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Reinforcement Learning · Everything Else

Calvin Luo, Mandy He, Zilai Zeng, Chen Sun

Training an agent to achieve particular goals or perform desired behaviors is often accomplished through reinforcement learning, especially in the absence of expert demonstrations. However, supporting novel goals or behaviors through reinforcement learning requires the ad-hoc design of appropriate reward functions, which quickly becomes intractable. To address this challenge, we propose Text-Aware Diffusion for Policy Learning (TADPoLe), which uses a pretrained, frozen text-conditioned diffusion model to compute dense zero-shot reward signals for text-aligned policy learning. We hypothesize that large-scale pretrained generative models encode rich priors that can supervise a policy to behave not only in a text-aligned manner, but also in alignment with a notion of naturalness summarized from internet-scale training data. In our experiments, we demonstrate that TADPoLe is able to learn policies for novel goal-achievement and continuous locomotion behaviors specified by natural language, in both Humanoid and Dog environments. The behaviors are learned zero-shot without ground-truth rewards or expert demonstrations, and are qualitatively more natural according to human evaluation. We further show that TADPoLe performs competitively when applied to robotic manipulation tasks in the Meta-World environment, without having access to any in-domain demonstrations.

Computer Vision

Mijeong Kim, Jongwoo Lim, Bohyung Han

Novel view synthesis of dynamic scenes is becoming important in various applications, including augmented and virtual reality.We propose a novel 4D Gaussian Splatting (4DGS) algorithm for dynamic scenes from casually recorded monocular videos. To overcome the overfitting problem of existing work for these real-world videos, we introduce an uncertainty-aware regularization that identifies uncertain regions with few observations and selectively imposes additional priors based on diffusion models and depth smoothness on such regions.This approach improves both the performance of novel view synthesis and the quality of training image reconstruction. We also identify the initialization problem of 4DGS in fast-moving dynamic regions, where the Structure from Motion (SfM) algorithm fails to provide reliable 3D landmarks. To initialize Gaussian primitives in such regions, we present a dynamic region densification method using the estimated depth maps and scene flow. Our experiments show that the proposed method improves the performance of 4DGS reconstruction from a video captured by a handheld monocular camera and also exhibits promising results in few-shot static scene reconstruction.

Generative Models · Diffusion models

Yuseung Lee, Taehoon Yoon, Minhyuk Sung

We introduce GrounDiT, a novel training-free spatial grounding technique for text-to-image generation using Diffusion Transformers (DiT). Spatial grounding with bounding boxes has gained attention for its simplicity and versatility, allowing for enhanced user control in image generation. However, prior training-free approaches often rely on updating the noisy image during the reverse diffusion process via backpropagation from custom loss functions, which frequently struggle to provide precise control over individual bounding boxes. In this work, we leverage the flexibility of the Transformer architecture, demonstrating that DiT can generate noisy patches corresponding to each bounding box, fully encoding the target object and allowing for fine-grained control over each region. Our approach builds on an intriguing property of DiT, which we refer to as semantic sharing. Due to semantic sharing, when a smaller patch is jointly denoised alongside a generatable-size image, the two become semantic clones. Each patch is denoised in its own branch of the generation process and then transplanted into the corresponding region of the original noisy image at each timestep, resulting in robust spatial grounding for each bounding box. In our experiments on the HRS and DrawBench benchmarks, we achieve state-of-the-art performance compared to previous training-free approaches. Project Page: https://groundit-diffusion.github.io/.

