Daily Papers

Open-vocabulary 3D instance segmentation transcends traditional closed-vocabulary methods by enabling the identification of both previously seen and unseen objects in real-world scenarios. It leverages a dual-modality approach, utilizing both 3D point clouds and 2D multi-view images to generate class-agnostic object mask proposals. Previous efforts predominantly focused on enhancing 3D mask proposal models; consequently, the information that could come from 2D association to 3D was not fully exploited. This bias towards 3D data, while effective for familiar indoor objects, limits the system's adaptability to new and varied object types, where 2D models offer greater utility. Addressing this gap, we introduce Zero-Shot Dual-Path Integration Framework that equally values the contributions of both 3D and 2D modalities. Our framework comprises three components: 3D pathway, 2D pathway, and Dual-Path Integration. 3D pathway generates spatially accurate class-agnostic mask proposals of common indoor objects from 3D point cloud data using a pre-trained 3D model, while 2D pathway utilizes pre-trained open-vocabulary instance segmentation model to identify a diverse array of object proposals from multi-view RGB-D images. In Dual-Path Integration, our Conditional Integration process, which operates in two stages, filters and merges the proposals from both pathways adaptively. This process harmonizes output proposals to enhance segmentation capabilities. Our framework, utilizing pre-trained models in a zero-shot manner, is model-agnostic and demonstrates superior performance on both seen and unseen data, as evidenced by comprehensive evaluations on the ScanNet200 and qualitative results on ARKitScenes datasets.

Recent vision-language pre-training models have exhibited remarkable generalization ability in zero-shot recognition tasks. Previous open-vocabulary 3D scene understanding methods mostly focus on training 3D models using either image or text supervision while neglecting the collective strength of all modalities. In this work, we propose a Dense Multimodal Alignment (DMA) framework to densely co-embed different modalities into a common space for maximizing their synergistic benefits. Instead of extracting coarse view- or region-level text prompts, we leverage large vision-language models to extract complete category information and scalable scene descriptions to build the text modality, and take image modality as the bridge to build dense point-pixel-text associations. Besides, in order to enhance the generalization ability of the 2D model for downstream 3D tasks without compromising the open-vocabulary capability, we employ a dual-path integration approach to combine frozen CLIP visual features and learnable mask features. Extensive experiments show that our DMA method produces highly competitive open-vocabulary segmentation performance on various indoor and outdoor tasks.

We present DualMat, a novel dual-path diffusion framework for estimating Physically Based Rendering (PBR) materials from single images under complex lighting conditions. Our approach operates in two distinct latent spaces: an albedo-optimized path leveraging pretrained visual knowledge through RGB latent space, and a material-specialized path operating in a compact latent space designed for precise metallic and roughness estimation. To ensure coherent predictions between the albedo-optimized and material-specialized paths, we introduce feature distillation during training. We employ rectified flow to enhance efficiency by reducing inference steps while maintaining quality. Our framework extends to high-resolution and multi-view inputs through patch-based estimation and cross-view attention, enabling seamless integration into image-to-3D pipelines. DualMat achieves state-of-the-art performance on both Objaverse and real-world data, significantly outperforming existing methods with up to 28% improvement in albedo estimation and 39% reduction in metallic-roughness prediction errors.

Cell instance segmentation in cytology images has significant importance for biology analysis and cancer screening, while remains challenging due to 1) the extensive overlapping translucent cell clusters that cause the ambiguous boundaries, and 2) the confusion of mimics and debris as nuclei. In this work, we proposed a De-overlapping Network (DoNet) in a decompose-and-recombined strategy. A Dual-path Region Segmentation Module (DRM) explicitly decomposes the cell clusters into intersection and complement regions, followed by a Semantic Consistency-guided Recombination Module (CRM) for integration. To further introduce the containment relationship of the nucleus in the cytoplasm, we design a Mask-guided Region Proposal Strategy (MRP) that integrates the cell attention maps for inner-cell instance prediction. We validate the proposed approach on ISBI2014 and CPS datasets. Experiments show that our proposed DoNet significantly outperforms other state-of-the-art (SOTA) cell instance segmentation methods. The code is available at https://github.com/DeepDoNet/DoNet.

Traditional benchmarks for large language models (LLMs) typically rely on static evaluations through storytelling or opinion expression, which fail to capture the dynamic requirements of real-time information processing in contemporary applications. To address this limitation, we present DynamicBench, a benchmark designed to evaluate the proficiency of LLMs in storing and processing up-to-the-minute data. DynamicBench utilizes a dual-path retrieval pipeline, integrating web searches with local report databases. It necessitates domain-specific knowledge, ensuring accurate responses report generation within specialized fields. By evaluating models in scenarios that either provide or withhold external documents, DynamicBench effectively measures their capability to independently process recent information or leverage contextual enhancements. Additionally, we introduce an advanced report generation system adept at managing dynamic information synthesis. Our experimental results confirm the efficacy of our approach, with our method achieving state-of-the-art performance, surpassing GPT4o in document-free and document-assisted scenarios by 7.0% and 5.8%, respectively. The code and data will be made publicly available.

