ChatMol: A Versatile Molecule Designer Based on the Numerically Enhanced Large Language Model

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement learning, often require training multiple property predictors and struggle to incorporate substructure constraints. Inspired by the success of Large Language Models (LLMs) in text generation, we propose ChatMol, a novel approach that leverages LLMs for molecule design across diverse constraint settings. Initially, we crafted a molecule representation compatible with LLMs and validated its efficacy across multiple online LLMs. Afterwards, we developed specific prompts geared towards diverse constrained molecule generation tasks to further fine-tune current LLMs while integrating feedback learning derived from property prediction. Finally, to address the limitations of LLMs in numerical recognition, we referred to the position encoding method and incorporated additional encoding for numerical values within the prompt. Experimental results across single-property, substructure-property, and multi-property constrained tasks demonstrate that ChatMol consistently outperforms state-of-the-art baselines, including VAE and RL-based methods. Notably, in multi-objective binding affinity maximization task, ChatMol achieves a significantly lower KD value of 0.25 for the protein target ESR1, while maintaining the highest overall performance, surpassing previous methods by 4.76%. Meanwhile, with numerical enhancement, the Pearson correlation coefficient between the instructed property values and those of the generated molecules increased by up to 0.49. These findings highlight the potential of LLMs as a versatile framework for molecule generation, offering a promising alternative to traditional latent space and RL-based approaches.

Gated Slot Attention for Efficient Linear-Time Sequence Modeling

Linear attention Transformers and their gated variants, celebrated for enabling parallel training and efficient recurrent inference, still fall short in recall-intensive tasks compared to traditional Transformers and demand significant resources for training from scratch. This paper introduces Gated Slot Attention (GSA), which enhances Attention with Bounded-memory-Control (ABC) by incorporating a gating mechanism inspired by Gated Linear Attention (GLA). Essentially, GSA comprises a two-layer GLA linked via softmax, utilizing context-aware memory reading and adaptive forgetting to improve memory capacity while maintaining compact recurrent state size. This design greatly enhances both training and inference efficiency through GLA's hardware-efficient training algorithm and reduced state size. Additionally, retaining the softmax operation is particularly beneficial in "finetuning pretrained Transformers to RNNs" (T2R) settings, reducing the need for extensive training from scratch. Extensive experiments confirm GSA's superior performance in scenarios requiring in-context recall and in T2R settings.

OpenBA-V2: Reaching 77.3% High Compression Ratio with Fast Multi-Stage Pruning

Large Language Models (LLMs) have played an important role in many fields due to their powerful capabilities.However, their massive number of parameters leads to high deployment requirements and incurs significant inference costs, which impedes their practical applications. Training smaller models is an effective way to address this problem. Therefore, we introduce OpenBA-V2, a 3.4B model derived from multi-stage compression and continual pre-training from the original 15B OpenBA model. OpenBA-V2 utilizes more data, more flexible training objectives, and techniques such as layer pruning, neural pruning, and vocabulary pruning to achieve a compression rate of 77.3\% with minimal performance loss. OpenBA-V2 demonstrates competitive performance compared to other open-source models of similar size, achieving results close to or on par with the 15B OpenBA model in downstream tasks such as common sense reasoning and Named Entity Recognition (NER). OpenBA-V2 illustrates that LLMs can be compressed into smaller ones with minimal performance loss by employing advanced training objectives and data strategies, which may help deploy LLMs in resource-limited scenarios.

Non-autoregressive Text Editing with Copy-aware Latent Alignments

Recent work has witnessed a paradigm shift from Seq2Seq to Seq2Edit in the field of text editing, with the aim of addressing the slow autoregressive inference problem posed by the former. Despite promising results, Seq2Edit approaches still face several challenges such as inflexibility in generation and difficulty in generalizing to other languages. In this work, we propose a novel non-autoregressive text editing method to circumvent the above issues, by modeling the edit process with latent CTC alignments. We make a crucial extension to CTC by introducing the copy operation into the edit space, thus enabling more efficient management of textual overlap in editing. We conduct extensive experiments on GEC and sentence fusion tasks, showing that our proposed method significantly outperforms existing Seq2Edit models and achieves similar or even better results than Seq2Seq with over $4\times$ speedup. Moreover, it demonstrates good generalizability on German and Russian. In-depth analyses reveal the strengths of our method in terms of the robustness under various scenarios and generating fluent and flexible outputs.

OpenBA: An Open-sourced 15B Bilingual Asymmetric seq2seq Model Pre-trained from Scratch

Large language models (LLMs) with billions of parameters have demonstrated outstanding performance on various natural language processing tasks. This report presents OpenBA, an open-sourced 15B bilingual asymmetric seq2seq model, to contribute an LLM variant to the Chinese-oriented open-source model community. We enhance OpenBA with effective and efficient techniques as well as adopt a three-stage training strategy to train the model from scratch. Our solution can also achieve very competitive performance with only 380B tokens, which is better than LLaMA-70B on the BELEBELE benchmark, BLOOM-176B on the MMLU benchmark, GLM-130B on the C-Eval (hard) benchmark. This report provides the main details to pre-train an analogous model, including pre-training data processing, Bilingual Flan data collection, the empirical observations that inspire our model architecture design, training objectives of different stages, and other enhancement techniques. Additionally, we also provide the fine-tuning details of OpenBA on four downstream tasks. We have refactored our code to follow the design principles of the Huggingface Transformers Library, making it more convenient for developers to use, and released checkpoints of different training stages at https://huggingface.co/openBA. More details of our project are available at https://github.com/OpenNLG/openBA.git.