Generative Models · Diffusion models

Yongyuan Liang, Tingqiang Xu, Kaizhe Hu, Guangqi Jiang, Furong Huang, Huazhe Xu

Can we generate a control policy for an agent using just one demonstration of desired behaviors as a prompt, as effortlessly as creating an image from a textual description?In this paper, we present **Make-An-Agent**, a novel policy parameter generator that leverages the power of conditional diffusion models for behavior-to-policy generation. Guided by behavior embeddings that encode trajectory information, our policy generator synthesizes latent parameter representations, which can then be decoded into policy networks. Trained on policy network checkpoints and their corresponding trajectories, our generation model demonstrates remarkable versatility and scalability on multiple tasks and has a strong generalization ability on unseen tasks to output well-performed policies with only few-shot demonstrations as inputs. We showcase its efficacy and efficiency on various domains and tasks, including varying objectives, behaviors, and even across different robot manipulators. Beyond simulation, we directly deploy policies generated by **Make-An-Agent** onto real-world robots on locomotion tasks. Project page: https://cheryyunl.github.io/make-an-agent/.

Generative Models · Diffusion models

Siyi Gu, Minkai Xu, Alexander Powers, Weili Nie, Tomas Geffner, Karsten Kreis, Jure Leskovec, Arash Vahdat, Stefano Ermon

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion models, have shown great promise in modeling protein-ligand interactions and generating candidate drugs. However, existing models primarily focus on learning the chemical distribution of all drug candidates, which lacks effective steerability on the chemical quality of model generations. In this paper, we propose a novel and general alignment framework to align pretrained target diffusion models with preferred functional properties, named AliDiff. AliDiff shifts the target-conditioned chemical distribution towards regions with higher binding affinity and structural rationality, specified by user-defined reward functions, via the preference optimization approach. To avoid the overfitting problem in common preference optimization objectives, we further develop an improved Exact Energy Preference Optimization method to yield an exact and efficient alignment of the diffusion models, and provide the closed-form expression for the converged distribution. Empirical studies on the CrossDocked2020 benchmark show that AliDiff can generate molecules with state-of-the-art binding energies with up to -7.07 Avg. Vina Score, while maintaining strong molecular properties. Code is available at https://github.com/MinkaiXu/AliDiff.

Generative Models · Diffusion models

Jialu Li, Jaemin Cho, Yi-Lin Sung, Jaehong Yoon, Mohit Bansal

Recent text-to-image (T2I) generation models have demonstrated impressive capabilities in creating images from text descriptions. However, these T2I generation models often fail to generate images that precisely match the details of the text inputs, such as incorrect spatial relationship or missing objects. In this paper, we introduce SELMA: Skill-Specific Expert Learning and Merging with Auto-Generated Data, a novel paradigm to improve the faithfulness of T2I models by fine-tuning models on automatically generated, multi-skill image-text datasets, with skill-specific expert learning and merging. First, SELMA leverages an LLM’s in-context learning capability to generate multiple datasets of text prompts that can teach different skills, and then generates the images with a T2I model based on the prompts. Next, SELMA adapts the T2I model to the new skills by learning multiple single-skill LoRA (low-rank adaptation) experts followed by expert merging. Our independent expert fine-tuning specializes multiple models for different skills, and expert merging helps build a joint multi-skill T2I model that can generate faithful images given diverse text prompts, while mitigating the knowledge conflict from different datasets. We empirically demonstrate that SELMA significantly improves the semantic alignment and text faithfulness of state-of-the-art T2I diffusion models on multiple benchmarks (+2.1% on TIFA and +6.9% on DSG), human preference metrics (PickScore, ImageReward, and HPS), as well as human evaluation. Moreover, fine-tuning with image-text pairs auto-collected via SELMA shows comparable performance to fine-tuning with ground truth data. Lastly, we show that fine-tuning with images from a weaker T2I model can help improve the generation quality of a stronger T2I model, suggesting promising weak-to-strong generalization in T2I models. We provide code in the supplementary materials.