Recent vision-language-action (VLA) models build upon vision-language foundations, and have achieved promising results and exhibit the possibility of task generalization in robot manipulation. However, due to the heterogeneity of tactile sensors and the difficulty of acquiring tactile data, current VLA models significantly overlook the importance of tactile perception and fail in contact-rich tasks. To address this issue, this paper proposes OmniVTLA, a novel architecture involving tactile sensing. Specifically, our contributions are threefold. First, our OmniVTLA features a dual-path tactile encoder framework. This framework enhances tactile perception across diverse vision-based and force-based tactile sensors by using a pretrained vision transformer (ViT) and a semantically-aligned tactile ViT (SA-ViT). Second, we introduce ObjTac, a comprehensive force-based tactile dataset capturing textual, visual, and tactile information for 56 objects across 10 categories. With 135K tri-modal samples, ObjTac supplements existing visuo-tactile datasets. Third, leveraging this dataset, we train a semantically-aligned tactile encoder to learn a unified tactile representation, serving as a better initialization for OmniVTLA. Real-world experiments demonstrate substantial improvements over state-of-the-art VLA baselines, achieving 96.9% success rates with grippers, (21.9% higher over baseline) and 100% success rates with dexterous hands (6.2% higher over baseline) in pick-and-place tasks. Besides, OmniVTLA significantly reduces task completion time and generates smoother trajectories through tactile sensing compared to existing VLA. Our ObjTac dataset can be found at https://readerek.github.io/Objtac.github.io

We formulate a hierarchical rectified flow to model data distributions. It hierarchically couples multiple ordinary differential equations (ODEs) and defines a time-differentiable stochastic process that generates a data distribution from a known source distribution. Each ODE resembles the ODE that is solved in a classic rectified flow, but differs in its domain, i.e., location, velocity, acceleration, etc. Unlike the classic rectified flow formulation, which formulates a single ODE in the location domain and only captures the expected velocity field (sufficient to capture a multi-modal data distribution), the hierarchical rectified flow formulation models the multi-modal random velocity field, acceleration field, etc., in their entirety. This more faithful modeling of the random velocity field enables integration paths to intersect when the underlying ODE is solved during data generation. Intersecting paths in turn lead to integration trajectories that are more straight than those obtained in the classic rectified flow formulation, where integration paths cannot intersect. This leads to modeling of data distributions with fewer neural function evaluations. We empirically verify this on synthetic 1D and 2D data as well as MNIST, CIFAR-10, and ImageNet-32 data. Our code is available at: https://riccizz.github.io/HRF/.

Recent video diffusion models demonstrate strong potential in spatial intelligence tasks due to their rich latent world priors. However, this potential is hindered by their limited controllability and geometric inconsistency, creating a gap between their strong priors and their practical use in 3D/4D tasks. As a result, current approaches often rely on retraining or fine-tuning, which risks degrading pretrained knowledge and incurs high computational costs. To address this, we propose WorldForge, a training-free, inference-time framework composed of three tightly coupled modules. Intra-Step Recursive Refinement introduces a recursive refinement mechanism during inference, which repeatedly optimizes network predictions within each denoising step to enable precise trajectory injection. Flow-Gated Latent Fusion leverages optical flow similarity to decouple motion from appearance in the latent space and selectively inject trajectory guidance into motion-related channels. Dual-Path Self-Corrective Guidance compares guided and unguided denoising paths to adaptively correct trajectory drift caused by noisy or misaligned structural signals. Together, these components inject fine-grained, trajectory-aligned guidance without training, achieving both accurate motion control and photorealistic content generation. Extensive experiments across diverse benchmarks validate our method's superiority in realism, trajectory consistency, and visual fidelity. This work introduces a novel plug-and-play paradigm for controllable video synthesis, offering a new perspective on leveraging generative priors for spatial intelligence.

