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Social Aspects · Privacy-preserving Statistics and Machine Learning

XiaoHua Feng, Yuyuan Li, Chaochao Chen, Li Zhang, Li, JUN ZHOU, Xiaolin Zheng

While generative models have made significant advancements in recent years, they also raise concerns such as privacy breaches and biases. Machine unlearning has emerged as a viable solution, aiming to remove specific training data, e.g., containing private information and bias, from models. In this paper, we study the machine unlearning problem in Image-to-Image (I2I) generative models. Previous studies mainly treat it as a single objective optimization problem, offering a solitary solution, thereby neglecting the varied user expectations towards the trade-off between complete unlearning and model utility. To address this issue, we propose a controllable unlearning framework that uses a control coefficient $\epsilon$ to control the trade-off. We reformulate the I2I generative model unlearning problem into a $\epsilon$-constrained optimization problem and solve it with a gradient-based method to find optimal solutions for unlearning boundaries. These boundaries define the valid range for the control coefficient. Within this range, every yielded solution is theoretically guaranteed with Pareto optimality. We also analyze the convergence rate of our framework under various control functions. Extensive experiments on two benchmark datasets across three mainstream I2I models demonstrate the effectiveness of our controllable unlearning framework.

Haofu Qian, Chenjia Bai, Jiatao Zhang, Fei Wu, Wei Song, Xuelong Li

Large Language Models (LLMs) have showcased remarkable reasoning capabilities in various domains, yet face challenges in complex embodied tasks due to the need for a coherent long-term policy and context-sensitive environmental understanding. Previous work performed LLM refinement relying on outcome-supervised feedback, which can be costly and ineffective. In this work, we introduce a novel framework, Discriminator-Guided Action Optimization (DGAP), for facilitating the optimization of LLM action plans via step-wise signals. Specifically, we employ a limited set of demonstrations to enable the discriminator to learn a score function, which assesses the alignment between LLM-generated actions and the underlying optimal ones at every step. Based on the discriminator, LLMs are prompted to generate actions that maximize the score, utilizing historical action-score pair trajectories as guidance. Under mild conditions, DGAP resembles critic-regularized optimization and has been demonstrated to achieve a stronger policy than the LLM planner. In experiments across different LLMs (GPT-4, Llama3-70B) in ScienceWorld and VirtualHome, our method achieves superior performance and better efficiency than previous methods.

Applications · Computer Vision

Zeyu Yang, Zijie Pan, Chun Gu, Li Zhang

Recent advancements in 3D generation are predominantly propelled by improvements in 3D-aware image diffusion models. These models are pretrained on Internet-scale image data and fine-tuned on massive 3D data, offering the capability of producing highly consistent multi-view images. However, due to the scarcity of synchronized multi-view video data, it remains challenging to adapt this paradigm to 4D generation directly. Despite that, the available video and 3D data are adequate for training video and multi-view diffusion models separately that can provide satisfactory dynamic and geometric priors respectively. To take advantage of both, this paper presents Diffusion$^2$, a novel framework for dynamic 3D content creation that reconciles the knowledge about geometric consistency and temporal smoothness from these models to directly sample dense multi-view multi-frame images which can be employed to optimize continuous 4D representation. Specifically, we design a simple yet effective denoising strategy via score composition of pretrained video and multi-view diffusion models based on the probability structure of the target image array. To alleviate the potential conflicts between two heterogeneous scores, we further introduce variance-reducing sampling via interpolated steps, facilitating smooth and stable generation. Owing to the high parallelism of the proposed image generation process and the efficiency of the modern 4D reconstruction pipeline, our framework can generate 4D content within few minutes. Notably, our method circumvents the reliance on expensive and hard-to-scale 4D data, thereby having the potential to benefit from the scaling of the foundation video and multi-view diffusion models. Extensive experiments demonstrate the efficacy of our proposed framework in generating highly seamless and consistent 4D assets under various types of conditions.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Tianchi Xie, Jiangning Zhu, Guozu Ma, Minzhi Lin, Wei Chen, Weikai Yang, Shixia Liu