Robotics

Yipu Chen, Haotian Xue, Yongxin Chen

Diffusion models have emerged as a promising approach for behavior cloning (BC), leveraging their exceptional ability to model multi-modal distributions. Diffusion policies (DP) have elevated BC performance to new heights, demonstrating robust efficacy across diverse tasks, coupled with their inherent flexibility and ease of implementation. Despite the increasing adoption of Diffusion Policies (DP) as a foundation for policy generation, the critical issue of safety remains largely unexplored. While previous attempts have targeted deep policy networks, DP used diffusion models as the policy network, making it ineffective to be attacked using previous methods because of its chained structure and randomness injected. In this paper, we undertake a comprehensive examination of DP safety concerns by introducing adversarial scenarios, encompassing offline and online attacks, global and patch-based attacks. We propose DP-Attacker, a suite of algorithms that can craft effective adversarial attacks across all aforementioned scenarios. We conduct attacks on pre-trained diffusion policies across various manipulation tasks. Through extensive experiments, we demonstrate that DP-Attacker has the capability to significantly decrease the success rate of DP for all scenarios. Particularly in offline scenarios, we exhibit the generation of highly transferable perturbations applicable to all frames. Furthermore, we illustrate the creation of adversarial physical patches that, when applied to the environment, effectively deceive the model. Video results areput in: https://sites.google.com/view/dp-attacker-videos/.

Reinforcement Learning · Everything Else

Woo Kyung Kim, Youngseok Lee, Jooyoung Kim, Honguk Woo

Recent advances in data-driven imitation learning and offline reinforcement learning have highlighted the use of expert data for skill acquisition and the development of hierarchical policies based on these skills. However, these approaches have not significantly advanced in adapting these skills to unseen contexts, which may involve changing environmental conditions or different user requirements. In this paper, we present a novel LLM-based policy adaptation framework LDuS which leverages an LLM to guide the generation process of a skill diffusion model upon contexts specified in language, facilitating zero-shot skill-based policy adaptation to different contexts. To implement the skill diffusion model, we adapt the loss-guided diffusion with a sequential in-painting technique, where target trajectories are conditioned by masking them with past state-action sequences, thereby enabling the robust and controlled generation of skill trajectories in test-time. To have a loss function for a given context, we employ the LLM-based code generation with iterative refinement, by which the code and controlled trajectory are validated to align with the context in a closed-loop manner. Through experiments, we demonstrate the zero-shot adaptability of LDuS to various context types including different specification levels, multi-modality, and varied temporal conditions for several robotic manipulation tasks, outperforming other language-conditioned imitation and planning methods.

Generative Models · Diffusion models

Sirine Ayadi, Leon Hetzel, Johanna Sommer, Fabian Theis, Stephan Günnemann

Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current molecular diffusion models are tailored towards a specific downstream task and lack adaptability. We introduce UniGuide, a framework for controlled geometric guidance of unconditional diffusion models that allows flexible conditioning during inference without the requirement of extra training or networks. We show how applications such as structure-based, fragment-based, and ligand-based drug design are formulated in the UniGuide framework and demonstrate on-par or superior performance compared to specialised models. Offering a more versatile approach, UniGuide has the potential to streamline the development of molecular generative models, allowing them to be readily used in diverse application scenarios.

Time Series

Yifan Duan, Jian Zhao, pengcheng, Junyuan Mao, Hao Wu, Jingyu Xu, shilong wang, Caoyuan Ma, Kai Wang, Kun Wang 等

Spatio-temporal (ST) prediction has garnered a De facto attention in earth sciences, such as meteorological prediction, human mobility perception. However, the scarcity of data coupled with the high expenses involved in sensor deployment results in notable data imbalances. Furthermore, models that are excessively customized and devoid of causal connections further undermine the generalizability and interpretability. To this end, we establish a causal framework for ST predictions, termed CaPaint, which targets to identify causal regions in data and endow model with causal reasoning ability in a two-stage process. Going beyond this process, we utilize the back-door adjustment to specifically address the sub-regions identified as non-causal in the upstream phase. Specifically, we employ a novel image inpainting technique. By using a fine-tuned unconditional Diffusion Probabilistic Model (DDPM) as the generative prior, we in-fill the masks defined as environmental parts, offering the possibility of reliable extrapolation for potential data distributions. CaPaint overcomes the high complexity dilemma of optimal ST causal discovery models by reducing the data generation complexity from exponential to quasi-linear levels. Extensive experiments conducted on five real-world ST benchmarks demonstrate that integrating the CaPaint concept allows models to achieve improvements ranging from 4.3% to 77.3%. Moreover, compared to traditional mainstream ST augmenters, CaPaint underscores the potential of diffusion models in ST enhancement, offering a novel paradigm for this field. Our project is available at https://anonymous.4open.science/r/12345-DFCC.