Transformer based models have provided significant performance improvements in monaural speech separation. However, there is still a performance gap compared to a recent proposed upper bound. The major limitation of the current dual-path Transformer models is the inefficient modelling of long-range elemental interactions and local feature patterns. In this work, we achieve the upper bound by proposing a gated single-head transformer architecture with convolution-augmented joint self-attentions, named MossFormer (Monaural speech separation TransFormer). To effectively solve the indirect elemental interactions across chunks in the dual-path architecture, MossFormer employs a joint local and global self-attention architecture that simultaneously performs a full-computation self-attention on local chunks and a linearised low-cost self-attention over the full sequence. The joint attention enables MossFormer model full-sequence elemental interaction directly. In addition, we employ a powerful attentive gating mechanism with simplified single-head self-attentions. Besides the attentive long-range modelling, we also augment MossFormer with convolutions for the position-wise local pattern modelling. As a consequence, MossFormer significantly outperforms the previous models and achieves the state-of-the-art results on WSJ0-2/3mix and WHAM!/WHAMR! benchmarks. Our model achieves the SI-SDRi upper bound of 21.2 dB on WSJ0-3mix and only 0.3 dB below the upper bound of 23.1 dB on WSJ0-2mix.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

Accurate and high-fidelity driving scene reconstruction demands the effective utilization of comprehensive scene information as conditional inputs. Existing methods predominantly rely on 3D bounding boxes and BEV road maps for foreground and background control, which fail to capture the full complexity of driving scenes and adequately integrate multimodal information. In this work, we present DualDiff, a dual-branch conditional diffusion model designed to enhance driving scene generation across multiple views and video sequences. Specifically, we introduce Occupancy Ray-shape Sampling (ORS) as a conditional input, offering rich foreground and background semantics alongside 3D spatial geometry to precisely control the generation of both elements. To improve the synthesis of fine-grained foreground objects, particularly complex and distant ones, we propose a Foreground-Aware Mask (FGM) denoising loss function. Additionally, we develop the Semantic Fusion Attention (SFA) mechanism to dynamically prioritize relevant information and suppress noise, enabling more effective multimodal fusion. Finally, to ensure high-quality image-to-video generation, we introduce the Reward-Guided Diffusion (RGD) framework, which maintains global consistency and semantic coherence in generated videos. Extensive experiments demonstrate that DualDiff achieves state-of-the-art (SOTA) performance across multiple datasets. On the NuScenes dataset, DualDiff reduces the FID score by 4.09% compared to the best baseline. In downstream tasks, such as BEV segmentation, our method improves vehicle mIoU by 4.50% and road mIoU by 1.70%, while in BEV 3D object detection, the foreground mAP increases by 1.46%. Code will be made available at https://github.com/yangzhaojason/DualDiff.

Diffusion probabilistic models (DPMs) have achieved impressive success in visual generation. While, they suffer from slow inference speed due to iterative sampling. Employing fewer sampling steps is an intuitive solution, but this will also introduces discretization error. Existing fast samplers make inspiring efforts to reduce discretization error through the adoption of high-order solvers, potentially reaching a plateau in terms of optimization. This raises the question: can the sampling process be accelerated further? In this paper, we re-examine the nature of sampling errors, discerning that they comprise two distinct elements: the widely recognized discretization error and the less explored approximation error. Our research elucidates the dynamics between these errors and the step by implementing a dual-error disentanglement strategy. Building on these foundations, we introduce an unified and training-free acceleration framework, DualFast, designed to enhance the speed of DPM sampling by concurrently accounting for both error types, thereby minimizing the total sampling error. DualFast is seamlessly compatible with existing samplers and significantly boost their sampling quality and speed, particularly in extremely few sampling steps. We substantiate the effectiveness of our framework through comprehensive experiments, spanning both unconditional and conditional sampling domains, across both pixel-space and latent-space DPMs.

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

Accurate and high-fidelity driving scene reconstruction relies on fully leveraging scene information as conditioning. However, existing approaches, which primarily use 3D bounding boxes and binary maps for foreground and background control, fall short in capturing the complexity of the scene and integrating multi-modal information. In this paper, we propose DualDiff, a dual-branch conditional diffusion model designed to enhance multi-view driving scene generation. We introduce Occupancy Ray Sampling (ORS), a semantic-rich 3D representation, alongside numerical driving scene representation, for comprehensive foreground and background control. To improve cross-modal information integration, we propose a Semantic Fusion Attention (SFA) mechanism that aligns and fuses features across modalities. Furthermore, we design a foreground-aware masked (FGM) loss to enhance the generation of tiny objects. DualDiff achieves state-of-the-art performance in FID score, as well as consistently better results in downstream BEV segmentation and 3D object detection tasks.

Common image-to-image translation methods rely on joint training over data from both source and target domains. The training process requires concurrent access to both datasets, which hinders data separation and privacy protection; and existing models cannot be easily adapted for translation of new domain pairs. We present Dual Diffusion Implicit Bridges (DDIBs), an image translation method based on diffusion models, that circumvents training on domain pairs. Image translation with DDIBs relies on two diffusion models trained independently on each domain, and is a two-step process: DDIBs first obtain latent encodings for source images with the source diffusion model, and then decode such encodings using the target model to construct target images. Both steps are defined via ordinary differential equations (ODEs), thus the process is cycle consistent only up to discretization errors of the ODE solvers. Theoretically, we interpret DDIBs as concatenation of source to latent, and latent to target Schrodinger Bridges, a form of entropy-regularized optimal transport, to explain the efficacy of the method. Experimentally, we apply DDIBs on synthetic and high-resolution image datasets, to demonstrate their utility in a wide variety of translation tasks and their inherent optimal transport properties.

