Daily Papers

Generating realistic and interactive dynamics of traffic participants according to specific instruction is critical for street scene simulation. However, there is currently a lack of a comprehensive method that generates realistic dynamics of different types of participants including vehicles and pedestrians, with different kinds of interactions between them. In this paper, we introduce ChatDyn, the first system capable of generating interactive, controllable and realistic participant dynamics in street scenes based on language instructions. To achieve precise control through complex language, ChatDyn employs a multi-LLM-agent role-playing approach, which utilizes natural language inputs to plan the trajectories and behaviors for different traffic participants. To generate realistic fine-grained dynamics based on the planning, ChatDyn designs two novel executors: the PedExecutor, a unified multi-task executor that generates realistic pedestrian dynamics under different task plannings; and the VehExecutor, a physical transition-based policy that generates physically plausible vehicle dynamics. Extensive experiments show that ChatDyn can generate realistic driving scene dynamics with multiple vehicles and pedestrians, and significantly outperforms previous methods on subtasks. Code and model will be available at https://vfishc.github.io/chatdyn.

Sim-to-real transfer remains a significant challenge in robotics due to the discrepancies between simulated and real-world dynamics. Traditional methods like Domain Randomization often fail to capture fine-grained dynamics, limiting their effectiveness for precise control tasks. In this work, we propose a novel approach that dynamically adjusts simulation environment parameters online using in-context learning. By leveraging past interaction histories as context, our method adapts the simulation environment dynamics to real-world dynamics without requiring gradient updates, resulting in faster and more accurate alignment between simulated and real-world performance. We validate our approach across two tasks: object scooping and table air hockey. In the sim-to-sim evaluations, our method significantly outperforms the baselines on environment parameter estimation by 80% and 42% in the object scooping and table air hockey setups, respectively. Furthermore, our method achieves at least 70% success rate in sim-to-real transfer on object scooping across three different objects. By incorporating historical interaction data, our approach delivers efficient and smooth system identification, advancing the deployment of robots in dynamic real-world scenarios. Demos are available on our project page: https://sim2real-capture.github.io/

Human motion, inherently continuous and dynamic, presents significant challenges for generative models. Despite their dominance, discrete quantization methods, such as VQ-VAEs, suffer from inherent limitations, including restricted expressiveness and frame-wise noise artifacts. Continuous approaches, while producing smoother and more natural motions, often falter due to high-dimensional complexity and limited training data. To resolve this "discord" between discrete and continuous representations, we introduce DisCoRD: Discrete Tokens to Continuous Motion via Rectified Flow Decoding, a novel method that decodes discrete motion tokens into continuous motion through rectified flow. By employing an iterative refinement process in the continuous space, DisCoRD captures fine-grained dynamics and ensures smoother and more natural motions. Compatible with any discrete-based framework, our method enhances naturalness without compromising faithfulness to the conditioning signals. Extensive evaluations demonstrate that DisCoRD achieves state-of-the-art performance, with FID of 0.032 on HumanML3D and 0.169 on KIT-ML. These results solidify DisCoRD as a robust solution for bridging the divide between discrete efficiency and continuous realism. Our project page is available at: https://whwjdqls.github.io/discord.github.io/.

Understanding fine-grained temporal dynamics is crucial for multimodal video comprehension and generation. Due to the lack of fine-grained temporal annotations, existing video benchmarks mostly resemble static image benchmarks and are incompetent at evaluating models for temporal understanding. In this paper, we introduce TemporalBench, a new benchmark dedicated to evaluating fine-grained temporal understanding in videos. TemporalBench consists of ~10K video question-answer pairs, derived from ~2K high-quality human annotations detailing the temporal dynamics in video clips. As a result, our benchmark provides a unique testbed for evaluating various temporal understanding and reasoning abilities such as action frequency, motion magnitude, event order, etc. Moreover, it enables evaluations on various tasks like both video question answering and captioning, both short and long video understanding, as well as different models such as multimodal video embedding models and text generation models. Results show that state-of-the-art models like GPT-4o achieve only 38.5% question answering accuracy on TemporalBench, demonstrating a significant gap (~30%) between humans and AI in temporal understanding. Furthermore, we notice a critical pitfall for multi-choice QA where LLMs can detect the subtle changes in negative captions and find a centralized description as a cue for its prediction, where we propose Multiple Binary Accuracy (MBA) to correct such bias. We hope that TemporalBench can foster research on improving models' temporal reasoning capabilities. Both dataset and evaluation code will be made available.

