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Haowei Lin

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9 papers

2 author rows

ICLR Conference 2025 Conference Paper

GROOT-2: Weakly Supervised Multimodal Instruction Following Agents

Shaofei Cai
Bowei Zhang 0007
Zihao Wang
Haowei Lin
Xiaojian Ma 0001
Anji Liu
Yitao Liang

Developing agents that can follow multimodal instructions remains a fundamental challenge in robotics and AI. Although large-scale pre-training on unlabeled datasets has enabled agents to learn diverse behaviors, these agents often struggle with following instructions. While augmenting the dataset with instruction labels can mitigate this issue, acquiring such high-quality annotations at scale is impractical. To address this issue, we frame the problem as a semi-supervised learning task and introduce \agent, a multimodal instructable agent trained using a novel approach that combines weak supervision with latent variable models. Our method consists of two key components: constrained self-imitating, which utilizes large amounts of unlabeled demonstrations to enable the policy to learn diverse behaviors, and human intention alignment, which uses a smaller set of labeled demonstrations to ensure the latent space reflects human intentions. \agent’s effectiveness is validated across four diverse environments, ranging from video games to robotic manipulation, demonstrating its robust multimodal instruction-following capabilities.

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ICLR Conference 2025 Conference Paper

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows

Xiangxin Zhou
Yi Xiao
Haowei Lin
Xinheng He
Jiaqi Guan
Yang Wang 0103
Qiang Liu 0006
Feng Zhou

The dynamic nature of proteins, influenced by ligand interactions, is essential for comprehending protein function and progressing drug discovery. Traditional structure-based drug design (SBDD) approaches typically target binding sites with rigid structures, limiting their practical application in drug development. While molecular dynamics simulation can theoretically capture all the biologically relevant conformations, the transition rate is dictated by the intrinsic energy barrier between them, making the sampling process computationally expensive. To overcome the aforementioned challenges, we propose to use generative modeling for SBDD considering conformational changes of protein pockets. We curate a dataset of apo and multiple holo states of protein-ligand complexes, simulated by molecular dynamics, and propose a full-atom flow model (and a stochastic version), named DynamicFlow, that learns to transform apo pockets and noisy ligands into holo pockets and corresponding 3D ligand molecules. Our method uncovers promising ligand molecules and corresponding holo conformations of pockets. Additionally, the resultant holo-like states provide superior inputs for traditional SBDD approaches, playing a significant role in practical drug discovery.

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ICML Conference 2025 Conference Paper

MCU: An Evaluation Framework for Open-Ended Game Agents

Xinyue Zheng
Haowei Lin
Kaichen He
Zihao Wang
Qiang Fu 0016
Haobo Fu
Zilong Zheng
Yitao Liang

Developing AI agents capable of interacting with open-world environments to solve diverse tasks is a compelling challenge. However, evaluating such open-ended agents remains difficult, with current benchmarks facing scalability limitations. To address this, we introduce Minecraft Universe (MCU), a comprehensive evaluation framework set within the open-world video game Minecraft. MCU incorporates three key components: (1) an expanding collection of 3, 452 composable atomic tasks that encompasses 11 major categories and 41 subcategories of challenges; (2) a task composition mechanism capable of generating infinite diverse tasks with varying difficulty; and (3) a general evaluation framework that achieves 91. 5% alignment with human ratings for open-ended task assessment. Empirical results reveal that even state-of-the-art foundation agents struggle with the increasing diversity and complexity of tasks. These findings highlight the necessity of MCU as a robust benchmark to drive progress in AI agent development within open-ended environments. Our evaluation code and scripts are available at https: //github. com/CraftJarvis/MCU.

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ICLR Conference 2025 Conference Paper

TFG-Flow: Training-free Guidance in Multimodal Generative Flow

Haowei Lin
Shanda Li
Haotian Ye
Yiming Yang
Stefano Ermon
Yitao Liang
Jianzhu Ma

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible outcomes, training-free guidance has gained increasing attention in diffusion models. However, existing methods only handle data in continuous spaces, while many scientific applications involve both continuous and discrete data (referred to as multimodality). Another emerging trend is the growing use of the simple and general flow matching framework in building generative foundation models, where guided generation remains under-explored. To address this, we introduce TFG-Flow, a novel training-free guidance method for multimodal generative flow. TFG-Flow addresses the curse-of-dimensionality while maintaining the property of unbiased sampling in guiding discrete variables. We validate TFG-Flow on four molecular design tasks and show that TFG-Flow has great potential in drug design by generating molecules with desired properties.