Sample selection improves the efficiency and effectiveness of machine learning models by providing informative and representative samples. Typically, samples can be modeled as a sample graph, where nodes are samples and edges represent their similarities. Most existing methods are based on local information, such as the training difficulty of samples, thereby overlooking global information, such as connectivity patterns. This oversight can result in suboptimal selection because global information is crucial for ensuring that the selected samples well represent the structural properties of the graph. To address this issue, we employ structural entropy to quantify global information and losslessly decompose it from the whole graph to individual nodes using the Shapley value. Based on the decomposition, we present $\textbf{S}$tructural-$\textbf{E}$ntropy-based sample $\textbf{S}$election ($\textbf{SES}$), a method that integrates both global and local information to select informative and representative samples. SES begins by constructing a $k$NN-graph among samples based on their similarities. It then measures sample importance by combining structural entropy (global metric) with training difficulty (local metric). Finally, SES applies importance-biased blue noise sampling to select a set of diverse and representative samples. Comprehensive experiments on three learning scenarios --- supervised learning, active learning, and continual learning --- clearly demonstrate the effectiveness of our method.

Deep Learning · Large Language Models

Sreyan Ghosh, Chandra Kiran Evuru, Sonal Kumar, Utkarsh Tyagi, Oriol Nieto, Zeyu Jin, Dinesh Manocha

Large Vision-Language Models (LVLMs) often produce responses that misalign with factual information, a phenomenon known as hallucinations. While hallucinations are well-studied, the exact causes behind them remain underexplored. In this paper, we first investigate the root causes of hallucinations in LVLMs. Our findings reveal that existing mitigation techniques primarily reduce hallucinations for visual recognition prompts—those that require simple descriptions of visual elements—but fail for cognitive prompts that demand deliberate reasoning. We identify the core issue as a lack of true visual perception in LVLMs: although they can accurately recognize visual elements, they struggle to fully interpret these elements in the context of the input prompt and effectively link this recognition to their internal knowledge, which is critical for reasoning. To address this gap, we introduce Visual Description Grounded Decoding (VDGD), a simple, robust, and training-free method designed to enhance visual perception and improve reasoning capabilities in LVLMs. VDGD works by first generating a detailed description of the image and appending it as a prefix to the instruction. During response generation, tokens are sampled based on their KL divergence to the description, favoring candidates with lower divergence. Experimental results on multiple visual reasoning benchmarks and LVLMs demonstrate that VDGD consistently outperforms existing baselines 2% - 33%. Finally, we introduce VaLLu, a benchmark designed for comprehensive evaluation of the cognitive capabilities of LVLMs.

Zhijing Jin, Max Kleiman-Weiner, Giorgio Piatti, Sydney Levine, Jiarui Liu, Fernando Gonzalez Adauto, Francesco Ortu, András Strausz, Mrinmaya Sachan, Rada Mihalcea 等

We evaluate the moral alignment of large language models (LLMs) with human preferences in multilingual trolley problems. Building on the Moral Machine experiment, which captures over 40 million human judgments across 200+ countries, we develop a cross-lingual corpus of moral dilemma vignettes in over 100 languages called MultiTP. This dataset enables the assessment of LLMs' decision-making processes in diverse linguistic contexts. Our analysis explores the alignment of 19 different LLMs with human judgments, capturing preferences across six moral dimensions: species, gender, fitness, status, age, and the number of lives involved. By correlating these preferences with the demographic distribution of language speakers and examining the consistency of LLM responses to various prompt paraphrasings, our findings provide insights into cross-lingual and ethical biases of LLMs and their intersection. We discover significant variance in alignment across languages, challenging the assumption of uniform moral reasoning in AI systems and highlighting the importance of incorporating diverse perspectives in AI ethics. The results underscore the need for further research on the integration of multilingual dimensions in responsible AI research to ensure fair and equitable AI interactions worldwide.