In today's digital age, conspiracies and information campaigns can emerge rapidly and erode social and democratic cohesion. While recent deep learning approaches have made progress in modeling engagement through language and propagation models, they struggle with irregularly sampled data and early trajectory assessment. We present IC-Mamba, a novel state space model that forecasts social media engagement by modeling interval-censored data with integrated temporal embeddings. Our model excels at predicting engagement patterns within the crucial first 15-30 minutes of posting (RMSE 0.118-0.143), enabling rapid assessment of content reach. By incorporating interval-censored modeling into the state space framework, IC-Mamba captures fine-grained temporal dynamics of engagement growth, achieving a 4.72% improvement over state-of-the-art across multiple engagement metrics (likes, shares, comments, and emojis). Our experiments demonstrate IC-Mamba's effectiveness in forecasting both post-level dynamics and broader narrative patterns (F1 0.508-0.751 for narrative-level predictions). The model maintains strong predictive performance across extended time horizons, successfully forecasting opinion-level engagement up to 28 days ahead using observation windows of 3-10 days. These capabilities enable earlier identification of potentially problematic content, providing crucial lead time for designing and implementing countermeasures. Code is available at: https://github.com/ltian678/ic-mamba. An interactive dashboard demonstrating our results is available at: https://ic-mamba.behavioral-ds.science.

Retrieval-augmented language models (RALMs) have shown strong performance and wide applicability in knowledge-intensive tasks. However, there are significant trustworthiness concerns as RALMs are prone to generating unfaithful outputs, including baseless information or contradictions with the retrieved context. This paper proposes SynCheck, a lightweight monitor that leverages fine-grained decoding dynamics including sequence likelihood, uncertainty quantification, context influence, and semantic alignment to synchronously detect unfaithful sentences. By integrating efficiently measurable and complementary signals, SynCheck enables accurate and immediate feedback and intervention, achieving 0.85 AUROC in detecting faithfulness errors across six long-form retrieval-augmented generation tasks, improving prior best method by 4%. Leveraging SynCheck, we further introduce FOD, a faithfulness-oriented decoding algorithm guided by beam search for long-form retrieval-augmented generation. Empirical results demonstrate that FOD outperforms traditional strategies such as abstention, reranking, or contrastive decoding significantly in terms of faithfulness, achieving over 10% improvement across six datasets.

Large language models (LLMs) with powerful generalization ability has been widely used in many domains. A systematic and reliable evaluation of LLMs is a crucial step in their development and applications, especially for specific professional fields. In the urban domain, there have been some early explorations about the usability of LLMs, but a systematic and scalable evaluation benchmark is still lacking. The challenge in constructing a systematic evaluation benchmark for the urban domain lies in the diversity of data and scenarios, as well as the complex and dynamic nature of cities. In this paper, we propose CityBench, an interactive simulator based evaluation platform, as the first systematic evaluation benchmark for the capability of LLMs for urban domain. First, we build CitySim to integrate the multi-source data and simulate fine-grained urban dynamics. Based on CitySim, we design 7 tasks in 2 categories of perception-understanding and decision-making group to evaluate the capability of LLMs as city-scale world model for urban domain. Due to the flexibility and ease-of-use of CitySim, our evaluation platform CityBench can be easily extended to any city in the world. We evaluate 13 well-known LLMs including open source LLMs and commercial LLMs in 13 cities around the world. Extensive experiments demonstrate the scalability and effectiveness of proposed CityBench and shed lights for the future development of LLMs in urban domain. The dataset, benchmark and source codes are openly accessible to the research community via https://github.com/tsinghua-fib-lab/CityBench

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

While pretraining on large-scale image-text data from the Web has facilitated rapid progress on many vision-and-language (V&L) tasks, recent work has demonstrated that pretrained models lack "fine-grained" understanding, such as the ability to recognise relationships, verbs, and numbers in images. This has resulted in an increased interest in the community to either develop new benchmarks or models for such capabilities. To better understand and quantify progress in this direction, we investigate four competitive V&L models on four fine-grained benchmarks. Through our analysis, we find that X-VLM (Zeng et al., 2022) consistently outperforms other baselines, and that modelling innovations can impact performance more than scaling Web data, which even degrades performance sometimes. Through a deeper investigation of X-VLM, we highlight the importance of both novel losses and rich data sources for learning fine-grained skills. Finally, we inspect training dynamics, and discover that for some tasks, performance peaks early in training or significantly fluctuates, never converging.

