Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a multi-constraint molecular generation large language model, TSMMG, which, akin to a student, incorporates knowledge from various small models and tools, namely, the 'teachers'. To train TSMMG, we construct a large set of text-molecule pairs by extracting molecular knowledge from these 'teachers', enabling it to generate novel molecules that conform to the descriptions through various text prompts. We experimentally show that TSMMG remarkably performs in generating molecules meeting complex, natural language-described property requirements across two-, three-, and four-constraint tasks, with an average molecular validity of over 99% and success ratio of 88.08%, 65.27%, and 61.44%, respectively. The model also exhibits adaptability through zero-shot testing, creating molecules that satisfy combinations of properties that have not been encountered. It can comprehend text inputs with various language styles, extending beyond the confines of outlined prompts, as confirmed through empirical validation. Additionally, the knowledge distillation feature of TSMMG contributes to the continuous enhancement of small models, while the innovative approach to dataset construction effectively addresses the issues of data scarcity and quality, which positions TSMMG as a promising tool in the domains of drug discovery and materials science. Code is available at https://github.com/HHW-zhou/TSMMG.

Anchor-based Large Language Models

Large language models (LLMs) predominantly employ decoder-only transformer architectures, necessitating the retention of keys/values information for historical tokens to provide contextual information and avoid redundant computation. However, the substantial size and parameter volume of these LLMs require massive GPU memory. This memory demand increases with the length of the input text, leading to an urgent need for more efficient methods of information storage and processing. This study introduces Anchor-based LLMs (AnLLMs), which utilize an innovative anchor-based self-attention network (AnSAN) and also an anchor-based inference strategy. This approach enables LLMs to compress sequence information into an anchor token, reducing the keys/values cache and enhancing inference efficiency. Experiments on question-answering benchmarks reveal that AnLLMs maintain similar accuracy levels while achieving up to 99% keys/values cache reduction and up to 3.5 times faster inference. Despite a minor compromise in accuracy, the substantial enhancements of AnLLMs employing the AnSAN technique in resource utilization and computational efficiency underscore their potential for practical LLM applications.

Benchmarking LLMs via Uncertainty Quantification

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace open LLM leaderboard, neglect a crucial aspect -- uncertainty, which is vital for thoroughly assessing LLMs. To bridge this gap, we introduce a new benchmarking approach for LLMs that integrates uncertainty quantification. Our examination involves eight LLMs (LLM series) spanning five representative natural language processing tasks. Additionally, we introduce an uncertainty-aware evaluation metric, UAcc, which takes into account both prediction accuracy and prediction uncertainty. Our findings reveal that: I) LLMs with higher accuracy may exhibit lower certainty; II) Larger-scale LLMs may display greater uncertainty compared to their smaller counterparts; and III) Instruction-finetuning tends to increase the uncertainty of LLMs. By taking uncertainty into account, our new UAcc metric can either amplify or diminish the relative improvement of one LLM over another and may even change the relative ranking of two LLMs. These results underscore the significance of incorporating uncertainty in the evaluation of LLMs.

Salute the Classic: Revisiting Challenges of Machine Translation in the Age of Large Language Models

The evolution of Neural Machine Translation (NMT) has been significantly influenced by six core challenges (Koehn and Knowles, 2017), which have acted as benchmarks for progress in this field. This study revisits these challenges, offering insights into their ongoing relevance in the context of advanced Large Language Models (LLMs): domain mismatch, amount of parallel data, rare word prediction, translation of long sentences, attention model as word alignment, and sub-optimal beam search. Our empirical findings indicate that LLMs effectively lessen the reliance on parallel data for major languages in the pretraining phase. Additionally, the LLM-based translation system significantly enhances the translation of long sentences that contain approximately 80 words and shows the capability to translate documents of up to 512 words. However, despite these significant improvements, the challenges of domain mismatch and prediction of rare words persist. While the challenges of word alignment and beam search, specifically associated with NMT, may not apply to LLMs, we identify three new challenges for LLMs in translation tasks: inference efficiency, translation of low-resource languages in the pretraining phase, and human-aligned evaluation. The datasets and models are released at https://github.com/pangjh3/LLM4MT.

Retrieval-augmented Multi-modal Chain-of-Thoughts Reasoning for Large Language Models

The advancement of Large Language Models(LLMs) has brought substantial attention to the Chain of Thought(CoT) approach, primarily due to its ability to enhance the capability of LLMs on tasks requiring complex reasoning. Moreover, the significance of CoT approaches extends to the application of LLMs for multi-modal tasks, such as multi-modal question answering. However, the selection of optimal CoT demonstration examples in multi-modal reasoning for LLMs remains less explored for LLMs due to the inherent complexity of multi-modal examples. In this paper, we introduce a novel approach that addresses this challenge by using retrieval mechanisms to dynamically and automatically select demonstration examples based on cross-modal similarities. This method aims to refine the CoT reasoning process in multi-modal scenarios via informing LLMs with more relevant and informative examples. Furthermore, we employ a stratified sampling method categorising demonstration examples into groups based on their types and retrieving examples from different groups respectively to promote the diversity of demonstration examples. Through a series of experiments, we demonstrate that our approach significantly improves the performance of LLMs, achieving state-of-the-art results in multi-modal reasoning tasks. Specifically, our methods demonstrate significant advancements on the ScienceQA dataset. While our method based on ChatGPT outperforms the Chameleon(ChatGPT) by 2.74% with an accuracy of 82.67%, the GPT4-based approach surpasses the Chameleon(GPT-4) by 0.89%, achieving 87.43% on accuracy under the same setting. Moreover, our best performing show a 6.05% increase over Chameleon for ChatGPT-based models and a 4.57% increase for GPT-4-based models.