Stochastic dual dynamic programming (SDDP) is a state-of-the-art method for solving multi-stage stochastic optimization, widely used for modeling real-world process optimization tasks. Unfortunately, SDDP has a worst-case complexity that scales exponentially in the number of decision variables, which severely limits applicability to only low dimensional problems. To overcome this limitation, we extend SDDP by introducing a trainable neural model that learns to map problem instances to a piece-wise linear value function within intrinsic low-dimension space, which is architected specifically to interact with a base SDDP solver, so that can accelerate optimization performance on new instances. The proposed Neural Stochastic Dual Dynamic Programming (nu-SDDP) continually self-improves by solving successive problems. An empirical investigation demonstrates that nu-SDDP can significantly reduce problem solving cost without sacrificing solution quality over competitors such as SDDP and reinforcement learning algorithms, across a range of synthetic and real-world process optimization problems.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

We present a method for generating video sequences with coherent motion between a pair of input key frames. We adapt a pretrained large-scale image-to-video diffusion model (originally trained to generate videos moving forward in time from a single input image) for key frame interpolation, i.e., to produce a video in between two input frames. We accomplish this adaptation through a lightweight fine-tuning technique that produces a version of the model that instead predicts videos moving backwards in time from a single input image. This model (along with the original forward-moving model) is subsequently used in a dual-directional diffusion sampling process that combines the overlapping model estimates starting from each of the two keyframes. Our experiments show that our method outperforms both existing diffusion-based methods and traditional frame interpolation techniques.

Our research aims to develop machines that learn to perceive visual motion as do humans. While recent advances in computer vision (CV) have enabled DNN-based models to accurately estimate optical flow in naturalistic images, a significant disparity remains between CV models and the biological visual system in both architecture and behavior. This disparity includes humans' ability to perceive the motion of higher-order image features (second-order motion), which many CV models fail to capture because of their reliance on the intensity conservation law. Our model architecture mimics the cortical V1-MT motion processing pathway, utilizing a trainable motion energy sensor bank and a recurrent graph network. Supervised learning employing diverse naturalistic videos allows the model to replicate psychophysical and physiological findings about first-order (luminance-based) motion perception. For second-order motion, inspired by neuroscientific findings, the model includes an additional sensing pathway with nonlinear preprocessing before motion energy sensing, implemented using a simple multilayer 3D CNN block. When exploring how the brain acquired the ability to perceive second-order motion in natural environments, in which pure second-order signals are rare, we hypothesized that second-order mechanisms were critical when estimating robust object motion amidst optical fluctuations, such as highlights on glossy surfaces. We trained our dual-pathway model on novel motion datasets with varying material properties of moving objects. We found that training to estimate object motion from non-Lambertian materials naturally endowed the model with the capacity to perceive second-order motion, as can humans. The resulting model effectively aligns with biological systems while generalizing to both first- and second-order motion phenomena in natural scenes.

Diffusion models have achieved impressive results in generative tasks like text-to-image (T2I) and text-to-video (T2V) synthesis. However, achieving accurate text alignment in T2V generation remains challenging due to the complex temporal dependency across frames. Existing reinforcement learning (RL)-based approaches to enhance text alignment often require differentiable reward functions or are constrained to limited prompts, hindering their scalability and applicability. In this paper, we propose Free^2Guide, a novel gradient-free framework for aligning generated videos with text prompts without requiring additional model training. Leveraging principles from path integral control, Free^2Guide approximates guidance for diffusion models using non-differentiable reward functions, thereby enabling the integration of powerful black-box Large Vision-Language Models (LVLMs) as reward model. Additionally, our framework supports the flexible ensembling of multiple reward models, including large-scale image-based models, to synergistically enhance alignment without incurring substantial computational overhead. We demonstrate that Free^2Guide significantly improves text alignment across various dimensions and enhances the overall quality of generated videos.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

With the emerging diffusion models, recently, text-to-video generation has aroused increasing attention. But an important bottleneck therein is that generative videos often tend to carry some flickers and artifacts. In this work, we propose a dual-stream diffusion net (DSDN) to improve the consistency of content variations in generating videos. In particular, the designed two diffusion streams, video content and motion branches, could not only run separately in their private spaces for producing personalized video variations as well as content, but also be well-aligned between the content and motion domains through leveraging our designed cross-transformer interaction module, which would benefit the smoothness of generated videos. Besides, we also introduce motion decomposer and combiner to faciliate the operation on video motion. Qualitative and quantitative experiments demonstrate that our method could produce amazing continuous videos with fewer flickers.