Recent advances in text-to-image generation have enabled the creation of high-quality images with diverse applications. However, accurately describing desired visual attributes can be challenging, especially for non-experts in art and photography. An intuitive solution involves adopting favorable attributes from the source images. Current methods attempt to distill identity and style from source images. However, "style" is a broad concept that includes texture, color, and artistic elements, but does not cover other important attributes such as lighting and dynamics. Additionally, a simplified "style" adaptation prevents combining multiple attributes from different sources into one generated image. In this work, we formulate a more effective approach to decompose the aesthetics of a picture into specific visual attributes, allowing users to apply characteristics such as lighting, texture, and dynamics from different images. To achieve this goal, we constructed the first fine-grained visual attributes dataset (FiVA) to the best of our knowledge. This FiVA dataset features a well-organized taxonomy for visual attributes and includes around 1 M high-quality generated images with visual attribute annotations. Leveraging this dataset, we propose a fine-grained visual attribute adaptation framework (FiVA-Adapter), which decouples and adapts visual attributes from one or more source images into a generated one. This approach enhances user-friendly customization, allowing users to selectively apply desired attributes to create images that meet their unique preferences and specific content requirements.

In this paper, we delve into the intricate dynamics of Fine-Grained Sketch-Based Image Retrieval (FG-SBIR) by addressing a critical yet overlooked aspect -- the choice of viewpoint during sketch creation. Unlike photo systems that seamlessly handle diverse views through extensive datasets, sketch systems, with limited data collected from fixed perspectives, face challenges. Our pilot study, employing a pre-trained FG-SBIR model, highlights the system's struggle when query-sketches differ in viewpoint from target instances. Interestingly, a questionnaire however shows users desire autonomy, with a significant percentage favouring view-specific retrieval. To reconcile this, we advocate for a view-aware system, seamlessly accommodating both view-agnostic and view-specific tasks. Overcoming dataset limitations, our first contribution leverages multi-view 2D projections of 3D objects, instilling cross-modal view awareness. The second contribution introduces a customisable cross-modal feature through disentanglement, allowing effortless mode switching. Extensive experiments on standard datasets validate the effectiveness of our method.

Dynamic Facial Expression Recognition (DFER) is crucial for understanding human behavior. However, current methods exhibit limited performance mainly due to the scarcity of high-quality data, the insufficient utilization of facial dynamics, and the ambiguity of expression semantics, etc. To this end, we propose a novel framework, named Multi-modal Fine-grained CLIP for Dynamic Facial Expression Recognition with AdaptERs (FineCLIPER), incorporating the following novel designs: 1) To better distinguish between similar facial expressions, we extend the class labels to textual descriptions from both positive and negative aspects, and obtain supervision by calculating the cross-modal similarity based on the CLIP model; 2) Our FineCLIPER adopts a hierarchical manner to effectively mine useful cues from DFE videos. Specifically, besides directly embedding video frames as input (low semantic level), we propose to extract the face segmentation masks and landmarks based on each frame (middle semantic level) and utilize the Multi-modal Large Language Model (MLLM) to further generate detailed descriptions of facial changes across frames with designed prompts (high semantic level). Additionally, we also adopt Parameter-Efficient Fine-Tuning (PEFT) to enable efficient adaptation of large pre-trained models (i.e., CLIP) for this task. Our FineCLIPER achieves SOTA performance on the DFEW, FERV39k, and MAFW datasets in both supervised and zero-shot settings with few tunable parameters. Project Page: https://haroldchen19.github.io/FineCLIPER-Page/

Although existing speech-driven talking face generation methods achieve significant progress, they are far from real-world application due to the avatar-specific training demand and unstable lip movements. To address the above issues, we propose the GSmoothFace, a novel two-stage generalized talking face generation model guided by a fine-grained 3d face model, which can synthesize smooth lip dynamics while preserving the speaker's identity. Our proposed GSmoothFace model mainly consists of the Audio to Expression Prediction (A2EP) module and the Target Adaptive Face Translation (TAFT) module. Specifically, we first develop the A2EP module to predict expression parameters synchronized with the driven speech. It uses a transformer to capture the long-term audio context and learns the parameters from the fine-grained 3D facial vertices, resulting in accurate and smooth lip-synchronization performance. Afterward, the well-designed TAFT module, empowered by Morphology Augmented Face Blending (MAFB), takes the predicted expression parameters and target video as inputs to modify the facial region of the target video without distorting the background content. The TAFT effectively exploits the identity appearance and background context in the target video, which makes it possible to generalize to different speakers without retraining. Both quantitative and qualitative experiments confirm the superiority of our method in terms of realism, lip synchronization, and visual quality. See the project page for code, data, and request pre-trained models: https://zhanghm1995.github.io/GSmoothFace.