Physical Models · Physics

Jules Berman, Tobias Blickhan, Benjamin Peherstorfer

The aim of this work is to learn models of population dynamics of physical systems that feature stochastic and mean-field effects and that depend on physics parameters. The learned models can act as surrogates of classical numerical models to efficiently predict the system behavior over the physics parameters. Building on the Benamou-Brenier formula from optimal transport and action matching, we use a variational problem to infer parameter- and time-dependent gradient fields that represent approximations of the population dynamics. The inferred gradient fields can then be used to rapidly generate sample trajectories that mimic the dynamics of the physical system on a population level over varying physics parameters. We show that combining Monte Carlo sampling with higher-order quadrature rules is critical for accurately estimating the training objective from sample data and for stabilizing the training process. We demonstrate on Vlasov-Poisson instabilities as well as on high-dimensional particle and chaotic systems that our approach accurately predicts population dynamics over a wide range of parameters and outperforms state-of-the-art diffusion-based and flow-based modeling that simply condition on time and physics parameters.

Robotics

Xinyao Yu, Sixian Zhang, Xinhang Song, Xiaorong Qin, Shuqiang Jiang

Object goal navigation requires an agent to navigate to a specified object in an unseen environment based on visual observations and user-specified goals. Human decision-making in navigation is sequential, planning a most likely sequence of actions toward the goal. However, existing ObjectNav methods, both end-to-end learning methods and modular methods, rely on single-step planning. They output the next action based on the current model input, which easily overlooks temporal consistency and leads to myopic planning.To this end, we aim to learn sequence planning for ObjectNav. Specifically, we propose trajectory diffusion to learn the distribution of trajectory sequences conditioned on the current observation and the goal. We utilize DDPM and automatically collected optimal trajectory segments to train the trajectory diffusion.Once the trajectory diffusion model is trained, it can generate a temporally coherent sequence of future trajectory for agent based on its current observations.Experimental results on the Gibson and MP3D datasets demonstrate that the generated trajectories effectively guide the agent, resulting in more accurate and efficient navigation.

Generative Models · Diffusion models

Zander W. Blasingame, Chen Liu

The optimization of the latents and parameters of diffusion models with respect to some differentiable metric defined on the output of the model is a challenging and complex problem. The sampling for diffusion models is done by solving either the *probability flow* ODE or diffusion SDE wherein a neural network approximates the score function allowing a numerical ODE/SDE solver to be used. However, naive backpropagation techniques are memory intensive, requiring the storage of all intermediate states, and face additional complexity in handling the injected noise from the diffusion term of the diffusion SDE. We propose a novel family of bespoke ODE solvers to the continuous adjoint equations for diffusion models, which we call *AdjointDEIS*. We exploit the unique construction of diffusion SDEs to further simplify the formulation of the continuous adjoint equations using *exponential integrators*. Moreover, we provide convergence order guarantees for our bespoke solvers. Significantly, we show that continuous adjoint equations for diffusion SDEs actually simplify to a simple ODE. Lastly, we demonstrate the effectiveness of AdjointDEIS for guided generation with an adversarial attack in the form of the face morphing problem. Our code will be released on our project page [https://zblasingame.github.io/AdjointDEIS/](https://zblasingame.github.io/AdjointDEIS/)

Hao Chen, Yujin Han, Diganta Misra, Xiang Li, Kai Hu, Difan Zou, Masashi Sugiyama, Jindong Wang, Bhiksha Raj

