Jie Fu

Chenqing Hua, Sitao Luan, Minkai Xu et al.

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph structure or on 3D geometric structure, which is not sufficient to represent a complete molecule as 2D graph captures mainly topology while 3D geometry captures mainly spatial atom arrangements. Combining these representations is essential to better represent a molecule. In this paper, we present a new model for generating a comprehensive representation of molecules, including atom features, 2D discrete molecule structures, and 3D continuous molecule coordinates, by combining discrete and continuous diffusion processes. The use of diffusion processes allows for capturing the probabilistic nature of molecular processes and exploring the effect of different factors on molecular structures. Additionally, we propose a novel graph transformer architecture to denoise the diffusion process. The transformer adheres to 3D roto-translation equivariance constraints, allowing it to learn invariant atom and edge representations while preserving the equivariance of atom coordinates. This transformer can be used to learn molecular representations robust to geometric transformations. We evaluate the performance of our model through experiments and comparisons with existing methods, showing its ability to generate more stable and valid molecules. Our model is a promising approach for designing stable and diverse molecules and can be applied to a wide range of tasks in molecular modeling.

Ge Zhang, Yizhi Li, Yaoyao Wu et al. · mila

As natural language processing (NLP) for gender bias becomes a significant interdisciplinary topic, the prevalent data-driven techniques such as large-scale language models suffer from data inadequacy and biased corpus, especially for languages with insufficient resources such as Chinese. To this end, we propose a Chinese cOrpus foR Gender bIas Probing and Mitigation CORGI-PM, which contains 32.9k sentences with high-quality labels derived by following an annotation scheme specifically developed for gender bias in the Chinese context. Moreover, we address three challenges for automatic textual gender bias mitigation, which requires the models to detect, classify, and mitigate textual gender bias. We also conduct experiments with state-of-the-art language models to provide baselines. To our best knowledge, CORGI-PM is the first sentence-level Chinese corpus for gender bias probing and mitigation.

Tianyu Zheng, Ge Zhang, Tianhao Shen et al.

The introduction of large language models has significantly advanced code generation. However, open-source models often lack the execution capabilities and iterative refinement of advanced systems like the GPT-4 Code Interpreter. To address this, we introduce OpenCodeInterpreter, a family of open-source code systems designed for generating, executing, and iteratively refining code. Supported by Code-Feedback, a dataset featuring 68K multi-turn interactions, OpenCodeInterpreter integrates execution and human feedback for dynamic code refinement. Our comprehensive evaluation of OpenCodeInterpreter across key benchmarks such as HumanEval, MBPP, and their enhanced versions from EvalPlus reveals its exceptional performance. Notably, OpenCodeInterpreter-33B achieves an accuracy of 83.2 (76.4) on the average (and plus versions) of HumanEval and MBPP, closely rivaling GPT-4's 84.2 (76.2) and further elevates to 91.6 (84.6) with synthesized human feedback from GPT-4. OpenCodeInterpreter brings the gap between open-source code generation models and proprietary systems like GPT-4 Code Interpreter.

Jie Fu, Zhili Chen, XinPeng Ling

Differential privacy (DP) provides a formal privacy guarantee that prevents adversaries with access to machine learning models from extracting information about individual training points. Differentially private stochastic gradient descent (DPSGD) is the most popular training method with differential privacy in image recognition. However, existing DPSGD schemes lead to significant performance degradation, which prevents the application of differential privacy. In this paper, we propose a simulated annealing-based differentially private stochastic gradient descent scheme (SA-DPSGD) which accepts a candidate update with a probability that depends both on the update quality and on the number of iterations. Through this random update screening, we make the differentially private gradient descent proceed in the right direction in each iteration, and result in a more accurate model finally. In our experiments, under the same hyperparameters, our scheme achieves test accuracies 98.35%, 87.41% and 60.92% on datasets MNIST, FashionMNIST and CIFAR10, respectively, compared to the state-of-the-art result of 98.12%, 86.33% and 59.34%. Under the freely adjusted hyperparameters, our scheme achieves even higher accuracies, 98.89%, 88.50% and 64.17%. We believe that our method has a great contribution for closing the accuracy gap between private and non-private image classification.

Jiawei Guo, Ziming Li, Xueling Liu et al.