Existing Video Corpus Moment Retrieval (VCMR) is limited to coarse-grained understanding, which hinders precise video moment localization when given fine-grained queries. In this paper, we propose a more challenging fine-grained VCMR benchmark requiring methods to localize the best-matched moment from the corpus with other partially matched candidates. To improve the dataset construction efficiency and guarantee high-quality data annotations, we propose VERIFIED, an automatic VidEo-text annotation pipeline to generate captions with RelIable FInE-grained statics and Dynamics. Specifically, we resort to large language models (LLM) and large multimodal models (LMM) with our proposed Statics and Dynamics Enhanced Captioning modules to generate diverse fine-grained captions for each video. To filter out the inaccurate annotations caused by the LLM hallucination, we propose a Fine-Granularity Aware Noise Evaluator where we fine-tune a video foundation model with disturbed hard-negatives augmented contrastive and matching losses. With VERIFIED, we construct a more challenging fine-grained VCMR benchmark containing Charades-FIG, DiDeMo-FIG, and ActivityNet-FIG which demonstrate a high level of annotation quality. We evaluate several state-of-the-art VCMR models on the proposed dataset, revealing that there is still significant scope for fine-grained video understanding in VCMR. Code and Datasets are in https://github.com/hlchen23/VERIFIED{https://github.com/hlchen23/VERIFIED}.

Text-to-video (T2V) synthesis has gained increasing attention in the community, in which the recently emerged diffusion models (DMs) have promisingly shown stronger performance than the past approaches. While existing state-of-the-art DMs are competent to achieve high-resolution video generation, they may largely suffer from key limitations (e.g., action occurrence disorders, crude video motions) with respect to the intricate temporal dynamics modeling, one of the crux of video synthesis. In this work, we investigate strengthening the awareness of video dynamics for DMs, for high-quality T2V generation. Inspired by human intuition, we design an innovative dynamic scene manager (dubbed as Dysen) module, which includes (step-1) extracting from input text the key actions with proper time-order arrangement, (step-2) transforming the action schedules into the dynamic scene graph (DSG) representations, and (step-3) enriching the scenes in the DSG with sufficient and reasonable details. Taking advantage of the existing powerful LLMs (e.g., ChatGPT) via in-context learning, Dysen realizes (nearly) human-level temporal dynamics understanding. Finally, the resulting video DSG with rich action scene details is encoded as fine-grained spatio-temporal features, integrated into the backbone T2V DM for video generating. Experiments on popular T2V datasets suggest that our framework consistently outperforms prior arts with significant margins, especially in the scenario with complex actions. Project page at https://haofei.vip/Dysen-VDM

Earth Observation (EO) data are increasingly used in policy analysis by enabling granular estimation of treatment effects. However, a challenge in EO-based causal inference lies in balancing the trade-off between capturing fine-grained individual heterogeneity and broader contextual information. This paper introduces Multi-scale Concatenation, a family of composable procedures that transform arbitrary single-scale CATE estimation algorithms into multi-scale algorithms. We benchmark the performance of Multi-scale Concatenation on a CATE estimation pipeline combining Vision Transformer (ViT) models fine-tuned on satellite images to encode images of different scales with Causal Forests to obtain the final CATE estimate. We first perform simulation studies, showing how a multi-scale approach captures multi-level dynamics that single-scale ViT models fail to capture. We then apply the multi-scale method to two randomized controlled trials (RCTs) conducted in Peru and Uganda using Landsat satellite imagery. In the RCT analysis, the Rank Average Treatment Effect Ratio (RATE Ratio) measure is employed to assess performance without ground truth individual treatment effects. Results indicate that Multi-scale Concatenation improves the performance of deep learning models in EO-based CATE estimation without the complexity of designing new multi-scale architectures for a specific use case.

