Zichen Zhu

Liangtai Sun, Xingyu Chen, Lu Chen et al.

Task-oriented dialogue (TOD) systems have been widely used by mobile phone intelligent assistants to accomplish tasks such as calendar scheduling or hotel reservation. Current TOD systems usually focus on multi-turn text/speech interaction, then they would call back-end APIs designed for TODs to perform the task. However, this API-based architecture greatly limits the information-searching capability of intelligent assistants and may even lead to task failure if TOD-specific APIs are not available or the task is too complicated to be executed by the provided APIs. In this paper, we propose a new TOD architecture: GUI-based task-oriented dialogue system (GUI-TOD). A GUI-TOD system can directly perform GUI operations on real APPs and execute tasks without invoking TOD-specific backend APIs. Furthermore, we release META-GUI, a dataset for training a Multi-modal convErsaTional Agent on mobile GUI. We also propose a multi-model action prediction and response model, which show promising results on META-GUI. The dataset, codes and leaderboard are publicly available.

Zihan Zhao, Bo Chen, Jingpiao Li et al.

Rapid developments of AI tools are expected to offer unprecedented assistance to the research of natural science including chemistry. However, neither existing unimodal task-specific specialist models nor emerging general large multimodal models (LMM) can cover the wide range of chemical data modality and task categories. To address the real demands of chemists, a cross-modal Chemical General Intelligence (CGI) system, which serves as a truly practical and useful research assistant utilizing the great potential of LMMs, is in great need. In this work, we introduce the first Cross-modal Dialogue Foundation Model for Chemistry (ChemDFM-X). Diverse multimodal data are generated from an initial modality by approximate calculations and task-specific model predictions. This strategy creates sufficient chemical training corpora, while significantly reducing excessive expense, resulting in an instruction-tuning dataset containing 7.6M data. After instruction finetuning, ChemDFM-X is evaluated on extensive experiments of different chemical tasks with various data modalities. The results demonstrate the capacity of ChemDFM-X for multimodal and inter-modal knowledge comprehension. ChemDFM-X marks a significant milestone toward aligning all modalities in chemistry, a step closer to CGI.

Kunyao Lan, Bingrui Jin, Zichen Zhu et al.

Mental health issues, particularly depressive disorders, present significant challenges in contemporary society, necessitating the development of effective automated diagnostic methods. This paper introduces the Agent Mental Clinic (AMC), a self-improving conversational agent system designed to enhance depression diagnosis through simulated dialogues between patient and psychiatrist agents. To enhance the dialogue quality and diagnosis accuracy, we design a psychiatrist agent consisting of a tertiary memory structure, a dialogue control and reflect plugin that acts as ``supervisor'' and a memory sampling module, fully leveraging the skills reflected by the psychiatrist agent, achieving great accuracy on depression risk and suicide risk diagnosis via conversation. Experiment results on datasets collected in real-life scenarios demonstrate that the system, simulating the procedure of training psychiatrists, can be a promising optimization method for aligning LLMs with real-life distribution in specific domains without modifying the weights of LLMs, even when only a few representative labeled cases are available.

Hongshen Xu, Lu Chen, Zihan Zhao et al.

The growing prevalence of visually rich documents, such as webpages and scanned/digital-born documents (images, PDFs, etc.), has led to increased interest in automatic document understanding and information extraction across academia and industry. Although various document modalities, including image, text, layout, and structure, facilitate human information retrieval, the interconnected nature of these modalities presents challenges for neural networks. In this paper, we introduce WebLM, a multimodal pre-training network designed to address the limitations of solely modeling text and structure modalities of HTML in webpages. Instead of processing document images as unified natural images, WebLM integrates the hierarchical structure of document images to enhance the understanding of markup-language-based documents. Additionally, we propose several pre-training tasks to model the interaction among text, structure, and image modalities effectively. Empirical results demonstrate that the pre-trained WebLM significantly surpasses previous state-of-the-art pre-trained models across several webpage understanding tasks. The pre-trained models and code are available at https://github.com/X-LANCE/weblm.

Zihan Zhao, Da Ma, Lu Chen et al.

Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and efficient solution would be an AI model that could address many tasks and support free-form dialogue in the broad field of chemistry. In its utmost form, such a generalist AI chemist could be referred to as Chemical General Intelligence. Large language models (LLMs) have recently logged tremendous success in the general domain of natural language processing, showing emerging task generalization and free-form dialogue capabilities. However, domain knowledge of chemistry is largely missing when training general-domain LLMs. The lack of such knowledge greatly hinders the performance of generalist LLMs in the field of chemistry. To this end, we develop ChemDFM, a pioneering LLM for chemistry trained on 34B tokens from chemical literature and textbooks, and fine-tuned using 2.7M instructions. As a result, it can understand and reason with chemical knowledge in free-form dialogue. Quantitative evaluations show that ChemDFM significantly surpasses most representative open-source LLMs. It outperforms GPT-4 on a great portion of chemical tasks, despite the substantial size difference. We have open-sourced the inference codes, evaluation datasets, and model weights of ChemDFM on Huggingface (https://huggingface.co/OpenDFM/ChemDFM-v1.0-13B).