Reinforcement Learning

Zijian Guo, Weichao Zhou, Shengao Wang, Wenchao Li

Offline safe reinforcement learning (OSRL) aims to learn policies with high rewards while satisfying safety constraints solely from data collected offline. However, the learned policies often struggle to handle states and actions that are not present or out-of-distribution (OOD) from the offline dataset, which can result in violation of the safety constraints or overly conservative behaviors during their online deployment. Moreover, many existing methods are unable to learn policies that can adapt to varying constraint thresholds. To address these challenges, we propose constraint-conditioned actor-critic (CCAC), a novel OSRL method that models the relationship between state-action distributions and safety constraints, and leverages this relationship to regularize critics and policy learning. CCAC learns policies that can effectively handle OOD data and adapt to varying constraint thresholds. Empirical evaluations on the $\texttt{DSRL}$ benchmarks show that CCAC significantly outperforms existing methods for learning adaptive, safe, and high-reward policies.

Deep Learning · Large Language Models

Sinan Fan, Liang Xie, Chen Shen, Ge Teng, Xiaosong Yuan, Xiaofeng Zhang, Chenxi Huang, Wenxiao Wang, Xiaofei He, Jieping Ye

Prompt Tuning (PT) has emerged as a promising Parameter-Efficient Fine-Tuning (PEFT) approach by appending trainable continuous prompt vectors to the input, maintaining competitive performance with significantly fewer trainable parameters. While PT has shown effectiveness in enhancing task performance, particularly for classification tasks, its application to complex reasoning tasks has been largely overlooked. Our investigation reveals that PT provides limited improvement and may even degrade performance in reasoning tasks. This phenomenon suggests that soft prompts can positively impact certain instances while negatively affecting others, particularly during the latter stages of reasoning.To address these challenges, we propose a novel method called Dynamic Prompt Corruption (DPC), which seeks to optimize the use of soft prompts in reasoning tasks. DPC dynamically adjusts the influence of soft prompts based on their impact on the reasoning process. Specifically, it involves two key components: Dynamic Trigger and Dynamic Corruption. Dynamic Trigger measures the influence of soft prompts, determining whether their impact is beneficial or detrimental. Dynamic Corruption mitigates the negative effects of soft prompts by selectively masking key tokens that interfere with the reasoning process.We validate our approach through extensive experiments on various large language models (LLMs) and reasoning tasks, including GSM8K, MATH, and AQuA. The results demonstrate that Dynamic Prompt Corruption consistently improves the performance of LLMs, achieving 4\%-8\% accuracy gains compared to standard prompt tuning. These findings highlight the effectiveness of our approach and its potential to enhance complex reasoning in LLMs.

Deep Learning · Large Language Models

Shaotian Yan, Chen Shen, Wenxiao Wang, Liang Xie, Junjie Liu, Jieping Ye

Few-shot Chain-of-Thought (CoT) significantly enhances the reasoning capabilities of large language models (LLMs), functioning as a whole to guide these models in generating reasoning steps toward final answers. However, we observe that isolated segments, words, or tokens within CoT demonstrations can unexpectedly disrupt the generation process of LLMs. The model may overly concentrate on certain local information present in the demonstration, introducing irrelevant noise into the reasoning process and potentially leading to incorrect answers. In this paper, we investigate the underlying mechanism of CoT through dynamically tracing and manipulating the inner workings of LLMs at each output step, which demonstrates that tokens exhibiting specific attention characteristics are more likely to induce the model to take things out of context; these tokens directly attend to the hidden states tied with prediction, without substantial integration of non-local information. Building upon these insights, we propose a Few-shot Attention Intervention method (FAI) that dynamically analyzes the attention patterns of demonstrations to accurately identify these tokens and subsequently make targeted adjustments to the attention weights to effectively suppress their distracting effect on LLMs. Comprehensive experiments across multiple benchmarks demonstrate consistent improvements over baseline methods, with a remarkable 5.91\% improvement on the AQuA dataset, further highlighting the effectiveness of FAI.

