-the-art UDA models learn domain-invariant representations and evaluate primarily on class-balanced data across domains. In this work, we propose an unsupervised domain adaptation approach via reinforcement learning that jointly leverages feature variants and imbalanced labels across domains. We experiment with the text classification task for its easily accessible datasets and compare the proposed method with five baselines. Experiments on three datasets prove that our proposed method can effectively learn robust domain-invariant representations and successfully adapt text classifiers on imbalanced classes over domains. The code is available at https://github.com/woqingdoua/ImbalanceClass.

Yuexin Wu, I-Chan Huang, Xiaolei Huang

Imbalanced token distributions naturally exist in text documents, leading neural language models to overfit on frequent tokens. The token imbalance may dampen the robustness of radiology report generators, as complex medical terms appear less frequently but reflect more medical information. In this study, we demonstrate how current state-of-the-art models fail to generate infrequent tokens on two standard benchmark datasets (IU X-RAY and MIMIC-CXR) of radiology report generation. % However, no prior study has proposed methods to adapt infrequent tokens for text generators feeding with medical images. To solve the challenge, we propose the \textbf{T}oken \textbf{Im}balance Adapt\textbf{er} (\textit{TIMER}), aiming to improve generation robustness on infrequent tokens. The model automatically leverages token imbalance by an unlikelihood loss and dynamically optimizes generation processes to augment infrequent tokens. We compare our approach with multiple state-of-the-art methods on the two benchmarks. Experiments demonstrate the effectiveness of our approach in enhancing model robustness overall and infrequent tokens. Our ablation analysis shows that our reinforcement learning method has a major effect in adapting token imbalance for radiology report generation.

Ziqi Wang, Le Hou, Tianjian Lu et al.

Large Language Models (LLMs) have demonstrated remarkable capabilities in open-ended text generation tasks. However, the inherent open-ended nature of these tasks implies that there is always room for improvement in the quality of model responses. To address this challenge, various approaches have been proposed to enhance the performance of LLMs. There has been a growing focus on enabling LLMs to self-improve their response quality, thereby reducing the reliance on extensive human annotation efforts for collecting diverse and high-quality training data. Recently, prompting-based methods have been widely explored among self-improvement methods owing to their effectiveness, efficiency, and convenience. However, those methods usually require explicitly and thoroughly written rubrics as inputs to LLMs. It is expensive and challenging to manually derive and provide all necessary rubrics with a real-world complex goal for improvement (e.g., being more helpful and less harmful). To this end, we propose an ImPlicit Self-ImprovemenT (PIT) framework that implicitly learns the improvement goal from human preference data. PIT only requires preference data that are used to train reward models without extra human efforts. Specifically, we reformulate the training objective of reinforcement learning from human feedback (RLHF) -- instead of maximizing response quality for a given input, we maximize the quality gap of the response conditioned on a reference response. In this way, PIT is implicitly trained with the improvement goal of better aligning with human preferences. Experiments on two real-world datasets and one synthetic dataset show that our method significantly outperforms prompting-based methods.

Ziyan Liu, Chunxiao Fan, Haoran Lou et al.

The rapid expansion of memes on social media has highlighted the urgent need for effective approaches to detect harmful content. However, traditional data-driven approaches struggle to detect new memes due to their evolving nature and the lack of up-to-date annotated data. To address this issue, we propose MIND, a multi-agent framework for zero-shot harmful meme detection that does not rely on annotated data. MIND implements three key strategies: 1) We retrieve similar memes from an unannotated reference set to provide contextual information. 2) We propose a bi-directional insight derivation mechanism to extract a comprehensive understanding of similar memes. 3) We then employ a multi-agent debate mechanism to ensure robust decision-making through reasoned arbitration. Extensive experiments on three meme datasets demonstrate that our proposed framework not only outperforms existing zero-shot approaches but also shows strong generalization across different model architectures and parameter scales, providing a scalable solution for harmful meme detection. The code is available at https://github.com/destroy-lonely/MIND.

Haoran Lou, Chunxiao Fan, Ziyan Liu et al.