Hongshen Xu, Zichen Zhu, Situo Zhang et al.

Large Language Models (LLMs) often generate erroneous outputs, known as hallucinations, due to their limitations in discerning questions beyond their knowledge scope. While addressing hallucination has been a focal point in research, previous efforts primarily concentrate on enhancing correctness without giving due consideration to the significance of rejection mechanisms. In this paper, we conduct a comprehensive examination of the role of rejection, introducing the notion of model reliability along with corresponding metrics. These metrics measure the model's ability to provide accurate responses while adeptly rejecting questions exceeding its knowledge boundaries, thereby minimizing hallucinations. To improve the inherent reliability of LLMs, we present a novel alignment framework called Reinforcement Learning from Knowledge Feedback (RLKF). RLKF leverages knowledge feedback to dynamically determine the model's knowledge boundary and trains a reliable reward model to encourage the refusal of out-of-knowledge questions. Experimental results on mathematical questions affirm the substantial efficacy of RLKF in significantly enhancing LLM reliability.

Hongshen Xu, Zichen Zhu, Lei Pan et al.

Large Language Models (LLMs) have expanded their capabilities beyond language generation to interact with external tools, enabling automation and real-world applications. However, tool hallucinations, where models either select inappropriate tools or misuse them, pose significant challenges, leading to erroneous task execution, increased computational costs, and reduced system reliability. To systematically address this issue, we define and categorize tool hallucinations into two main types, tool selection hallucination and tool usage hallucination. To evaluate and mitigate these issues, we introduce RelyToolBench, which integrates specialized test cases and novel metrics to assess hallucination-aware task success and efficiency. Finally, we propose Relign, a reliability alignment framework that expands the tool-use action space to include indecisive actions, allowing LLMs to defer tool use, seek clarification, or adjust tool selection dynamically. Through extensive experiments, we demonstrate that Relign significantly reduces tool hallucinations, improves task reliability, and enhances the efficiency of LLM tool interactions.

Zichen Zhu, Hao Tang, Yansi Li et al.

Existing Multimodal Large Language Model (MLLM)-based agents face significant challenges in handling complex GUI (Graphical User Interface) interactions on devices. These challenges arise from the dynamic and structured nature of GUI environments, which integrate text, images, and spatial relationships, as well as the variability in action spaces across different pages and tasks. To address these limitations, we propose MobA, a novel MLLM-based mobile assistant system. MobA introduces an adaptive planning module that incorporates a reflection mechanism for error recovery and dynamically adjusts plans to align with the real environment contexts and action module's execution capacity. Additionally, a multifaceted memory module provides comprehensive memory support to enhance adaptability and efficiency. We also present MobBench, a dataset designed for complex mobile interactions. Experimental results on MobBench and AndroidArena demonstrate MobA's ability to handle dynamic GUI environments and perform complex mobile tasks.

Situo Zhang, Hankun Wang, Da Ma et al.

Speculative Decoding (SD) is a popular lossless technique for accelerating the inference of Large Language Models (LLMs). We show that the decoding speed of SD frameworks with static draft structures can be significantly improved by incorporating context-aware adaptive draft structures. However, current studies on adaptive draft structures are limited by their performance, modeling approaches, and applicability. In this paper, we introduce AdaEAGLE, the first SD framework that explicitly models adaptive draft structures. AdaEAGLE leverages the Lightweight Draft Length Predictor (LDLP) module to explicitly predict the optimal number of draft tokens during inference to guide the draft model. It achieves comparable speedup results without manual thresholds and allows for deeper, more specialized optimizations. Moreover, together with threshold-based strategies, AdaEAGLE achieves a $1.62\times$ speedup over the vanilla AR decoding and outperforms fixed-length SotA baseline while maintaining output quality.

Zichen Zhu, Yang Xu, Lu Chen et al.