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ICLR Conference 2024 Conference Paper

Class Incremental Learning via Likelihood Ratio Based Task Prediction

Haowei Lin
Yijia Shao
Weinan Qian
Ningxin Pan
Yiduo Guo
Bing Liu 0001

Class incremental learning (CIL) is a challenging setting of continual learning, which learns a series of tasks sequentially. Each task consists of a set of unique classes. The key feature of CIL is that no task identifier (or task-id) is provided at test time. Predicting the task-id for each test sample is a challenging problem. An emerging theory-guided approach (called TIL+OOD) is to train a task-specific model for each task in a shared network for all tasks based on a task-incremental learning (TIL) method to deal with catastrophic forgetting. The model for each task is an out-of-distribution (OOD) detector rather than a conventional classifier. The OOD detector can perform both within-task (in-distribution (IND)) class prediction and OOD detection. The OOD detection capability is the key to task-id prediction during inference. However, this paper argues that using a traditional OOD detector for task-id prediction is sub-optimal because additional information (e.g., the replay data and the learned tasks) available in CIL can be exploited to design a better and principled method for task-id prediction. We call the new method TPL (Task-id Prediction based on Likelihood Ratio). TPL markedly outperforms strong CIL baselines and has negligible catastrophic forgetting. The code of TPL is publicly available at https://github.com/linhaowei1/TPL.

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NeurIPS Conference 2024 Conference Paper

OmniJARVIS: Unified Vision-Language-Action Tokenization Enables Open-World Instruction Following Agents

Zihao Wang
Shaofei Cai
Zhancun Mu
Haowei Lin
Ceyao Zhang
Xuejie Liu
Qing Li
Anji Liu

This paper presents OmniJARVIS, a novel Vision-Language-Action (VLA) model for open-world instruction-following agents in Minecraft. Compared to prior works that either emit textual goals to separate controllers or produce the control command directly, OmniJARVIS seeks a different path to ensure both strong reasoning and efficient decision-making capabilities via unified tokenization of multimodal interaction data. First, we introduce a self-supervised approach to learn a behavior encoder that produces discretized tokens for behavior trajectories $\tau = \{o_0, a_0, \dots\}$ and an imitation learning policy decoder conditioned on these tokens. These additional behavior tokens will be augmented to the vocabulary of pretrained Multimodal Language Models. With this encoder, we then pack long-term multimodal interactions involving task instructions, memories, thoughts, observations, textual responses, behavior trajectories, etc into unified token sequences and model them with autoregressive transformers. Thanks to the semantically meaningful behavior tokens, the resulting VLA model, OmniJARVIS, can reason (by producing chain-of-thoughts), plan, answer questions, and act (by producing behavior tokens for the imitation learning policy decoder). OmniJARVIS demonstrates excellent performances on a comprehensive collection of atomic, programmatic, and open-ended tasks in open-world Minecraft. Our analysis further unveils the crucial design principles in interaction data formation, unified tokenization, and its scaling potentials. The dataset, models, and code will be released at https: //craftjarvis. org/OmniJARVIS.

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ICML Conference 2024 Conference Paper

Selecting Large Language Model to Fine-tune via Rectified Scaling Law

Haowei Lin
Baizhou Huang
Haotian Ye
Qinyu Chen
Zihao Wang
Sujian Li
Jianzhu Ma
Xiaojun Wan 0001

The ever-growing ecosystem of LLMs has posed a challenge in selecting the most appropriate pre-trained model to fine-tune amidst a sea of options. Given constrained resources, fine-tuning all models and making selections afterward is unrealistic. In this work, we formulate this resource-constrained selection task into predicting fine-tuning performance and illustrate its natural connection with Scaling Law. Unlike pre-training, we find that the fine-tuning scaling curve includes not just the well-known "power phase" but also the previously unobserved "pre-power phase". We also explain why existing Scaling Law fails to capture this phase transition phenomenon both theoretically and empirically. To address this, we introduce the concept of "pre-learned data size" into our Rectified Scaling Law, which overcomes theoretical limitations and fits experimental results much better. By leveraging our law, we propose a novel LLM selection algorithm that selects the near-optimal model with hundreds of times less resource consumption, while other methods may provide negatively correlated selection. The project page is available at rectified-scaling-law. github. io.

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NeurIPS Conference 2024 Conference Paper

TFG: Unified Training-Free Guidance for Diffusion Models

Haotian Ye
Haowei Lin
Jiaqi Han
Minkai Xu
Sheng Liu
Yitao Liang
Jianzhu Ma
James Zou

Given an unconditional diffusion model and a predictor for a target property of interest (e. g. , a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8. 5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

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ICLR Conference 2023 Conference Paper

Continual Pre-training of Language Models

Zixuan Ke
Yijia Shao
Haowei Lin
Tatsuya Konishi
Gyuhak Kim
Bing Liu 0001

Language models (LMs) have been instrumental for the rapid advance of natural language processing. This paper studies continual pre-training of LMs, in particular, continual domain-adaptive pre-training (or continual DAP-training). Existing research has shown that further pre-training an LM using a domain corpus to adapt the LM to the domain can improve the end-task performance in the domain. This paper proposes a novel method to continually DAP-train an LM with a sequence of unlabeled domain corpora to adapt the LM to these domains to improve their end-task performances. The key novelty of our method is a soft-masking mechanism that directly controls the update to the LM. A novel proxy is also proposed to preserve the general knowledge in the original LM. Additionally, it contrasts the representations of the previously learned domain knowledge (including the general knowledge in the pre-trained LM) and the knowledge from the current full network to achieve knowledge integration. The method not only overcomes catastrophic forgetting, but also achieves knowledge transfer to improve end-task performances. Empirical evaluation demonstrates the effectiveness of the proposed method.

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