We introduce bounded generation as a generalized task to control video generation to synthesize arbitrary camera and subject motion based only on a given start and end frame. Our objective is to fully leverage the inherent generalization capability of an image-to-video model without additional training or fine-tuning of the original model. This is achieved through the proposed new sampling strategy, which we call Time Reversal Fusion, that fuses the temporally forward and backward denoising paths conditioned on the start and end frame, respectively. The fused path results in a video that smoothly connects the two frames, generating inbetweening of faithful subject motion, novel views of static scenes, and seamless video looping when the two bounding frames are identical. We curate a diverse evaluation dataset of image pairs and compare against the closest existing methods. We find that Time Reversal Fusion outperforms related work on all subtasks, exhibiting the ability to generate complex motions and 3D-consistent views guided by bounded frames. See project page at https://time-reversal.github.io.

Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow connections to multiple atoms through single bonds, solely using pair-wise distance to model molecule geometries is insufficient. Therefore, the first one involves proposing an effective neural network as the denoising kernel that is capable to capture complex multi-body interatomic relationships and learn high-quality features. Due to the discrete nature of graphs, mainstream diffusion-based methods for molecules heavily rely on predefined rules and generate edges in an indirect manner. The second challenge involves accommodating molecule generation to diffusion and accurately predicting the existence of bonds. In our research, we view the iterative way of updating molecule conformations in diffusion process is consistent with molecular dynamics and introduce a novel molecule generation method named Geometric-Facilitated Molecular Diffusion (GFMDiff). For the first challenge, we introduce a Dual-Track Transformer Network (DTN) to fully excevate global spatial relationships and learn high quality representations which contribute to accurate predictions of features and geometries. As for the second challenge, we design Geometric-Facilitated Loss (GFLoss) which intervenes the formation of bonds during the training period, instead of directly embedding edges into the latent space. Comprehensive experiments on current benchmarks demonstrate the superiority of GFMDiff.

This work puts forth a new optimal design formulation for planar elastic membranes. The goal is to minimize the membrane's compliance through choosing the material distribution described by a positive Radon measure. The deformation of the membrane itself is governed by the convexified F\"{o}ppl's model. The uniqueness of this model lies in the convexity of its variational formulation despite the inherent nonlinearity of the strain-displacement relation. It makes it possible to rewrite the optimization problem as a pair of mutually dual convex variational problems. In the primal problem a linear functional is maximized with respect to displacement functions while enforcing that point-wisely the strain lies in an unbounded closed convex set. The dual problem consists in finding equilibrated stresses that are to minimize a convex integral functional of linear growth defined on the space of Radon measures. The pair of problems is analysed: existence and regularity results are provided, together with the system of optimality criteria. To demonstrate the computational potential of the pair, a finite element scheme is developed around it. Upon reformulation to a conic-quadratic & semi-definite programming problem, the method is employed to produce numerical simulations for several load case scenarios.

We present DIPO, a novel framework for the controllable generation of articulated 3D objects from a pair of images: one depicting the object in a resting state and the other in an articulated state. Compared to the single-image approach, our dual-image input imposes only a modest overhead for data collection, but at the same time provides important motion information, which is a reliable guide for predicting kinematic relationships between parts. Specifically, we propose a dual-image diffusion model that captures relationships between the image pair to generate part layouts and joint parameters. In addition, we introduce a Chain-of-Thought (CoT) based graph reasoner that explicitly infers part connectivity relationships. To further improve robustness and generalization on complex articulated objects, we develop a fully automated dataset expansion pipeline, name LEGO-Art, that enriches the diversity and complexity of PartNet-Mobility dataset. We propose PM-X, a large-scale dataset of complex articulated 3D objects, accompanied by rendered images, URDF annotations, and textual descriptions. Extensive experiments demonstrate that DIPO significantly outperforms existing baselines in both the resting state and the articulated state, while the proposed PM-X dataset further enhances generalization to diverse and structurally complex articulated objects. Our code and dataset will be released to the community upon publication.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Recently, various methods have been proposed to address the inconsistency issue of DDIM inversion to enable image editing, such as EDICT [36] and Null-text inversion [22]. However, the above methods introduce considerable computational overhead. In this paper, we propose a new technique, named bi-directional integration approximation (BDIA), to perform exact diffusion inversion with neglible computational overhead. Suppose we would like to estimate the next diffusion state z_{i-1} at timestep t_i with the historical information (i,z_i) and (i+1,z_{i+1}). We first obtain the estimated Gaussian noise boldsymbol{epsilon}(z_i,i), and then apply the DDIM update procedure twice for approximating the ODE integration over the next time-slot [t_i, t_{i-1}] in the forward manner and the previous time-slot [t_i, t_{t+1}] in the backward manner. The DDIM step for the previous time-slot is used to refine the integration approximation made earlier when computing z_i. A nice property of BDIA-DDIM is that the update expression for z_{i-1} is a linear combination of (z_{i+1}, z_i, boldsymbol{epsilon}(z_i,i)). This allows for exact backward computation of z_{i+1} given (z_i, z_{i-1}), thus leading to exact diffusion inversion. It is demonstrated with experiments that (round-trip) BDIA-DDIM is particularly effective for image editing. Our experiments further show that BDIA-DDIM produces markedly better image sampling qualities than DDIM for text-to-image generation. BDIA can also be applied to improve the performance of other ODE solvers in addition to DDIM. In our work, it is found that applying BDIA to the EDM sampling procedure produces consistently better performance over four pre-trained models.