The architecture of multimodal large language models (MLLMs) commonly connects a vision encoder, often based on CLIP-ViT, to a large language model. While CLIP-ViT works well for capturing global image features, it struggles to model local relationships between adjacent patches, leading to weaker visual representation, which in turn affects the detailed understanding ability of MLLMs. To solve this, we propose LLaVA-SP, which only adds six spatial visual tokens to the original visual tokens to enhance the visual representation. Our approach offers three key advantages: 1) We propose a novel Projector, which uses convolutional kernels to derive visual spatial tokens from ViT patch features, simulating two visual spatial ordering approaches: "from central region to global" and "from abstract to specific". Then, a cross-attention mechanism is applied to fuse fine-grained visual information, enriching the overall visual representation. 2) We present two model variants: LLaVA-SP-Cropping, which focuses on detail features through progressive cropping, and LLaVA-SP-Pooling, which captures global semantics through adaptive pooling, enabling the model to handle diverse visual understanding tasks. 3) Extensive experiments show that LLaVA-SP, fine-tuned with LoRA, achieves significant performance improvements across various multimodal benchmarks, outperforming the state-of-the-art LLaVA-1.5 model in multiple tasks with nearly identical inference latency. The code and models are available at https://github.com/CnFaker/LLaVA-SP.

Zhuoning Yuan, Yuexin Wu, Zi-Hao Qiu et al.

In this paper, we study contrastive learning from an optimization perspective, aiming to analyze and address a fundamental issue of existing contrastive learning methods that either rely on a large batch size or a large dictionary of feature vectors. We consider a global objective for contrastive learning, which contrasts each positive pair with all negative pairs for an anchor point. From the optimization perspective, we explain why existing methods such as SimCLR require a large batch size in order to achieve a satisfactory result. In order to remove such requirement, we propose a memory-efficient Stochastic Optimization algorithm for solving the Global objective of Contrastive Learning of Representations, named SogCLR. We show that its optimization error is negligible under a reasonable condition after a sufficient number of iterations or is diminishing for a slightly different global contrastive objective. Empirically, we demonstrate that SogCLR with small batch size (e.g., 256) can achieve similar performance as SimCLR with large batch size (e.g., 8192) on self-supervised learning task on ImageNet-1K. We also attempt to show that the proposed optimization technique is generic and can be applied to solving other contrastive losses, e.g., two-way contrastive losses for bimodal contrastive learning. The proposed method is implemented in our open-sourced library LibAUC (www.libauc.org).

Haoran Lou, Ziyan Liu, Chunxiao Fan et al.

Multimodal Large Language Models (MLLMs) exhibit strong reasoning and world knowledge, yet adapting them for retrieval remains challenging. Existing approaches rely on invasive parameter updates, such as full fine-tuning and LoRA, which may disrupt the pre-trained semantic space and impair the structured knowledge essential for reasoning. In this work, we argue that adapting MLLMs for retrieval should focus on eliciting pre-trained representations rather than overwriting them. To this end, we propose SLQ, an effective and efficient framework that adapts a frozen MLLM into a retriever through a small set of Shared Latent Queries. Appended to the end of both text and image token sequences, these queries leverage the model's native causal attention to serve as global aggregation interfaces, producing compact embeddings in a unified space while keeping the backbone unchanged. Furthermore, to better evaluate retrieval beyond superficial pattern matching, we construct KARR-Bench, a benchmark designed for knowledge-aware reasoning retrieval. Extensive experiments show that SLQ outperforms full fine-tuning and LoRA on COCO and Flickr30K, while achieving competitive performance on MMEB and yielding substantial gains on KARR-Bench. The results demonstrate that SLQ, which preserves pre-trained representations, provides an effective and efficient framework for adapting MLLMs to retrieval.

Zihan Wang, Yunxuan Li, Yuexin Wu et al.

Process supervision, using a trained verifier to evaluate the intermediate steps generated by a reasoner, has demonstrated significant improvements in multi-step problem solving. In this paper, to avoid the expensive effort of human annotation on the verifier training data, we introduce Model-induced Process Supervision (MiPS), a novel method for automating data curation. MiPS annotates an intermediate step by sampling completions of this solution through the reasoning model, and obtaining an accuracy defined as the proportion of correct completions. Inaccuracies of the reasoner would cause MiPS underestimating the accuracy of intermediate steps, therefore, we suggest and empirically show that verification focusing on high predicted scores of the verifier shall be preferred over that of low predicted scores, contrary to prior observations on human curated data. Our approach significantly improves the performance of PaLM 2 on math and coding tasks (accuracy +0.67% on GSM8K, +4.16% on MATH, +0.92% on MBPP compared with an output supervision trained verifier). Additionally, our study demonstrates that the verifier exhibits strong generalization ability across different reasoning models.

Chiyu Zhang, Honglong Cai, Yuezhang et al.