Diffusion models (DMs) have shown remarkable capabilities in generating realistic high-quality images, audios, and videos. They benefit significantly from extensive pre-training on large-scale datasets, including web-crawled data with paired data and conditions, such as image-text and image-class pairs.Despite rigorous filtering, these pre-training datasets often inevitably contain corrupted pairs where conditions do not accurately describe the data. This paper presents the first comprehensive study on the impact of such corruption in pre-training data of DMs.We synthetically corrupt ImageNet-1K and CC3M to pre-train and evaluate over $50$ conditional DMs. Our empirical findings reveal that various types of slight corruption in pre-training can significantly enhance the quality, diversity, and fidelity of the generated images across different DMs, both during pre-training and downstream adaptation stages. Theoretically, we consider a Gaussian mixture model and prove that slight corruption in the condition leads to higher entropy and a reduced 2-Wasserstein distance to the ground truth of the data distribution generated by the corruptly trained DMs.Inspired by our analysis, we propose a simple method to improve the training of DMs on practical datasets by adding condition embedding perturbations (CEP).CEP significantly improves the performance of various DMs in both pre-training and downstream tasks.We hope that our study provides new insights into understanding the data and pre-training processes of DMs.

Generative Models · Diffusion models

Zhenzhi Wang, Jingbo Wang, Yixuan Li, Dahua Lin, Bo Dai

Text-conditioned motion synthesis has made remarkable progress with the emergence of diffusion models. However, the majority of these motion diffusion models are primarily designed for a single character and overlook multi-human interactions. In our approach, we strive to explore this problem by synthesizing human motion with interactions for a group of characters of any size in a zero-shot manner. The key aspect of our approach is the adaptation of human-wise interactions as pairs of human joints that can be either in contact or separated by a desired distance. In contrast to existing methods that necessitate training motion generation models on multi-human motion datasets with a fixed number of characters, our approach inherently possesses the flexibility to model human interactions involving an arbitrary number of individuals, thereby transcending the limitations imposed by the training data. We introduce a novel controllable motion generation method, InterControl, to encourage the synthesized motions maintaining the desired distance between joint pairs. It consists of a motion controller and an inverse kinematics guidance module that realistically and accurately aligns the joints of synthesized characters to the desired location. Furthermore, we demonstrate that the distance between joint pairs for human-wise interactions can be generated using an off-the-shelf Large Language Model (LLM). Experimental results highlight the capability of our framework to generate interactions with multiple human characters and its potential to work with off-the-shelf physics-based character simulators. Code is available at https://github.com/zhenzhiwang/intercontrol.

Generative Models · Diffusion models

Lingxiao Zhao, Xueying Ding, Leman Akoglu

Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely un-ordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block’s probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN (Maronet al., 2019). Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules.

Computer Vision · Video Generation

HANWEN LIANG, Yuyang Yin, Dejia Xu, hanxue liang, Zhangyang "Atlas" Wang, Konstantinos N Plataniotis, Yao Zhao, Yunchao Wei

The availability of large-scale multimodal datasets and advancements in diffusion models have significantly accelerated progress in 4D content generation. Most prior approaches rely on multiple images or video diffusion models, utilizing score distillation sampling for optimization or generating pseudo novel views for direct supervision. However, these methods are hindered by slow optimization speeds and multi-view inconsistency issues. Spatial and temporal consistency in 4D geometry has been extensively explored respectively in 3D-aware diffusion models and traditional monocular video diffusion models. Building on this foundation, we propose a strategy to migrate the temporal consistency in video diffusion models to the spatial-temporal consistency required for 4D generation. Specifically, we present a novel framework, \textbf{Diffusion4D}, for efficient and scalable 4D content generation. Leveraging a meticulously curated dynamic 3D dataset, we develop a 4D-aware video diffusion model capable of synthesizing orbital views of dynamic 3D assets. To control the dynamic strength of these assets, we introduce a 3D-to-4D motion magnitude metric as guidance. Additionally, we propose a novel motion magnitude reconstruction loss and 3D-aware classifier-free guidance to refine the learning and generation of motion dynamics. After obtaining orbital views of the 4D asset, we perform explicit 4D construction with Gaussian splatting in a coarse-to-fine manner. Extensive experiments demonstrate that our method surpasses prior state-of-the-art techniques in terms of generation efficiency and 4D geometry consistency across various prompt modalities.