Deep Learning · Large Language Models

Zhanwei Zhang, Shizhao Sun, Wenxiao Wang, Deng Cai, Jiang Bian

Recently, there is a growing interest in creating computer-aided design (CAD) models based on user intent, known as controllable CAD generation. Existing work offers limited controllability and needs separate models for different types of control, reducing efficiency and practicality. To achieve controllable generation across all CAD construction hierarchies, such as sketch-extrusion, extrusion, sketch, face, loop and curve, we propose FlexCAD, a unified model by fine-tuning large language models (LLMs). First, to enhance comprehension by LLMs, we represent a CAD model as a structured text by abstracting each hierarchy as a sequence of text tokens. Second, to address various controllable generation tasks in a unified model, we introduce a hierarchy-aware masking strategy. Specifically, during training, we mask a hierarchy-aware field in the CAD text with a mask token. This field, composed of a sequence of tokens, can be set flexibly to represent various hierarchies. Subsequently, we ask LLMs to predict this masked field. During inference, the user intent is converted into a CAD text with a mask token replacing the part the user wants to modify, which is then fed into FlexCAD to generate new CAD models. Comprehensive experiments on public dataset demonstrate the effectiveness of FlexCAD in both generation quality and controllability.

Applications · Language, Speech and Dialog

Heming Xia, Yongqi Li, Jun Zhang, Cunxiao Du, Wenjie Li

Speculative decoding (SD) has emerged as a widely used paradigm to accelerate LLM inference without compromising quality. It works by first employing a compact model to draft multiple tokens efficiently and then using the target LLM to verify them in parallel. While this technique has achieved notable speedups, most existing approaches necessitate either additional parameters or extensive training to construct effective draft models, thereby restricting their applicability across different LLMs and tasks. To address this limitation, we explore a novel plug-and-play SD solution with layer-skipping, which skips intermediate layers of the target LLM as the compact draft model. Our analysis reveals that LLMs exhibit great potential for self-acceleration through layer sparsity and the task-specific nature of this sparsity. Building on these insights, we introduce SWIFT, an on-the-fly self-speculative decoding algorithm that adaptively selects intermediate layers of LLMs to skip during inference. SWIFT does not require auxiliary models or additional training, making it a plug-and-play solution for accelerating LLM inference across diverse input data streams. Our extensive experiments across a wide range of models and downstream tasks demonstrate that SWIFT can achieve over a $1.3\times$$\sim$$1.6\times$ speedup while preserving the original distribution of the generated text. We release our code in https://github.com/hemingkx/SWIFT.

Applications · Language, Speech and Dialog

Yuancheng Wang, Haoyue Zhan, Liwei Liu, Ruihong Zeng, Haotian Guo, Jiachen Zheng, Qiang Zhang, Xueyao Zhang, Shunsi Zhang, Zhizheng Wu

The recent large-scale text-to-speech (TTS) systems are usually grouped as autoregressive and non-autoregressive systems. The autoregressive systems implicitly model duration but exhibit certain deficiencies in robustness and lack of duration controllability. Non-autoregressive systems require explicit alignment information between text and speech during training and predict durations for linguistic units (e.g. phone), which may compromise their naturalness.In this paper, we introduce $\textbf{Mask}$ed $\textbf{G}$enerative $\textbf{C}$odec $\textbf{T}$ransformer (MaskGCT), a fully non-autoregressive TTS model that eliminates the need for explicit alignment information between text and speech supervision, as well as phone-level duration prediction. MaskGCT is a two-stage model: in the first stage, the model uses text to predict semantic tokens extracted from a speech self-supervised learning (SSL) model, and in the second stage, the model predicts acoustic tokens conditioned on these semantic tokens. MaskGCT follows the mask-and-predict learning paradigm. During training, MaskGCT learns to predict masked semantic or acoustic tokens based on given conditions and prompts. During inference, the model generates tokens of a specified length in a parallel manner. Experiments with 100K hours of in-the-wild speech demonstrate that MaskGCT outperforms the current state-of-the-art zero-shot TTS systems in terms of quality, similarity, and intelligibility. Audio samples are available at https://maskgct.github.io/. We release our code and model checkpoints at https://github.com/open-mmlab/Amphion/blob/main/models/tts/maskgct.

Applications · Chemistry and Drug Discovery

Hanlin Wu, Yuxuan Song, Jingjing Gong, Ziyao Cao, Yawen Ouyang, Jianbing Zhang, Hao Zhou, Wei-Ying Ma, Jingjing Liu

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song, et al.,2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., 200x speedup (10 v.s. 2000 steps network forwards) compared with previous Diffusion-based methods on MP-20 dataset.