Text Style Transfer (TST) seeks to alter the style of text while retaining its core content. Given the constraints of limited parallel datasets for TST, we propose CoTeX, a framework that leverages large language models (LLMs) alongside chain-of-thought (CoT) prompting to facilitate TST. CoTeX distills the complex rewriting and reasoning capabilities of LLMs into more streamlined models capable of working with both non-parallel and parallel data. Through experimentation across four TST datasets, CoTeX is shown to surpass traditional supervised fine-tuning and knowledge distillation methods, particularly in low-resource settings. We conduct a comprehensive evaluation, comparing CoTeX against current unsupervised, supervised, in-context learning (ICL) techniques, and instruction-tuned LLMs. Furthermore, CoTeX distinguishes itself by offering transparent explanations for its style transfer process.

Yuexin Wu, Shiqi Wang, Vasile Rus

Disease diagnosis is a central pillar of modern healthcare, enabling early detection and timely intervention for acute conditions while guiding lifestyle adjustments and medication regimens to prevent or slow chronic disease. Self-reports preserve clinically salient signals that templated electronic health record (EHR) documentation often attenuates or omits, especially subtle but consequential details. To operationalize this shift, we introduce MIMIC-SR-ICD11, a large English diagnostic dataset built from EHR discharge notes and natively aligned to WHO ICD-11 terminology. We further present LL-Rank, a likelihood-based re-ranking framework that computes a length-normalized joint likelihood of each label given the clinical report context and subtracts the corresponding report-free prior likelihood for that label. Across seven model backbones, LL-Rank consistently outperforms a strong generation-plus-mapping baseline (GenMap). Ablation experiments show that LL-Rank's gains primarily stem from its PMI-based scoring, which isolates semantic compatibility from label frequency bias.

Sheng Shen, Le Hou, Yanqi Zhou et al.

Sparse Mixture-of-Experts (MoE) is a neural architecture design that can be utilized to add learnable parameters to Large Language Models (LLMs) without increasing inference cost. Instruction tuning is a technique for training LLMs to follow instructions. We advocate combining these two approaches, as we find that MoE models benefit more from instruction tuning than dense models. In particular, we conduct empirical studies across three experimental setups: (i) Direct finetuning on individual downstream tasks devoid of instruction tuning; (ii) Instructiontuning followed by in-context few-shot or zero-shot generalization on downstream tasks; and (iii) Instruction tuning supplemented by further finetuning on individual downstream tasks. In the first scenario, MoE models overall underperform dense models of identical computational capacity. This narrative, however, dramatically changes with the introduction of instruction tuning (second and third scenario), used independently or in conjunction with task-specific finetuning. Our most powerful model, FLAN-MOE-32B, surpasses the performance of FLAN-PALM-62B on four benchmark tasks, while using only a third of the FLOPs. The advancements embodied byFLAN-MOE inspire a reevaluation of the design principles of large-scale, high-performance language models in the framework of task-agnostic learning.

Yuexin Wu, Xiaolei Huang

Rating prediction is a core problem in recommender systems to quantify user's preferences towards items, however, rating imbalance naturally roots in real-world user ratings that cause biased predictions and lead to poor performance on tail ratings. While existing approaches in the rating prediction task deploy weighted cross-entropy to re-weight training samples, such approaches commonly assume an normal distribution, a symmetrical and balanced space. In contrast to the normal assumption, we propose a novel \underline{\emph{G}}umbel-based \underline{\emph{V}}ariational \underline{\emph{N}}etwork framework (GVN) to model rating imbalance and augment feature representations by the Gumbel distributions. We propose a Gumbel-based variational encoder to transform features into non-normal vector space. Second, we deploy a multi-scale convolutional fusion network to integrate comprehensive views of users and items from the rating matrix and user reviews. Third, we adopt a skip connection module to personalize final rating predictions. We conduct extensive experiments on five datasets with both error- and ranking-based metrics. Experiments on ranking and regression evaluation tasks prove that the GVN can effectively achieve state-of-the-art performance across the datasets and reduce the biased predictions of tail ratings. We compare with various distributions (e.g., normal and Poisson) and demonstrate the effectiveness of Gumbel-based methods on class-imbalance modeling.

Yuexin Wu, Tianyu Gao, Sihao Wang et al.