Generative Models · Diffusion models

Ruofeng Yang, Bo Jiang, Cheng Chen, ruinan Jin, Baoxiang Wang, Shuai Li

While diffusion models have demonstrated impressive performance, there is a growing need for generating samples tailored to specific user-defined concepts. The customized requirements promote the development of few-shot diffusion models, which use limited $n_{ta}$ target samples to fine-tune a pre-trained diffusion model trained on $n_s$ source samples. Despite the empirical success, no theoretical work specifically analyzes few-shot diffusion models. Moreover, the existing results for diffusion models without a fine-tuning phase can not explain why few-shot models generate great samples due to the curse of dimensionality. In this work, we analyze few-shot diffusion models under a linear structure distribution with a latent dimension $d$. From the approximation perspective, we prove that few-shot models have a $\widetilde{O}(n_s^{-2/d}+n_{ta}^{-1/2})$ bound to approximate the target score function, which is better than $n_{ta}^{-2/d}$ results. From the optimization perspective, we consider a latent Gaussian special case and prove that the optimization problem has a closed-form minimizer. This means few-shot models can directly obtain an approximated minimizer without a complex optimization process. Furthermore, we also provide the accuracy bound $\widetilde{O}(1/n_{ta}+1/\sqrt{n_s})$ for the empirical solution, which still has better dependence on $n_{ta}$ compared to $n_s$. The results of the real-world experiments also show that the models obtained by only fine-tuning the encoder and decoder specific to the target distribution can produce novel images with the target feature, which supports our theoretical results.

Generative Models · Diffusion models

Bowen Song, Jason Hu, Zhaoxu Luo, Jeffrey Fessler, Liyue Shen

Diffusion models face significant challenges when employed for large-scale medical image reconstruction in real practice such as 3D Computed Tomography (CT).Due to the demanding memory, time, and data requirements, it is difficult to train a diffusion model directly on the entire volume of high-dimensional data to obtain an efficient 3D diffusion prior. Existing works utilizing diffusion priors on single 2D image slice with hand-crafted cross-slice regularization would sacrifice the z-axis consistency, which results in severe artifacts along the z-axis. In this work, we propose a novel framework that enables learning the 3D image prior through position-aware 3D-patch diffusion score blending for reconstructing large-scale 3D medical images. To the best of our knowledge, we are the first to utilize a 3D-patch diffusion prior for 3D medical image reconstruction. Extensive experiments on sparse view and limited angle CT reconstructionshow that our DiffusionBlend method significantly outperforms previous methodsand achieves state-of-the-art performance on real-world CT reconstruction problems with high-dimensional 3D image (i.e., $256 \times 256 \times 500$). Our algorithm also comes with better or comparable computational efficiency than previous state-of-the-art methods. Code is available at https://github.com/efzero/DiffusionBlend.

Trustworthy Machine Learning

Omead Pooladzandi, Sunay Bhat, Jeffrey Jiang, Alexander Branch, Gregory Pottie

Train-time data poisoning attacks threaten machine learning models by introducing adversarial examples during training, leading to misclassification. Current defense methods often reduce generalization performance, are attack-specific, and impose significant training overhead. To address this, we introduce a set of universal data purification methods using a stochastic transform, $\Psi(x)$, realized via iterative Langevin dynamics of Energy-Based Models (EBMs), Denoising Diffusion Probabilistic Models (DDPMs), or both. These approaches purify poisoned data with minimal impact on classifier generalization. Our specially trained EBMs and DDPMs provide state-of-the-art defense against various attacks (including Narcissus, Bullseye Polytope, Gradient Matching) on CIFAR-10, Tiny-ImageNet, and CINIC-10, without needing attack or classifier-specific information. We discuss performance trade-offs and show that our methods remain highly effective even with poisoned or distributionally shifted generative model training data.