We present Dual3D, a novel text-to-3D generation framework that generates high-quality 3D assets from texts in only 1 minute.The key component is a dual-mode multi-view latent diffusion model. Given the noisy multi-view latents, the 2D mode can efficiently denoise them with a single latent denoising network, while the 3D mode can generate a tri-plane neural surface for consistent rendering-based denoising. Most modules for both modes are tuned from a pre-trained text-to-image latent diffusion model to circumvent the expensive cost of training from scratch. To overcome the high rendering cost during inference, we propose the dual-mode toggling inference strategy to use only 1/10 denoising steps with 3D mode, successfully generating a 3D asset in just 10 seconds without sacrificing quality. The texture of the 3D asset can be further enhanced by our efficient texture refinement process in a short time. Extensive experiments demonstrate that our method delivers state-of-the-art performance while significantly reducing generation time. Our project page is available at https://dual3d.github.io

In this work, we propose a novel Trajectory Score Matching (TSM) method that aims to solve the pseudo ground truth inconsistency problem caused by the accumulated error in Interval Score Matching (ISM) when using the Denoising Diffusion Implicit Models (DDIM) inversion process. Unlike ISM which adopts the inversion process of DDIM to calculate on a single path, our TSM method leverages the inversion process of DDIM to generate two paths from the same starting point for calculation. Since both paths start from the same starting point, TSM can reduce the accumulated error compared to ISM, thus alleviating the problem of pseudo ground truth inconsistency. TSM enhances the stability and consistency of the model's generated paths during the distillation process. We demonstrate this experimentally and further show that ISM is a special case of TSM. Furthermore, to optimize the current multi-stage optimization process from high-resolution text to 3D generation, we adopt Stable Diffusion XL for guidance. In response to the issues of abnormal replication and splitting caused by unstable gradients during the 3D Gaussian splatting process when using Stable Diffusion XL, we propose a pixel-by-pixel gradient clipping method. Extensive experiments show that our model significantly surpasses the state-of-the-art models in terms of visual quality and performance. Code: https://github.com/xingy038/Dreamer-XL.

Diffusion Transformer (DiT)-based video diffusion models generate high-quality videos at scale but incur prohibitive processing latency and memory costs for long videos. To address this, we propose a novel distributed inference strategy, termed DualParal. The core idea is that, instead of generating an entire video on a single GPU, we parallelize both temporal frames and model layers across GPUs. However, a naive implementation of this division faces a key limitation: since diffusion models require synchronized noise levels across frames, this implementation leads to the serialization of original parallelisms. We leverage a block-wise denoising scheme to handle this. Namely, we process a sequence of frame blocks through the pipeline with progressively decreasing noise levels. Each GPU handles a specific block and layer subset while passing previous results to the next GPU, enabling asynchronous computation and communication. To further optimize performance, we incorporate two key enhancements. Firstly, a feature cache is implemented on each GPU to store and reuse features from the prior block as context, minimizing inter-GPU communication and redundant computation. Secondly, we employ a coordinated noise initialization strategy, ensuring globally consistent temporal dynamics by sharing initial noise patterns across GPUs without extra resource costs. Together, these enable fast, artifact-free, and infinitely long video generation. Applied to the latest diffusion transformer video generator, our method efficiently produces 1,025-frame videos with up to 6.54times lower latency and 1.48times lower memory cost on 8timesRTX 4090 GPUs.

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

Primal-dual safe RL methods commonly perform iterations between the primal update of the policy and the dual update of the Lagrange Multiplier. Such a training paradigm is highly susceptible to the error in cumulative cost estimation since this estimation serves as the key bond connecting the primal and dual update processes. We show that this problem causes significant underestimation of cost when using off-policy methods, leading to the failure to satisfy the safety constraint. To address this issue, we propose conservative policy optimization, which learns a policy in a constraint-satisfying area by considering the uncertainty in cost estimation. This improves constraint satisfaction but also potentially hinders reward maximization. We then introduce local policy convexification to help eliminate such suboptimality by gradually reducing the estimation uncertainty. We provide theoretical interpretations of the joint coupling effect of these two ingredients and further verify them by extensive experiments. Results on benchmark tasks show that our method not only achieves an asymptotic performance comparable to state-of-the-art on-policy methods while using much fewer samples, but also significantly reduces constraint violation during training. Our code is available at https://github.com/ZifanWu/CAL.