Reinforcement Learning · Multi-agent

Yuqian Fu, Yuanheng Zhu, Jian Zhao, Jiajun Chai, Dongbin Zhao

Data scarcity in offline multi-agent reinforcement learning (MARL) is a key challenge for real-world applications. Recent advances in offline single-agent reinforcement learning (RL) demonstrate the potential of data synthesis to mitigate this issue.However, in multi-agent systems, interactions between agents introduce additional challenges. These interactions complicate the synthesis of multi-agent datasets, leading to data distortion when inter-agent interactions are neglected. Furthermore, the quality of the synthetic dataset is often constrained by the original dataset. To address these challenges, we propose **INteraction-aware Synthesis (INS)**, which synthesizes high-quality multi-agent datasets using diffusion models. Recognizing the sparsity of inter-agent interactions, INS employs a sparse attention mechanism to capture these interactions, ensuring that the synthetic dataset reflects the underlying agent dynamics. To overcome the limitation of diffusion models requiring continuous variables, INS implements a bit action module, enabling compatibility with both discrete and continuous action spaces. Additionally, we incorporate a select mechanism to prioritize transitions with higher estimated values, further enhancing the dataset quality. Experimental results across multiple datasets in MPE and SMAC environments demonstrate that INS consistently outperforms existing methods, resulting in improved downstream policy performance and superior dataset metrics. Notably, INS can synthesize high-quality data using only 10% of the original dataset, highlighting its efficiency in data-limited scenarios.

Deep Learning · Large Language Models

Jiabo Ye, Haiyang Xu, Haowei Liu, Anwen Hu, Ming Yan, Qi Qian, Ji Zhang, Fei Huang, Jingren Zhou

Multi-modal Large Language Models have demonstrated remarkable capabilities in executing instructions for a variety of single-image tasks. Despite this progress, significant challenges remain in modeling long image sequences. In this work, we introduce the versatile multi-modal large language model, mPLUG-Owl3, which enhances the capability for long image-sequence understanding in scenarios that incorporate retrieved image-text knowledge, multimodal in-context examples, and lengthy videos. Specifically, we propose novel hyper attention blocks to efficiently integrate vision and language into a common language-guided semantic space, thereby facilitating the processing of extended multi-image scenarios. We conduct evaluations on 21 benchmarks that cover single/multi-image, and short/long video understanding. mPLUG-Owl3 achieves competitive performance with the state-of-the-art methods while reducing inference time and memory usage by 87.8\% and 48.5\% in average. Moreover, we propose a Distractor Resistance evaluation to assess the ability of models to maintain focus amidst distractions. mPLUG-Owl3 also demonstrates outstanding performance in distractor resistance on ultra-long visual sequence inputs. We hope that mPLUG-Owl3 can contribute to the development of more efficient and powerful multimodal large language models.

Applications · Computer Vision

Shangyu Chen, Zizheng Pan, Jianfei Cai, Dinh Phung

Personalizing a large-scale pretrained Text-to-Image (T2I) diffusion model is chal-lenging as it typically struggles to make an appropriate trade-off between its trainingdata distribution and the target distribution, i.e., learning a novel concept with only afew target images to achieve personalization (aligning with the personalized target)while preserving text editability (aligning with diverse text prompts). In this paper,we propose PaRa, an effective and efficient Parameter Rank Reduction approachfor T2I model personalization by explicitly controlling the rank of the diffusionmodel parameters to restrict its initial diverse generation space into a small andwell-balanced target space. Our design is motivated by the fact that taming a T2Imodel toward a novel concept such as a specific art style implies a small generationspace. To this end, by reducing the rank of model parameters during finetuning, wecan effectively constrain the space of the denoising sampling trajectories towardsthe target. With comprehensive experiments, we show that PaRa achieves greatadvantages over existing finetuning approaches on single/multi-subject generationas well as single-image editing. Notably, compared to the prevailing fine-tuningtechnique LoRA, PaRa achieves better parameter efficiency (2× fewer learnableparameters) and much better target image alignment.

