Qianli Shen

Zheyuan Hu, Nazanin Ahmadi Daryakenari, Qianli Shen et al.

Physics-informed machine learning (PIML) has emerged as a promising alternative to classical methods for predicting dynamical systems, offering faster and more generalizable solutions. However, existing models, including recurrent neural networks (RNNs), transformers, and neural operators, face challenges such as long-time integration, long-range dependencies, chaotic dynamics, and extrapolation, to name a few. To this end, this paper introduces state-space models implemented in Mamba for accurate and efficient dynamical system operator learning. Mamba addresses the limitations of existing architectures by dynamically capturing long-range dependencies and enhancing computational efficiency through reparameterization techniques. To extensively test Mamba and compare against another 11 baselines, we introduce several strict extrapolation testbeds that go beyond the standard interpolation benchmarks. We demonstrate Mamba's superior performance in both interpolation and challenging extrapolation tasks. Mamba consistently ranks among the top models while maintaining the lowest computational cost and exceptional extrapolation capabilities. Moreover, we demonstrate the good performance of Mamba for a real-world application in quantitative systems pharmacology for assessing the efficacy of drugs in tumor growth under limited data scenarios. Taken together, our findings highlight Mamba's potential as a powerful tool for advancing scientific machine learning in dynamical systems modeling. (The code will be available at https://github.com/zheyuanhu01/State_Space_Model_Neural_Operator upon acceptance.)

Dianbo Liu, Moksh Jain, Bonaventure Dossou et al. · mila

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.

Xiang Li, Qianli Shen, Kenji Kawaguchi

The booming use of text-to-image generative models has raised concerns about their high risk of producing copyright-infringing content. While probabilistic copyright protection methods provide a probabilistic guarantee against such infringement, in this paper, we introduce Virtually Assured Amplification Attack (VA3), a novel online attack framework that exposes the vulnerabilities of these protection mechanisms. The proposed framework significantly amplifies the probability of generating infringing content on the sustained interactions with generative models and a non-trivial lower-bound on the success probability of each engagement. Our theoretical and experimental results demonstrate the effectiveness of our approach under various scenarios. These findings highlight the potential risk of implementing probabilistic copyright protection in practical applications of text-to-image generative models. Code is available at https://github.com/South7X/VA3.

Chen Chen, Hongyao Tang, Yi Ma et al.

Pessimism is of great importance in offline reinforcement learning (RL). One broad category of offline RL algorithms fulfills pessimism by explicit or implicit behavior regularization. However, most of them only consider policy divergence as behavior regularization, ignoring the effect of how the offline state distribution differs with that of the learning policy, which may lead to under-pessimism for some states and over-pessimism for others. Taking account of this problem, we propose a principled algorithmic framework for offline RL, called \emph{State-Aware Proximal Pessimism} (SA-PP). The key idea of SA-PP is leveraging discounted stationary state distribution ratios between the learning policy and the offline dataset to modulate the degree of behavior regularization in a state-wise manner, so that pessimism can be implemented in a more appropriate way. We first provide theoretical justifications on the superiority of SA-PP over previous algorithms, demonstrating that SA-PP produces a lower suboptimality upper bound in a broad range of settings. Furthermore, we propose a new algorithm named \emph{State-Aware Conservative Q-Learning} (SA-CQL), by building SA-PP upon representative CQL algorithm with the help of DualDICE for estimating discounted stationary state distribution ratios. Extensive experiments on standard offline RL benchmark show that SA-CQL outperforms the popular baselines on a large portion of benchmarks and attains the highest average return.

Bingning Wang, Haizhou Zhao, Huozhi Zhou et al.