In the field of natural language processing, open-domain chatbots have emerged as an important research topic. However, a major limitation of existing open-domain chatbot research is its singular focus on short single-session dialogue, neglecting the potential need for understanding contextual information in multiple consecutive sessions that precede an ongoing dialogue. Among the elements that compose the context in multi-session conversation settings, the time intervals between sessions and the relationships between speakers would be particularly important. Despite their importance, current research efforts have not sufficiently addressed these dialogical components. In this paper, we introduce a new 1M multi-session dialogue dataset, called Conversation Chronicles, for implementing a long-term conversation setup in which time intervals and fine-grained speaker relationships are incorporated. Following recent works, we exploit a large language model to produce the data. The extensive human evaluation shows that dialogue episodes in Conversation Chronicles reflect those properties while maintaining coherent and consistent interactions across all the sessions. We also propose a dialogue model, called ReBot, which consists of chronological summarization and dialogue generation modules using only around 630M parameters. When trained on Conversation Chronicles, ReBot demonstrates long-term context understanding with a high human engagement score.

Recent advancements in video autoencoders (Video AEs) have significantly improved the quality and efficiency of video generation. In this paper, we propose a novel and compact video autoencoder, VidTwin, that decouples video into two distinct latent spaces: Structure latent vectors, which capture overall content and global movement, and Dynamics latent vectors, which represent fine-grained details and rapid movements. Specifically, our approach leverages an Encoder-Decoder backbone, augmented with two submodules for extracting these latent spaces, respectively. The first submodule employs a Q-Former to extract low-frequency motion trends, followed by downsampling blocks to remove redundant content details. The second averages the latent vectors along the spatial dimension to capture rapid motion. Extensive experiments show that VidTwin achieves a high compression rate of 0.20% with high reconstruction quality (PSNR of 28.14 on the MCL-JCV dataset), and performs efficiently and effectively in downstream generative tasks. Moreover, our model demonstrates explainability and scalability, paving the way for future research in video latent representation and generation. Our code has been released at https://github.com/microsoft/VidTok/tree/main/vidtwin.

Fine-grained alignment between videos and text is challenging due to complex spatial and temporal dynamics in videos. Existing video-based Large Multimodal Models (LMMs) handle basic conversations but struggle with precise pixel-level grounding in videos. To address this, we introduce VideoGLaMM, a LMM designed for fine-grained pixel-level grounding in videos based on user-provided textual inputs. Our design seamlessly connects three key components: a Large Language Model, a dual vision encoder that emphasizes both spatial and temporal details, and a spatio-temporal decoder for accurate mask generation. This connection is facilitated via tunable V-L and L-V adapters that enable close Vision-Language (VL) alignment. The architecture is trained to synchronize both spatial and temporal elements of video content with textual instructions. To enable fine-grained grounding, we curate a multimodal dataset featuring detailed visually-grounded conversations using a semiautomatic annotation pipeline, resulting in a diverse set of 38k video-QA triplets along with 83k objects and 671k masks. We evaluate VideoGLaMM on three challenging tasks: Grounded Conversation Generation, Visual Grounding, and Referring Video Segmentation. Experimental results show that our model consistently outperforms existing approaches across all three tasks.

3D facial avatar reconstruction has been a significant research topic in computer graphics and computer vision, where photo-realistic rendering and flexible controls over poses and expressions are necessary for many related applications. Recently, its performance has been greatly improved with the development of neural radiance fields (NeRF). However, most existing NeRF-based facial avatars focus on subject-specific reconstruction and reenactment, requiring multi-shot images containing different views of the specific subject for training, and the learned model cannot generalize to new identities, limiting its further applications. In this work, we propose a one-shot 3D facial avatar reconstruction framework that only requires a single source image to reconstruct a high-fidelity 3D facial avatar. For the challenges of lacking generalization ability and missing multi-view information, we leverage the generative prior of 3D GAN and develop an efficient encoder-decoder network to reconstruct the canonical neural volume of the source image, and further propose a compensation network to complement facial details. To enable fine-grained control over facial dynamics, we propose a deformation field to warp the canonical volume into driven expressions. Through extensive experimental comparisons, we achieve superior synthesis results compared to several state-of-the-art methods.

Binary silhouettes and keypoint-based skeletons have dominated human gait recognition studies for decades since they are easy to extract from video frames. Despite their success in gait recognition for in-the-lab environments, they usually fail in real-world scenarios due to their low information entropy for gait representations. To achieve accurate gait recognition in the wild, this paper presents a novel gait representation, named Gait Parsing Sequence (GPS). GPSs are sequences of fine-grained human segmentation, i.e., human parsing, extracted from video frames, so they have much higher information entropy to encode the shapes and dynamics of fine-grained human parts during walking. Moreover, to effectively explore the capability of the GPS representation, we propose a novel human parsing-based gait recognition framework, named ParsingGait. ParsingGait contains a Convolutional Neural Network (CNN)-based backbone and two light-weighted heads. The first head extracts global semantic features from GPSs, while the other one learns mutual information of part-level features through Graph Convolutional Networks to model the detailed dynamics of human walking. Furthermore, due to the lack of suitable datasets, we build the first parsing-based dataset for gait recognition in the wild, named Gait3D-Parsing, by extending the large-scale and challenging Gait3D dataset. Based on Gait3D-Parsing, we comprehensively evaluate our method and existing gait recognition methods. The experimental results show a significant improvement in accuracy brought by the GPS representation and the superiority of ParsingGait. The code and dataset are available at https://gait3d.github.io/gait3d-parsing-hp .