The review-based recommender systems are commonly utilized to measure users preferences towards different items. In this paper, we focus on addressing three main problems existing in the review-based methods. Firstly, these methods suffer from the class-imbalanced problem where rating levels with lower proportions will be ignored to some extent. Thus, their performance on relatively rare rating levels is unsatisfactory. As the first attempt in this field to address this problem, we propose a flexible dual-optimizer model to gain robustness from both regression loss and classification loss. Secondly, to address the problem caused by the insufficient contextual information extraction ability of word embedding, we first introduce BERT into the review-based method to improve the performance of the semantic analysis. Thirdly, the existing methods ignore the feature information of the time-varying user preferences. Therefore, we propose a time-varying feature extraction module with bidirectional long short-term memory and multi-scale convolutional neural network. Afterward, an interaction component is proposed to further summarize the contextual information of the user-item pairs. To verify the effectiveness of the proposed TADO, we conduct extensive experiments on 23 benchmark datasets selected from Amazon Product Reviews. Compared with several recently proposed state-of-the-art methods, our model obtains significant gain over ALFM, MPCN, and ANR averagely with 20.98\%, 9.84\%, and 15.46\%, respectively. Further analysis proves the necessity of jointly using the proposed components in TADO.

Donghan Yu, Yiming Yang, Ruohong Zhang et al.

Recently, a considerable literature has grown up around the theme of Graph Convolutional Network (GCN). How to effectively leverage the rich structural information in complex graphs, such as knowledge graphs with heterogeneous types of entities and relations, is a primary open challenge in the field. Most GCN methods are either restricted to graphs with a homogeneous type of edges (e.g., citation links only), or focusing on representation learning for nodes only instead of jointly propagating and updating the embeddings of both nodes and edges for target-driven objectives. This paper addresses these limitations by proposing a novel framework, namely the Knowledge Embedding based Graph Convolutional Network (KE-GCN), which combines the power of GCNs in graph-based belief propagation and the strengths of advanced knowledge embedding (a.k.a. knowledge graph embedding) methods, and goes beyond. Our theoretical analysis shows that KE-GCN offers an elegant unification of several well-known GCN methods as specific cases, with a new perspective of graph convolution. Experimental results on benchmark datasets show the advantageous performance of KE-GCN over strong baseline methods in the tasks of knowledge graph alignment and entity classification.

Donghan Yu, Ruohong Zhang, Zhengbao Jiang et al.

Graph Convolutional Networks (GCNs) have received increasing attention in the machine learning community for effectively leveraging both the content features of nodes and the linkage patterns across graphs in various applications. As real-world graphs are often incomplete and noisy, treating them as ground-truth information, which is a common practice in most GCNs, unavoidably leads to sub-optimal solutions. Existing efforts for addressing this problem either involve an over-parameterized model which is difficult to scale, or simply re-weight observed edges without dealing with the missing-edge issue. This paper proposes a novel framework called Graph-Revised Convolutional Network (GRCN), which avoids both extremes. Specifically, a GCN-based graph revision module is introduced for predicting missing edges and revising edge weights w.r.t. downstream tasks via joint optimization. A theoretical analysis reveals the connection between GRCN and previous work on multigraph belief propagation. Experiments on six benchmark datasets show that GRCN consistently outperforms strong baseline methods by a large margin, especially when the original graphs are severely incomplete or the labeled instances for model training are highly sparse.

Yuexin Wu, Yichong Xu, Aarti Singh et al.

Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is difficult to obtain, which significantly limits the true success of GNNs. Although active learning has been widely studied for addressing label-sparse issues with other data types like text, images, etc., how to make it effective over graphs is an open question for research. In this paper, we present an investigation on active learning with GNNs for node classification tasks. Specifically, we propose a new method, which uses node feature propagation followed by K-Medoids clustering of the nodes for instance selection in active learning. With a theoretical bound analysis we justify the design choice of our approach. In our experiments on four benchmark datasets, the proposed method outperforms other representative baseline methods consistently and significantly.

Yitong Li, Zhe Gan, Yelong Shen et al.

We propose a new task, called Story Visualization. Given a multi-sentence paragraph, the story is visualized by generating a sequence of images, one for each sentence. In contrast to video generation, story visualization focuses less on the continuity in generated images (frames), but more on the global consistency across dynamic scenes and characters -- a challenge that has not been addressed by any single-image or video generation methods. We therefore propose a new story-to-image-sequence generation model, StoryGAN, based on the sequential conditional GAN framework. Our model is unique in that it consists of a deep Context Encoder that dynamically tracks the story flow, and two discriminators at the story and image levels, to enhance the image quality and the consistency of the generated sequences. To evaluate the model, we modified existing datasets to create the CLEVR-SV and Pororo-SV datasets. Empirically, StoryGAN outperforms state-of-the-art models in image quality, contextual consistency metrics, and human evaluation.

Yuexin Wu, Xiujun Li, Jingjing Liu et al.