Large Language Models (LLMs) for code are rapidly evolving, with code editing emerging as a critical capability. We introduce CodeEditorBench, an evaluation framework designed to rigorously assess the performance of LLMs in code editing tasks, including debugging, translating, polishing, and requirement switching. Unlike existing benchmarks focusing solely on code generation, CodeEditorBench emphasizes real-world scenarios and practical aspects of software development. We curate diverse coding challenges and scenarios from five sources, covering various programming languages, complexity levels, and editing tasks. Evaluation of 19 LLMs reveals that closed-source models (particularly Gemini-Ultra and GPT-4), outperform open-source models in CodeEditorBench, highlighting differences in model performance based on problem types and prompt sensitivities. CodeEditorBench aims to catalyze advancements in LLMs by providing a robust platform for assessing code editing capabilities. We will release all prompts and datasets to enable the community to expand the dataset and benchmark emerging LLMs. By introducing CodeEditorBench, we contribute to the advancement of LLMs in code editing and provide a valuable resource for researchers and practitioners.

Yujie Shao, Xinrong Yao, Xingwei Qu et al.

Metaphor is a prominent linguistic device in human language and literature, as they add color, imagery, and emphasis to enhance effective communication. This paper introduces a large-scale high quality annotated Chinese Metaphor Corpus, which comprises around 28K sentences drawn from a diverse range of Chinese literary sources, such as poems, prose, song lyrics, etc. To ensure the accuracy and consistency of our annotations, we introduce a comprehensive set of guidelines. These guidelines address the facets of metaphor annotation, including identifying tenors, vehicles, and grounds to handling the complexities of similes, personifications, juxtapositions, and hyperboles. Breaking tradition, our approach to metaphor generation emphasizes grounds and their distinct features rather than the conventional combination of tenors and vehicles. By integrating "ground" as a CoT (Chain of Thoughts) input, we are able to generate metaphors that resonate more with real-world intuition. We test generative models such as Belle, Baichuan, and Chinese-alpaca-33B using our annotated corpus. These models are able to generate creative and fluent metaphor sentences more frequently induced by selected samples from our dataset, demonstrating the value of our corpus for Chinese metaphor research. The code is available in https://github.com/JasonShao55/Chinese_Metaphor_Explanation.

Siming Huang, Tianhao Cheng, J. K. Liu et al.

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems. While open-access code LLMs are increasingly approaching the performance levels of proprietary models, high-quality code LLMs suitable for rigorous scientific investigation, particularly those with reproducible data processing pipelines and transparent training protocols, remain limited. The scarcity is due to various challenges, including resource constraints, ethical considerations, and the competitive advantages of keeping models advanced. To address the gap, we introduce OpenCoder, a top-tier code LLM that not only achieves performance comparable to leading models but also serves as an "open cookbook" for the research community. Unlike most prior efforts, we release not only model weights and inference code, but also the reproducible training data, complete data processing pipeline, rigorous experimental ablation results, and detailed training protocols for open scientific research. Through this comprehensive release, we identify the key ingredients for building a top-tier code LLM: (1) code optimized heuristic rules for data cleaning and methods for data deduplication, (2) recall of text corpus related to code and (3) high-quality synthetic data in both annealing and supervised fine-tuning stages. By offering this level of openness, we aim to broaden access to all aspects of a top-tier code LLM, with OpenCoder serving as both a powerful model and an open foundation to accelerate research, and enable reproducible advancements in code AI.

Alex Zhuang, Ge Zhang, Tianyu Zheng et al.

Structured data sources, such as tables, graphs, and databases, are ubiquitous knowledge sources. Despite the demonstrated capabilities of large language models (LLMs) on plain text, their proficiency in interpreting and utilizing structured data remains limited. Our investigation reveals a notable deficiency in LLMs' ability to process structured data, e.g., ChatGPT lags behind state-of-the-art (SoTA) model by an average of 35%. To augment the Structured Knowledge Grounding (SKG) capabilities in LLMs, we have developed a comprehensive instruction tuning dataset comprising 1.1 million examples. Utilizing this dataset, we train a series of models, referred to as StructLM, based on the Mistral and the CodeLlama model family, ranging from 7B to 34B parameters. Our StructLM series surpasses task-specific models on 16 out of 18 evaluated datasets and establishes new SoTA performance on 8 SKG tasks. Furthermore, StructLM demonstrates strong generalization across 6 novel held-out SKG tasks, outperforming TableLlama by an average of 35\% and Flan-UL2 20B by an average of 10\%. Contrary to expectations, we observe that scaling model size offers marginal benefits, with StructLM-34B showing only slight improvements over StructLM-7B. This suggests that structured knowledge grounding is still a challenging task and requires more innovative design to push to a new level.