Deep Learning · Generative Models and Autoencoders

Zizheng Pan, Bohan Zhuang, De-An Huang, Weili Nie, Zhiding Yu, Chaowei Xiao, Jianfei Cai, anima anandkumar

Sampling from diffusion probabilistic models (DPMs) is often expensive for high-quality image generation and typically requires many steps with a large model. In this paper, we introduce sampling Trajectory Stitching (T-Stitch), a simple yet efficient technique to improve the sampling efficiency with little or no generation degradation. Instead of solely using a large DPM for the entire sampling trajectory, T-Stitch first leverages a smaller DPM in the initial steps as a cheap drop-in replacement of the larger DPM and switches to the larger DPM at a later stage. Our key insight is that different diffusion models learn similar encodings under the same training data distribution and smaller models are capable of generating good global structures in the early steps. Extensive experiments demonstrate that T-Stitch is training-free, generally applicable for different architectures, and complements most existing fast sampling techniques with flexible speed and quality trade-offs. On DiT-XL, for example, 40% of the early timesteps can be safely replaced with a 10x faster DiT-S without performance drop on class-conditional ImageNet generation. We further show that our method can also be used as a drop-in technique to not only accelerate the popular pretrained stable diffusion (SD) models but also improve the prompt alignment of stylized SD models from the public model zoo. Finally, the explicit model allocation strategy of T-Stitch significantly reduces the need of training or searching, delivering high deployment efficiency.

Deep Learning · Large Language Models

Logan Cross, Violet Xiang, Agam Bhatia, Daniel Yamins, Nick Haber

Multi-agent reinforcement learning (MARL) methods struggle with the non-stationarity of multi-agent systems and fail to adaptively learn online when tested with novel agents. Here, we leverage large language models (LLMs) to create an autonomous agent that can handle these challenges. Our agent, Hypothetical Minds, consists of a cognitively-inspired architecture, featuring modular components for perception, memory, and hierarchical planning over two levels of abstraction. We introduce the Theory of Mind module that scaffolds the high-level planning process by generating hypotheses about other agents' strategies in natural language. It then evaluates and iteratively refines these hypotheses by reinforcing hypotheses that make correct predictions about the other agents' behavior. Hypothetical Minds significantly improves performance over previous LLM-agent and RL baselines on a range of competitive, mixed motive, and collaborative domains in the Melting Pot benchmark, including both dyadic and population-based environments. Additionally, comparisons against LLM-agent baselines and ablations reveal the importance of hypothesis evaluation and refinement for succeeding on complex scenarios.

Optimization · Non-Convex

Sueda Taner, Ziyi Wang, Christoph Studer

We introduce a novel class of regularization functions, called Cauchy–Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

Deep Learning · Large Language Models

Murong Yue, Wenlin Yao, Haitao Mi, Dian Yu, Ziyu Yao, Dong Yu

Enhancing the capability of large language models (LLMs) in reasoning has gained significant attention in recent years. Previous studies have demonstrated the effectiveness of various prompting strategies in aiding LLMs in reasoning (called "reasoning actions"), such as step-by-step thinking, reflecting before answering, solving with programs, and their combinations. However, these approaches often applied static, predefined reasoning actions uniformly to all questions, without considering the specific characteristics of each question or the capability of the task-solving LLM. In this paper, we propose DOTS, an approach enabling LLMs to reason Dynamically via Optimal reasoning Trajectories Search, tailored to the specific characteristics of each question and the inherent capability of the task-solving LLM. Our approach involves three key steps: i) defining atomic reasoning action modules that can be composed into various reasoning action trajectories; ii) searching for the optimal action trajectory for each training question through iterative exploration and evaluation for the specific task-solving LLM; and iii) using the collected optimal trajectories to train an LLM to plan for the reasoning trajectories of unseen questions. In particular, we propose two learning paradigms, i.e., fine-tuning an external LLM as a planner to guide the task-solving LLM, or directly fine-tuning the task-solving LLM with an internalized capability for reasoning actions planning. Our experiments across eight reasoning tasks show that our method consistently outperforms static reasoning techniques and the vanilla instruction tuning approach. Further analysis reveals that our method enables LLMs to adjust their computation based on problem complexity, allocating deeper thinking and reasoning to harder problems.