The rapid development of multimodal large language models (MLLMs) raises the question of how they compare to human performance. While existing datasets often feature synthetic or overly simplistic tasks, some models have already surpassed human expert baselines. In this paper, we present MULTI, a Chinese multimodal dataset derived from authentic examination questions. Comprising over 18,000 carefully selected and refined questions, MULTI evaluates models using real-world examination standards, encompassing image-text comprehension, complex reasoning, and knowledge recall. Additionally, We also introduce MULTI-Elite, a 500-question selected hard subset, and MULTI-Extend with more than 4,500 external knowledge context pieces for testing in-context learning capabilities. Our evaluation highlights substantial room for MLLM advancement, with Qwen2-VL-72B achieving a 76.9% accuracy on MULTI and 53.1% on MULTI-Elite leading 25 evaluated models, compared to human expert baselines of 86.1% and 73.1%. MULTI serves not only as a robust evaluation platform but also paves the way for the development of expert-level AI.

Danyang Zhang, Situo Zhang, Ziyue Yang et al.

LLM-based (Large Language Model) GUI (Graphical User Interface) agents can potentially reshape our daily lives significantly. However, current LLM-based GUI agents suffer from the scarcity of high-quality training data owing to the difficulties of trajectory collection and reward annotation. Existing works have been exploring LLMs to collect trajectories for imitation learning or to offer reward signals for online RL training. However, the Outcome Reward Model (ORM) used in existing works cannot provide finegrained feedback and can over-penalize the valuable steps in finally failed trajectories. To this end, we propose Progress Reward Model (ProgRM) to provide dense informative intermediate rewards by predicting a task completion progress for each step in online training. To handle the challenge of progress reward label annotation, we further design an efficient LCS-based (Longest Common Subsequence) self-annotation algorithm to discover the key steps in trajectories and assign progress labels accordingly. ProgRM is evaluated with extensive experiments and analyses. Actors trained with ProgRM outperform leading proprietary LLMs and ORM-trained actors, illustrating the effectiveness of ProgRM. The codes for experiments will be made publicly available upon acceptance.

Hongshen Xu, Zihan Wang, Zichen Zhu et al.

Recent advancements in tool learning have enabled large language models (LLMs) to integrate external tools, enhancing their task performance by expanding their knowledge boundaries. However, relying on tools often introduces tradeoffs between performance, speed, and cost, with LLMs sometimes exhibiting overreliance and overconfidence in tool usage. This paper addresses the challenge of aligning LLMs with their knowledge boundaries to make more intelligent decisions about tool invocation. We propose a multi objective alignment framework that combines probabilistic knowledge boundary estimation with dynamic decision making, allowing LLMs to better assess when to invoke tools based on their confidence. Our framework includes two methods for knowledge boundary estimation, consistency based and absolute estimation, and two training strategies for integrating these estimates into the model decision making process. Experimental results on various tool invocation scenarios demonstrate the effectiveness of our framework, showing significant improvements in tool efficiency by reducing unnecessary tool usage.

Situo Zhang, Yifan Zhang, Zichen Zhu et al.

Charts are ubiquitous in scientific and financial literature for presenting structured data. However, chart reasoning remains challenging for multimodal large language models (MLLMs) due to the lack of high-quality training data, as well as the need for fine-grained visual grounding and precise numerical computation. To address these challenges, we first propose DuoChart, a scalable dual-source data pipeline that combines synthesized charts with real-world charts to construct diverse, high-quality chart training data. We then introduce CharTool, which equips MLLMs with external tools, including image cropping for localized visual perception and code-based computation for accurate numerical reasoning. Through agentic reinforcement learning on DuoChart, CharTool learns tool-integrated reasoning grounded in chart content. Extensive experiments on six chart benchmarks show that our method consistently improves over strong MLLM baselines across model scales. Notably, CharTool-7B outperforms the base model by **+8.0%** on CharXiv (Reasoning) and **+9.78%** on ChartQAPro, while achieving competitive performance with substantially larger or proprietary models. Moreover, CharTool demonstrates positive generalization to out-of-domain visual math reasoning benchmarks.

Zihan Zhao, Bo Chen, Ziping Wan et al.

While large language models (LLMs) have achieved impressive progress, their application in scientific domains such as chemistry remains hindered by shallow domain understanding and limited reasoning capabilities. In this work, we focus on the specific field of chemistry and develop a Chemical Reasoner LLM, ChemDFM-R. We first construct a comprehensive dataset of atomized knowledge points to enhance the model's understanding of the fundamental principles and logical structure of chemistry. Then, we propose a mix-sourced distillation strategy that integrates expert-curated knowledge with general-domain reasoning skills, followed by domain-specific reinforcement learning to enhance chemical reasoning. Experiments on diverse chemical benchmarks demonstrate that ChemDFM-R achieves cutting-edge performance while providing interpretable, rationale-driven outputs. Further case studies illustrate how explicit reasoning chains significantly improve the reliability, transparency, and practical utility of the model in real-world human-AI collaboration scenarios.