The current generation of large language models (LLMs) is typically designed for broad, general-purpose applications, while domain-specific LLMs, especially in vertical fields like medicine, remain relatively scarce. In particular, the development of highly efficient and practical LLMs for the medical domain is challenging due to the complexity of medical knowledge and the limited availability of high-quality data. To bridge this gap, we introduce Baichuan-M1, a series of large language models specifically optimized for medical applications. Unlike traditional approaches that simply continue pretraining on existing models or apply post-training to a general base model, Baichuan-M1 is trained from scratch with a dedicated focus on enhancing medical capabilities. Our model is trained on 20 trillion tokens and incorporates a range of effective training methods that strike a balance between general capabilities and medical expertise. As a result, Baichuan-M1 not only performs strongly across general domains such as mathematics and coding but also excels in specialized medical fields. We have open-sourced Baichuan-M1-14B, a mini version of our model, which can be accessed through the following links.

Qianli Shen, Daoyuan Chen, Yilun Huang et al.

Reinforcement finetuning (RFT) is a key technique for aligning Large Language Models (LLMs) with human preferences and enhancing reasoning, yet its effectiveness is highly sensitive to which tasks are explored during training. Uniform task sampling is inefficient, wasting computation on tasks that are either trivial or unsolvable, while existing task selection methods often suffer from high rollout costs, poor adaptivity, or incomplete evidence. We introduce BOTS, a unified framework for Bayesian Online Task Selection in LLM reinforcement finetuning. Grounded in Bayesian inference, BOTS adaptively maintains posterior estimates of task difficulty as the model evolves. It jointly incorporates explicit evidence from direct evaluations of selected tasks and implicit evidence inferred from these evaluations for unselected tasks, with Thompson sampling ensuring a principled balance between exploration and exploitation. To make implicit evidence practical, we instantiate it with an ultra-light interpolation-based plug-in that estimates difficulties of unevaluated tasks without extra rollouts, adding negligible overhead. Empirically, across diverse domains and LLM scales, BOTS consistently improves data efficiency and performance over baselines and ablations, providing a practical and extensible solution for dynamic task selection in RFT.

Qianli Shen, Wai Hoh Tang, Zhun Deng et al.

Standard approaches for uncertainty quantification in deep learning and physics-informed learning have persistent limitations. Indicatively, strong assumptions regarding the data likelihood are required, the performance highly depends on the selection of priors, and the posterior can be sampled only approximately, which leads to poor approximations because of the associated computational cost. This paper introduces and studies confidence interval (CI) estimation for deterministic partial differential equations as a novel problem. That is, to propagate confidence, in the form of CIs, from data locations to the entire domain with probabilistic guarantees. We propose a method, termed Physics-Informed Confidence Propagation (PICProp), based on bi-level optimization to compute a valid CI without making heavy assumptions. We provide a theorem regarding the validity of our method, and computational experiments, where the focus is on physics-informed learning.

Zhenqing Ling, Daoyuan Chen, Liuyi Yao et al.

Fine-tuning large language models (LLMs) using diverse datasets is crucial for enhancing their overall performance across various domains. In practical scenarios, existing methods based on modeling the mixture proportions of data composition often struggle with data whose domain labels are missing, imprecise or non-normalized, while methods based on data selection usually encounter difficulties in balancing multi-domain performance. To address these challenges, in this work, we investigate the role of data diversity in enhancing the overall abilities of LLMs by empirically constructing contrastive data pools and theoretically deriving explanations. Building upon the insights gained, we propose a new method that gives the LLM a dual identity: an output model to cognitively probe and select data based on diversity reward, as well as an input model to be tuned with the selected data. Extensive experiments show that the proposed method notably boosts performance across domain-undetermined data and a series of foundational downstream tasks when applied to various advanced LLMs. We release our code and hope this study can shed light on the understanding of data diversity and advance feedback-driven data-model co-design for LLMs.

Qianli Shen, Yezhen Wang, Zhouhao Yang et al.