Jianzhi Liu, Hexiang Gu, Tianyu Zheng et al.

In the realm of mimicking human deliberation, large language models (LLMs) show promising performance, thereby amplifying the importance of this research area. Deliberation is influenced by both logic and personality. However, previous studies predominantly focused on the logic of LLMs, neglecting the exploration of personality aspects. In this work, we introduce Dynamic Personality Generation (DPG), a dynamic personality generation method based on Hypernetworks. Initially, we embed the Big Five personality theory into GPT-4 to form a personality assessment machine, enabling it to evaluate characters' personality traits from dialogues automatically. We propose a new metric to assess personality generation capability based on this evaluation method. Then, we use this personality assessment machine to evaluate dialogues in script data, resulting in a personality-dialogue dataset. Finally, we fine-tune DPG on the personality-dialogue dataset. Experiments prove that DPG's personality generation capability is stronger after fine-tuning on this dataset than traditional fine-tuning methods, surpassing prompt-based GPT-4.

Yonggang Jin, Ge Zhang, Hao Zhao et al.

Developing a generalist agent is a longstanding objective in artificial intelligence. Previous efforts utilizing extensive offline datasets from various tasks demonstrate remarkable performance in multitasking scenarios within Reinforcement Learning. However, these works encounter challenges in extending their capabilities to new tasks. Recent approaches integrate textual guidance or visual trajectory into decision networks to provide task-specific contextual cues, representing a promising direction. However, it is observed that relying solely on textual guidance or visual trajectory is insufficient for accurately conveying the contextual information of tasks. This paper explores enhanced forms of task guidance for agents, enabling them to comprehend gameplay instructions, thereby facilitating a "read-to-play" capability. Drawing inspiration from the success of multimodal instruction tuning in visual tasks, we treat the visual-based RL task as a long-horizon vision task and construct a set of multimodal game instructions to incorporate instruction tuning into a decision transformer. Experimental results demonstrate that incorporating multimodal game instructions significantly enhances the decision transformer's multitasking and generalization capabilities.

Xingwei Qu, Yiming Liang, Yucheng Wang et al.

Large Language Models (LLMs) exhibit the ability to perform in-context learning (ICL), where they acquire new tasks directly from examples provided in demonstrations. This process is thought to operate through an implicit task selection mechanism that involves extracting and processing task definitions from these demonstrations. However, critical questions remain: Which is more essential -- task extraction or definition? And how can these capabilities be further improved? To address these questions, we propose \textbf{TEGEE} (Task Definition Guided Expert Ensembling), a method that explicitly extracts task definitions and generates responses based on specific tasks. Our framework employs a dual 3B model approach, with each model assigned a distinct role: one focuses on task definition extraction, while the other handles learning from demonstrations. This modular approach supports the hypothesis that extracting task definitions is more vital than processing the task itself. Empirical evaluations show that TEGEE performs comparably to the larger LLaMA2-13B model. By leveraging a modular design, our approach extends traditional ICL from few-shot to many-shot learning, supporting an unlimited number of demonstrations and enhancing continual learning capabilities.

Yizhi Li, Ruibin Yuan, Ge Zhang et al.

Self-supervised learning (SSL) has recently emerged as a promising paradigm for training generalisable models on large-scale data in the fields of vision, text, and speech. Although SSL has been proven effective in speech and audio, its application to music audio has yet to be thoroughly explored. This is partially due to the distinctive challenges associated with modelling musical knowledge, particularly tonal and pitched characteristics of music. To address this research gap, we propose an acoustic Music undERstanding model with large-scale self-supervised Training (MERT), which incorporates teacher models to provide pseudo labels in the masked language modelling (MLM) style acoustic pre-training. In our exploration, we identified an effective combination of teacher models, which outperforms conventional speech and audio approaches in terms of performance. This combination includes an acoustic teacher based on Residual Vector Quantisation - Variational AutoEncoder (RVQ-VAE) and a musical teacher based on the Constant-Q Transform (CQT). Furthermore, we explore a wide range of settings to overcome the instability in acoustic language model pre-training, which allows our designed paradigm to scale from 95M to 330M parameters. Experimental results indicate that our model can generalise and perform well on 14 music understanding tasks and attain state-of-the-art (SOTA) overall scores.