Diffusion models have achieved remarkable success in image generation and editing tasks. Inversion within these models aims to recover the latent noise representation for a real or generated image, enabling reconstruction, editing, and other downstream tasks. However, to date, most inversion approaches suffer from an intrinsic trade-off between reconstruction accuracy and editing flexibility. This limitation arises from the difficulty of maintaining both semantic alignment and structural consistency during the inversion process. In this work, we introduce Dual-Conditional Inversion (DCI), a novel framework that jointly conditions on the source prompt and reference image to guide the inversion process. Specifically, DCI formulates the inversion process as a dual-condition fixed-point optimization problem, minimizing both the latent noise gap and the reconstruction error under the joint guidance. This design anchors the inversion trajectory in both semantic and visual space, leading to more accurate and editable latent representations. Our novel setup brings new understanding to the inversion process. Extensive experiments demonstrate that DCI achieves state-of-the-art performance across multiple editing tasks, significantly improving both reconstruction quality and editing precision. Furthermore, we also demonstrate that our method achieves strong results in reconstruction tasks, implying a degree of robustness and generalizability approaching the ultimate goal of the inversion process.

We study the optimisation problem associated with Gaussian process regression using squared loss. The most common approach to this problem is to apply an exact solver, such as conjugate gradient descent, either directly, or to a reduced-order version of the problem. Recently, driven by successes in deep learning, stochastic gradient descent has gained traction as an alternative. In this paper, we show that when done rightx2014by which we mean using specific insights from the optimisation and kernel communitiesx2014this approach is highly effective. We thus introduce a particular stochastic dual gradient descent algorithm, that may be implemented with a few lines of code using any deep learning framework. We explain our design decisions by illustrating their advantage against alternatives with ablation studies and show that the new method is highly competitive. Our evaluations on standard regression benchmarks and a Bayesian optimisation task set our approach apart from preconditioned conjugate gradients, variational Gaussian process approximations, and a previous version of stochastic gradient descent for Gaussian processes. On a molecular binding affinity prediction task, our method places Gaussian process regression on par in terms of performance with state-of-the-art graph neural networks.

Continuous-space video generation has advanced rapidly, while discrete approaches lag behind due to error accumulation and long-context inconsistency. In this work, we revisit discrete generative modeling and present Uniform discRete diffuSion with metric pAth (URSA), a simple yet powerful framework that bridges the gap with continuous approaches for the scalable video generation. At its core, URSA formulates the video generation task as an iterative global refinement of discrete spatiotemporal tokens. It integrates two key designs: a Linearized Metric Path and a Resolution-dependent Timestep Shifting mechanism. These designs enable URSA to scale efficiently to high-resolution image synthesis and long-duration video generation, while requiring significantly fewer inference steps. Additionally, we introduce an asynchronous temporal fine-tuning strategy that unifies versatile tasks within a single model, including interpolation and image-to-video generation. Extensive experiments on challenging video and image generation benchmarks demonstrate that URSA consistently outperforms existing discrete methods and achieves performance comparable to state-of-the-art continuous diffusion methods. Code and models are available at https://github.com/baaivision/URSA

Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using differentiable simulations (DiffSim) for the discovery and enhanced sampling of chemical transformations without a need to resort to preselected CVs, using only a distance metric. Reaction path discovery and estimation of the biasing potential that enhances the sampling are merged into a single end-to-end problem that is solved by path-integral optimization. This is achieved by introducing multiple improvements over standard DiffSim such as partial backpropagation and graph mini-batching making DiffSim training stable and efficient. The potential of DiffSim is demonstrated in the successful discovery of transition paths for the Muller-Brown model potential as well as a benchmark chemical system - alanine dipeptide.

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

Most image completion methods produce only one result for each masked input, although there may be many reasonable possibilities. In this paper, we present an approach for pluralistic image completion -- the task of generating multiple and diverse plausible solutions for image completion. A major challenge faced by learning-based approaches is that usually only one ground truth training instance per label. As such, sampling from conditional VAEs still leads to minimal diversity. To overcome this, we propose a novel and probabilistically principled framework with two parallel paths. One is a reconstructive path that utilizes the only one given ground truth to get prior distribution of missing parts and rebuild the original image from this distribution. The other is a generative path for which the conditional prior is coupled to the distribution obtained in the reconstructive path. Both are supported by GANs. We also introduce a new short+long term attention layer that exploits distant relations among decoder and encoder features, improving appearance consistency. When tested on datasets with buildings (Paris), faces (CelebA-HQ), and natural images (ImageNet), our method not only generated higher-quality completion results, but also with multiple and diverse plausible outputs.