Training task-completion dialogue agents with reinforcement learning usually requires a large number of real user experiences. The Dyna-Q algorithm extends Q-learning by integrating a world model, and thus can effectively boost training efficiency using simulated experiences generated by the world model. The effectiveness of Dyna-Q, however, depends on the quality of the world model - or implicitly, the pre-specified ratio of real vs. simulated experiences used for Q-learning. To this end, we extend the recently proposed Deep Dyna-Q (DDQ) framework by integrating a switcher that automatically determines whether to use a real or simulated experience for Q-learning. Furthermore, we explore the use of active learning for improving sample efficiency, by encouraging the world model to generate simulated experiences in the state-action space where the agent has not (fully) explored. Our results show that by combining switcher and active learning, the new framework named as Switch-based Active Deep Dyna-Q (Switch-DDQ), leads to significant improvement over DDQ and Q-learning baselines in both simulation and human evaluations.

Ruochen Xu, Yiming Yang, Naoki Otani et al.

Cross-lingual transfer of word embeddings aims to establish the semantic mappings among words in different languages by learning the transformation functions over the corresponding word embedding spaces. Successfully solving this problem would benefit many downstream tasks such as to translate text classification models from resource-rich languages (e.g. English) to low-resource languages. Supervised methods for this problem rely on the availability of cross-lingual supervision, either using parallel corpora or bilingual lexicons as the labeled data for training, which may not be available for many low resource languages. This paper proposes an unsupervised learning approach that does not require any cross-lingual labeled data. Given two monolingual word embedding spaces for any language pair, our algorithm optimizes the transformation functions in both directions simultaneously based on distributional matching as well as minimizing the back-translation losses. We use a neural network implementation to calculate the Sinkhorn distance, a well-defined distributional similarity measure, and optimize our objective through back-propagation. Our evaluation on benchmark datasets for bilingual lexicon induction and cross-lingual word similarity prediction shows stronger or competitive performance of the proposed method compared to other state-of-the-art supervised and unsupervised baseline methods over many language pairs.

Junjie Hu, Wei-Cheng Chang, Yuexin Wu et al.

The task of word-level quality estimation (QE) consists of taking a source sentence and machine-generated translation, and predicting which words in the output are correct and which are wrong. In this paper, propose a method to effectively encode the local and global contextual information for each target word using a three-part neural network approach. The first part uses an embedding layer to represent words and their part-of-speech tags in both languages. The second part leverages a one-dimensional convolution layer to integrate local context information for each target word. The third part applies a stack of feed-forward and recurrent neural networks to further encode the global context in the sentence before making the predictions. This model was submitted as the CMU entry to the WMT2018 shared task on QE, and achieves strong results, ranking first in three of the six tracks.

Hanxiao Liu, Yuexin Wu, Yiming Yang

Large-scale multi-relational embedding refers to the task of learning the latent representations for entities and relations in large knowledge graphs. An effective and scalable solution for this problem is crucial for the true success of knowledge-based inference in a broad range of applications. This paper proposes a novel framework for optimizing the latent representations with respect to the \textit{analogical} properties of the embedded entities and relations. By formulating the learning objective in a differentiable fashion, our model enjoys both theoretical power and computational scalability, and significantly outperformed a large number of representative baseline methods on benchmark datasets. Furthermore, the model offers an elegant unification of several well-known methods in multi-relational embedding, which can be proven to be special instantiations of our framework.

Zhilin Yang, Ye Yuan, Yuexin Wu et al.

We propose a novel extension of the encoder-decoder framework, called a review network. The review network is generic and can enhance any existing encoder- decoder model: in this paper, we consider RNN decoders with both CNN and RNN encoders. The review network performs a number of review steps with attention mechanism on the encoder hidden states, and outputs a thought vector after each review step; the thought vectors are used as the input of the attention mechanism in the decoder. We show that conventional encoder-decoders are a special case of our framework. Empirically, we show that our framework improves over state-of- the-art encoder-decoder systems on the tasks of image captioning and source code captioning.

Yichao Zhou, Yuexin Wu, Jianyang Zeng

The computation of the global minimum energy conformation (GMEC) is an important and challenging topic in structure-based computational protein design. In this paper, we propose a new protein design algorithm based on the AND/OR branch-and-bound (AOBB) search, which is a variant of the traditional branch-and-bound search algorithm, to solve this combinatorial optimization problem. By integrating with a powerful heuristic function, AOBB is able to fully exploit the graph structure of the underlying residue interaction network of a backbone template to significantly accelerate the design process. Tests on real protein data show that our new protein design algorithm is able to solve many prob- lems that were previously unsolvable by the traditional exact search algorithms, and for the problems that can be solved with traditional provable algorithms, our new method can provide a large speedup by several orders of magnitude while still guaranteeing to find the global minimum energy conformation (GMEC) solution.