Bi-level optimization (BO) has become a fundamental mathematical framework for addressing hierarchical machine learning problems. As deep learning models continue to grow in size, the demand for scalable bi-level optimization solutions has become increasingly critical. Traditional gradient-based bi-level optimization algorithms, due to their inherent characteristics, are ill-suited to meet the demands of large-scale applications. In this paper, we introduce $\textbf{F}$orward $\textbf{G}$radient $\textbf{U}$nrolling with $\textbf{F}$orward $\textbf{F}$radient, abbreviated as $(\textbf{FG})^2\textbf{U}$, which achieves an unbiased stochastic approximation of the meta gradient for bi-level optimization. $(\text{FG})^2\text{U}$ circumvents the memory and approximation issues associated with classical bi-level optimization approaches, and delivers significantly more accurate gradient estimates than existing large-scale bi-level optimization approaches. Additionally, $(\text{FG})^2\text{U}$ is inherently designed to support parallel computing, enabling it to effectively leverage large-scale distributed computing systems to achieve significant computational efficiency. In practice, $(\text{FG})^2\text{U}$ and other methods can be strategically placed at different stages of the training process to achieve a more cost-effective two-phase paradigm. Further, $(\text{FG})^2\text{U}$ is easy to implement within popular deep learning frameworks, and can be conveniently adapted to address more challenging zeroth-order bi-level optimization scenarios. We provide a thorough convergence analysis and a comprehensive practical discussion for $(\text{FG})^2\text{U}$, complemented by extensive empirical evaluations, showcasing its superior performance in diverse large-scale bi-level optimization tasks. Code is available at https://github.com/ShenQianli/FG2U.

Haonan Wang, Qianli Shen, Yao Tong et al.

The commercialization of text-to-image diffusion models (DMs) brings forth potential copyright concerns. Despite numerous attempts to protect DMs from copyright issues, the vulnerabilities of these solutions are underexplored. In this study, we formalized the Copyright Infringement Attack on generative AI models and proposed a backdoor attack method, SilentBadDiffusion, to induce copyright infringement without requiring access to or control over training processes. Our method strategically embeds connections between pieces of copyrighted information and text references in poisoning data while carefully dispersing that information, making the poisoning data inconspicuous when integrated into a clean dataset. Our experiments show the stealth and efficacy of the poisoning data. When given specific text prompts, DMs trained with a poisoning ratio of 0.20% can produce copyrighted images. Additionally, the results reveal that the more sophisticated the DMs are, the easier the success of the attack becomes. These findings underline potential pitfalls in the prevailing copyright protection strategies and underscore the necessity for increased scrutiny to prevent the misuse of DMs.

Xiang Li, Qianli Shen, Haonan Wang et al.

Recent generative models face significant risks of producing harmful content, which has underscored the importance of machine unlearning (MU) as a critical technique for eliminating the influence of undesired data. However, existing MU methods typically assign the same weight to all data to be forgotten, which makes it difficult to effectively forget certain data that is harder to unlearn than others. In this paper, we empirically demonstrate that the loss of data itself can implicitly reflect its varying difficulty. Building on this insight, we introduce Loss-based Reweighting Unlearning (LoReUn), a simple yet effective plug-and-play strategy that dynamically reweights data during the unlearning process with minimal additional computational overhead. Our approach significantly reduces the gap between existing MU methods and exact unlearning in both image classification and generation tasks, effectively enhancing the prevention of harmful content generation in text-to-image diffusion models.

Qianli Shen, Yan Li, Haoming Jiang et al.

Deep reinforcement learning (RL) has achieved great empirical successes in various domains. However, the large search space of neural networks requires a large amount of data, which makes the current RL algorithms not sample efficient. Motivated by the fact that many environments with continuous state space have smooth transitions, we propose to learn a smooth policy that behaves smoothly with respect to states. We develop a new framework -- \textbf{S}mooth \textbf{R}egularized \textbf{R}einforcement \textbf{L}earning ($\textbf{SR}^2\textbf{L}$), where the policy is trained with smoothness-inducing regularization. Such regularization effectively constrains the search space, and enforces smoothness in the learned policy. Moreover, our proposed framework can also improve the robustness of policy against measurement error in the state space, and can be naturally extended to distribubutionally robust setting. We apply the proposed framework to both on-policy (TRPO) and off-policy algorithm (DDPG). Through extensive experiments, we demonstrate that our method achieves improved sample efficiency and robustness.