RSpell: Retrieval-augmented Framework for Domain Adaptive Chinese Spelling Check

Chinese Spelling Check (CSC) refers to the detection and correction of spelling errors in Chinese texts. In practical application scenarios, it is important to make CSC models have the ability to correct errors across different domains. In this paper, we propose a retrieval-augmented spelling check framework called RSpell, which searches corresponding domain terms and incorporates them into CSC models. Specifically, we employ pinyin fuzzy matching to search for terms, which are combined with the input and fed into the CSC model. Then, we introduce an adaptive process control mechanism to dynamically adjust the impact of external knowledge on the model. Additionally, we develop an iterative strategy for the RSpell framework to enhance reasoning capabilities. We conducted experiments on CSC datasets in three domains: law, medicine, and official document writing. The results demonstrate that RSpell achieves state-of-the-art performance in both zero-shot and fine-tuning scenarios, demonstrating the effectiveness of the retrieval-augmented CSC framework. Our code is available at https://github.com/47777777/Rspell.

Discourse-Aware Emotion Cause Extraction in Conversations

Emotion Cause Extraction in Conversations (ECEC) aims to extract the utterances which contain the emotional cause in conversations. Most prior research focuses on modelling conversational contexts with sequential encoding, ignoring the informative interactions between utterances and conversational-specific features for ECEC. In this paper, we investigate the importance of discourse structures in handling utterance interactions and conversationspecific features for ECEC. To this end, we propose a discourse-aware model (DAM) for this task. Concretely, we jointly model ECEC with discourse parsing using a multi-task learning (MTL) framework and explicitly encode discourse structures via gated graph neural network (gated GNN), integrating rich utterance interaction information to our model. In addition, we use gated GNN to further enhance our ECEC model with conversation-specific features. Results on the benchmark corpus show that DAM outperform the state-of-theart (SOTA) systems in the literature. This suggests that the discourse structure may contain a potential link between emotional utterances and their corresponding cause expressions. It also verifies the effectiveness of conversationalspecific features. The codes of this paper will be available on GitHub.

Visual Subtitle Feature Enhanced Video Outline Generation

With the tremendously increasing number of videos, there is a great demand for techniques that help people quickly navigate to the video segments they are interested in. However, current works on video understanding mainly focus on video content summarization, while little effort has been made to explore the structure of a video. Inspired by textual outline generation, we introduce a novel video understanding task, namely video outline generation (VOG). This task is defined to contain two sub-tasks: (1) first segmenting the video according to the content structure and then (2) generating a heading for each segment. To learn and evaluate VOG, we annotate a 10k+ dataset, called DuVOG. Specifically, we use OCR tools to recognize subtitles of videos. Then annotators are asked to divide subtitles into chapters and title each chapter. In videos, highlighted text tends to be the headline since it is more likely to attract attention. Therefore we propose a Visual Subtitle feature Enhanced video outline generation model (VSENet) which takes as input the textual subtitles together with their visual font sizes and positions. We consider the VOG task as a sequence tagging problem that extracts spans where the headings are located and then rewrites them to form the final outlines. Furthermore, based on the similarity between video outlines and textual outlines, we use a large number of articles with chapter headings to pretrain our model. Experiments on DuVOG show that our model largely outperforms other baseline methods, achieving 77.1 of F1-score for the video segmentation level and 85.0 of ROUGE-L_F0.5 for the headline generation level.

Revising Image-Text Retrieval via Multi-Modal Entailment

An outstanding image-text retrieval model depends on high-quality labeled data. While the builders of existing image-text retrieval datasets strive to ensure that the caption matches the linked image, they cannot prevent a caption from fitting other images. We observe that such a many-to-many matching phenomenon is quite common in the widely-used retrieval datasets, where one caption can describe up to 178 images. These large matching-lost data not only confuse the model in training but also weaken the evaluation accuracy. Inspired by visual and textual entailment tasks, we propose a multi-modal entailment classifier to determine whether a sentence is entailed by an image plus its linked captions. Subsequently, we revise the image-text retrieval datasets by adding these entailed captions as additional weak labels of an image and develop a universal variable learning rate strategy to teach a retrieval model to distinguish the entailed captions from other negative samples. In experiments, we manually annotate an entailment-corrected image-text retrieval dataset for evaluation. The results demonstrate that the proposed entailment classifier achieves about 78% accuracy and consistently improves the performance of image-text retrieval baselines.

General and Domain Adaptive Chinese Spelling Check with Error Consistent Pretraining

The lack of label data is one of the significant bottlenecks for Chinese Spelling Check (CSC). Existing researches use the method of automatic generation by exploiting unlabeled data to expand the supervised corpus. However, there is a big gap between the real input scenario and automatic generated corpus. Thus, we develop a competitive general speller ECSpell which adopts the Error Consistent masking strategy to create data for pretraining. This error consistency masking strategy is used to specify the error types of automatically generated sentences which is consistent with real scene. The experimental result indicates our model outperforms previous state-of-the-art models on the general benchmark. Moreover, spellers often work within a particular domain in real life. Due to lots of uncommon domain terms, experiments on our built domain specific datasets show that general models perform terribly. Inspired by the common practice of input methods, we propose to add an alterable user dictionary to handle the zero-shot domain adaption problem. Specifically, we attach a User Dictionary guided inference module (UD) to a general token classification based speller. Our experiments demonstrate that ECSpell$^{UD}$, namely ECSpell combined with UD, surpasses all the other baselines largely, even approaching the performance on the general benchmark.