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding of graduate-level concepts such as Langevin dynamics or score matching appears to be required to grasp how it works. We propose an alternative approach that requires no more than undergrad calculus and probability. We consider two densities and observe what happens when random samples from these densities are blended (linearly interpolated). We show that iteratively blending and deblending samples produces random paths between the two densities that converge toward a deterministic mapping. This mapping can be evaluated with a neural network trained to deblend samples. We obtain a model that behaves like deterministic denoising diffusion: it iteratively maps samples from one density (e.g., Gaussian noise) to another (e.g., cat images). However, compared to the state-of-the-art alternative, our model is simpler to derive, simpler to implement, more numerically stable, achieves higher quality results in our experiments, and has interesting connections to computer graphics.

We consider the dictionary-based ROM-net (Reduced Order Model) framework [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced modeling and Simulation in Engineering Sciences 7 (16), 2020] and summarize the underlying methodologies and their recent improvements. The main contribution of this work is the application of the complete workflow to a real-life industrial model of an elastoviscoplastic high-pressure turbine blade subjected to thermal, centrifugal and pressure loadings, for the quantification of the uncertainty on dual quantities (such as the accumulated plastic strain and the stress tensor), generated by the uncertainty on the temperature loading field. The dictionary-based ROM-net computes predictions of dual quantities of interest for 1008 Monte Carlo draws of the temperature loading field in 2 hours and 48 minutes, which corresponds to a speedup greater than 600 with respect to a reference parallel solver using domain decomposition, with a relative error in the order of 2%. Another contribution of this work consists in the derivation of a meta-model to reconstruct the dual quantities of interest over the complete mesh from their values on the reduced integration points.

We introduce the Joint Video-Image Diffusion model (JVID), a novel approach to generating high-quality and temporally coherent videos. We achieve this by integrating two diffusion models: a Latent Image Diffusion Model (LIDM) trained on images and a Latent Video Diffusion Model (LVDM) trained on video data. Our method combines these models in the reverse diffusion process, where the LIDM enhances image quality and the LVDM ensures temporal consistency. This unique combination allows us to effectively handle the complex spatio-temporal dynamics in video generation. Our results demonstrate quantitative and qualitative improvements in producing realistic and coherent videos.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Diffusion bridges have shown potential in paired image-to-image (I2I) translation tasks. However, existing methods are limited by their unidirectional nature, requiring separate models for forward and reverse translations. This not only doubles the computational cost but also restricts their practicality. In this work, we introduce the Bidirectional Diffusion Bridge Model (BDBM), a scalable approach that facilitates bidirectional translation between two coupled distributions using a single network. BDBM leverages the Chapman-Kolmogorov Equation for bridges, enabling it to model data distribution shifts across timesteps in both forward and backward directions by exploiting the interchangeability of the initial and target timesteps within this framework. Notably, when the marginal distribution given endpoints is Gaussian, BDBM's transition kernels in both directions possess analytical forms, allowing for efficient learning with a single network. We demonstrate the connection between BDBM and existing bridge methods, such as Doob's h-transform and variational approaches, and highlight its advantages. Extensive experiments on high-resolution I2I translation tasks demonstrate that BDBM not only enables bidirectional translation with minimal additional cost but also outperforms state-of-the-art bridge models. Our source code is available at [https://github.com/kvmduc/BDBM||https://github.com/kvmduc/BDBM].

The integration of online reinforcement learning (RL) into diffusion and flow models has recently emerged as a promising approach for aligning generative models with human preferences. Stochastic sampling via Stochastic Differential Equations (SDE) is employed during the denoising process to generate diverse denoising directions for RL exploration. While existing methods effectively explore potential high-value samples, they suffer from sub-optimal preference alignment due to sparse and narrow reward signals. To address these challenges, we propose a novel Granular-GRPO (G^2RPO ) framework that achieves precise and comprehensive reward assessments of sampling directions in reinforcement learning of flow models. Specifically, a Singular Stochastic Sampling strategy is introduced to support step-wise stochastic exploration while enforcing a high correlation between the reward and the injected noise, thereby facilitating a faithful reward for each SDE perturbation. Concurrently, to eliminate the bias inherent in fixed-granularity denoising, we introduce a Multi-Granularity Advantage Integration module that aggregates advantages computed at multiple diffusion scales, producing a more comprehensive and robust evaluation of the sampling directions. Experiments conducted on various reward models, including both in-domain and out-of-domain evaluations, demonstrate that our G^2RPO significantly outperforms existing flow-based GRPO baselines,highlighting its effectiveness and robustness.