Alternate Diverse Teaching for Semi-supervised Medical Image Segmentation

Semi-supervised medical image segmentation studies have shown promise in training models with limited labeled data. However, current dominant teacher-student based approaches can suffer from the confirmation bias. To address this challenge, we propose AD-MT, an alternate diverse teaching approach in a teacher-student framework. It involves a single student model and two non-trainable teacher models that are momentum-updated periodically and randomly in an alternate fashion. To mitigate the confirmation bias from the diverse supervision, the core of AD-MT lies in two proposed modules: the Random Periodic Alternate (RPA) Updating Module and the Conflict-Combating Module (CCM). The RPA schedules the alternating diverse updating process with complementary data batches, distinct data augmentation, and random switching periods to encourage diverse reasoning from different teaching perspectives. The CCM employs an entropy-based ensembling strategy to encourage the model to learn from both the consistent and conflicting predictions between the teachers. Experimental results demonstrate the effectiveness and superiority of our AD-MT on the 2D and 3D medical segmentation benchmarks across various semi-supervised settings.

GPT4Video: A Unified Multimodal Large Language Model for lnstruction-Followed Understanding and Safety-Aware Generation

While the recent advances in Multimodal Large Language Models (MLLMs) constitute a significant leap forward in the field, these models are predominantly confined to the realm of input-side multimodal comprehension, lacking the capacity for multimodal content generation. To fill this gap, we present GPT4Video, a unified multi-model framework that empowers Large Language Models (LLMs) with the capability of both video understanding and generation. Specifically, we develop an instruction-following-based approach integrated with the stable diffusion generative model, which has demonstrated to effectively and securely handle video generation scenarios. GPT4Video offers the following benefits: 1) It exhibits impressive capabilities in both video understanding and generation scenarios. For example, GPT4Video outperforms Valley by 11.8\% on the Video Question Answering task, and surpasses NExt-GPT by 2.3\% on the Text to Video generation task. 2) it endows the LLM/MLLM with video generation capabilities without requiring additional training parameters and can flexibly interface with a wide range of models to perform video generation. 3) it maintains a safe and healthy conversation not only in output-side but also the input side in an end-to-end manner. Qualitative and qualitative experiments demonstrate that GPT4Video holds the potential to function as a effective, safe and Humanoid-like video assistant that can handle both video understanding and generation scenarios.

A Comprehensive Evaluation of GPT-4V on Knowledge-Intensive Visual Question Answering

The emergence of multimodal large models (MLMs) has significantly advanced the field of visual understanding, offering remarkable capabilities in the realm of visual question answering (VQA). Yet, the true challenge lies in the domain of knowledge-intensive VQA tasks, which necessitate not just recognition of visual elements, but also a deep comprehension of the visual information in conjunction with a vast repository of learned knowledge. To uncover such capabilities of MLMs, particularly the newly introduced GPT-4V, we provide an in-depth evaluation from three perspectives: 1) Commonsense Knowledge, which assesses how well models can understand visual cues and connect to general knowledge; 2) Fine-grained World Knowledge, which tests the model's skill in reasoning out specific knowledge from images, showcasing their proficiency across various specialized fields; 3) Comprehensive Knowledge with Decision-making Rationales, which examines model's capability to provide logical explanations for its inference, facilitating a deeper analysis from the interpretability perspective. Extensive experiments indicate that GPT-4V achieves SOTA performance on above three tasks. Interestingly, we find that: a) GPT-4V demonstrates enhanced reasoning and explanation when using composite images as few-shot; b) GPT-4V produces severe hallucinations when dealing with world knowledge, highlighting the future need for advancements in this research direction.

Findings of the WMT 2023 Shared Task on Discourse-Level Literary Translation: A Fresh Orb in the Cosmos of LLMs

Translating literary works has perennially stood as an elusive dream in machine translation (MT), a journey steeped in intricate challenges. To foster progress in this domain, we hold a new shared task at WMT 2023, the first edition of the Discourse-Level Literary Translation. First, we (Tencent AI Lab and China Literature Ltd.) release a copyrighted and document-level Chinese-English web novel corpus. Furthermore, we put forth an industry-endorsed criteria to guide human evaluation process. This year, we totally received 14 submissions from 7 academia and industry teams. We employ both automatic and human evaluations to measure the performance of the submitted systems. The official ranking of the systems is based on the overall human judgments. In addition, our extensive analysis reveals a series of interesting findings on literary and discourse-aware MT. We release data, system outputs, and leaderboard at http://www2.statmt.org/wmt23/literary-translation-task.html.