Situo Zhang, Yifan Zhang, Zichen Zhu et al.

Speculative decoding (SD) is a powerful technique for accelerating the inference process of large language models (LLMs) without sacrificing accuracy. Typically, SD employs a small draft model to generate a fixed number of draft tokens, which are then verified in parallel by the target model. However, our experiments reveal that the optimal draft length varies significantly across different decoding steps. This variation suggests that using a fixed draft length limits the potential for further improvements in decoding speed. To address this challenge, we propose Pacer, a novel approach that dynamically controls draft length using a lightweight, trainable pre-verification layer. This layer pre-verifies draft tokens blockwise before they are sent to the target model, allowing the draft model to stop token generation if the blockwise pre-verification fails. We implement Pacer on multiple SD model pairs and evaluate its performance across various benchmarks. Our results demonstrate that Pacer achieves up to 2.66x Speedup over autoregressive decoding and consistently outperforms standard speculative decoding. Furthermore, when integrated with Ouroboros, Pacer attains up to 3.09x Speedup.

Situo Zhang, Hanqi Li, Lu Chen et al.

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability. Traditional graph-based and sequence-to-sequence models often lack generalized chemical knowledge, leading to predictions that are neither consistently accurate nor easily explainable. To address these challenges, we introduce RetroDFM-R, a reasoning-based large language model (LLM) designed specifically for chemical retrosynthesis. Leveraging large-scale reinforcement learning guided by chemically verifiable rewards, RetroDFM-R significantly enhances prediction accuracy and explainability. Comprehensive evaluations demonstrate that RetroDFM-R significantly outperforms state-of-the-art methods, achieving a top-1 accuracy of 65.0% on the USPTO-50K benchmark. Double-blind human assessments further validate the chemical plausibility and practical utility of RetroDFM-R's predictions. RetroDFM-R also accurately predicts multistep retrosynthetic routes reported in the literature for both real-world drug molecules and perovskite materials. Crucially, the model's explicit reasoning process provides human-interpretable insights, thereby enhancing trust and practical value in real-world retrosynthesis applications.

Hongshen Xu, Zixv yang, Zichen Zhu et al.

Large Language Models often generate factually incorrect but plausible outputs, known as hallucinations. We identify a more insidious phenomenon, LLM delusion, defined as high belief hallucinations, incorrect outputs with abnormally high confidence, making them harder to detect and mitigate. Unlike ordinary hallucinations, delusions persist with low uncertainty, posing significant challenges to model reliability. Through empirical analysis across different model families and sizes on several Question Answering tasks, we show that delusions are prevalent and distinct from hallucinations. LLMs exhibit lower honesty with delusions, which are harder to override via finetuning or self reflection. We link delusion formation with training dynamics and dataset noise and explore mitigation strategies such as retrieval augmented generation and multi agent debating to mitigate delusions. By systematically investigating the nature, prevalence, and mitigation of LLM delusions, our study provides insights into the underlying causes of this phenomenon and outlines future directions for improving model reliability.

Shenyu Zhang, Zichen Zhu, Qingquan Bao

Existing Human-Object Interaction (HOI) Detection approaches have achieved great progress on nonrare classes while rare HOI classes are still not well-detected. In this paper, we intend to apply human prior knowledge into the existing work. So we add human-labeled rules to PaStaNet and propose Rb-PaStaNet aimed at improving rare HOI classes detection. Our results show a certain improvement of the rare classes, while the non-rare classes and the overall improvement is more considerable.

Stratos Idreos, Niv Dayan, Wilson Qin et al.

We introduce the concept of design continuums for the data layout of key-value stores. A design continuum unifies major distinct data structure designs under the same model. The critical insight and potential long-term impact is that such unifying models 1) render what we consider up to now as fundamentally different data structures to be seen as views of the very same overall design space, and 2) allow seeing new data structure designs with performance properties that are not feasible by existing designs. The core intuition behind the construction of design continuums is that all data structures arise from the very same set of fundamental design principles, i.e., a small set of data layout design concepts out of which we can synthesize any design that exists in the literature as well as new ones. We show how to construct, evaluate, and expand, design continuums and we also present the first continuum that unifies major data structure designs, i.e., B+tree, B-epsilon-tree, LSM-tree, and LSH-table. The practical benefit of a design continuum is that it creates a fast inference engine for the design of data structures. For example, we can predict near instantly how a specific design change in the underlying storage of a data system would affect performance, or reversely what would be the optimal data structure (from a given set of designs) given workload characteristics and a memory budget. In turn, these properties allow us to envision a new class of self-designing key-value stores with a substantially improved ability to adapt to workload and hardware changes by transitioning between drastically different data structure designs to assume a diverse set of performance properties at will.