We present MicroCinema, a straightforward yet effective framework for high-quality and coherent text-to-video generation. Unlike existing approaches that align text prompts with video directly, MicroCinema introduces a Divide-and-Conquer strategy which divides the text-to-video into a two-stage process: text-to-image generation and image\&text-to-video generation. This strategy offers two significant advantages. a) It allows us to take full advantage of the recent advances in text-to-image models, such as Stable Diffusion, Midjourney, and DALLE, to generate photorealistic and highly detailed images. b) Leveraging the generated image, the model can allocate less focus to fine-grained appearance details, prioritizing the efficient learning of motion dynamics. To implement this strategy effectively, we introduce two core designs. First, we propose the Appearance Injection Network, enhancing the preservation of the appearance of the given image. Second, we introduce the Appearance Noise Prior, a novel mechanism aimed at maintaining the capabilities of pre-trained 2D diffusion models. These design elements empower MicroCinema to generate high-quality videos with precise motion, guided by the provided text prompts. Extensive experiments demonstrate the superiority of the proposed framework. Concretely, MicroCinema achieves SOTA zero-shot FVD of 342.86 on UCF-101 and 377.40 on MSR-VTT. See https://wangyanhui666.github.io/MicroCinema.github.io/ for video samples.

Recent advancements in personalized Text-to-Video (T2V) generation highlight the importance of integrating character-specific identities and actions. However, previous T2V models struggle with identity consistency and controllable motion dynamics, mainly due to limited fine-grained facial and action-based textual prompts, and datasets that overlook key human attributes and actions. To address these challenges, we propose MotionCharacter, an efficient and high-fidelity human video generation framework designed for identity preservation and fine-grained motion control. We introduce an ID-preserving module to maintain identity fidelity while allowing flexible attribute modifications, and further integrate ID-consistency and region-aware loss mechanisms, significantly enhancing identity consistency and detail fidelity. Additionally, our approach incorporates a motion control module that prioritizes action-related text while maintaining subject consistency, along with a dataset, Human-Motion, which utilizes large language models to generate detailed motion descriptions. For simplify user control during inference, we parameterize motion intensity through a single coefficient, allowing for easy adjustments. Extensive experiments highlight the effectiveness of MotionCharacter, demonstrating significant improvements in ID-preserving, high-quality video generation.

Cutting-edge robot learning techniques including foundation models and imitation learning from humans all pose huge demands on large-scale and high-quality datasets which constitute one of the bottleneck in the general intelligent robot fields. This paper presents the Kaiwu multimodal dataset to address the missing real-world synchronized multimodal data problems in the sophisticated assembling scenario,especially with dynamics information and its fine-grained labelling. The dataset first provides an integration of human,environment and robot data collection framework with 20 subjects and 30 interaction objects resulting in totally 11,664 instances of integrated actions. For each of the demonstration,hand motions,operation pressures,sounds of the assembling process,multi-view videos, high-precision motion capture information,eye gaze with first-person videos,electromyography signals are all recorded. Fine-grained multi-level annotation based on absolute timestamp,and semantic segmentation labelling are performed. Kaiwu dataset aims to facilitate robot learning,dexterous manipulation,human intention investigation and human-robot collaboration research.

Creating high-fidelity 3D head avatars has always been a research hotspot, but there remains a great challenge under lightweight sparse view setups. In this paper, we propose Gaussian Head Avatar represented by controllable 3D Gaussians for high-fidelity head avatar modeling. We optimize the neutral 3D Gaussians and a fully learned MLP-based deformation field to capture complex expressions. The two parts benefit each other, thereby our method can model fine-grained dynamic details while ensuring expression accuracy. Furthermore, we devise a well-designed geometry-guided initialization strategy based on implicit SDF and Deep Marching Tetrahedra for the stability and convergence of the training procedure. Experiments show our approach outperforms other state-of-the-art sparse-view methods, achieving ultra high-fidelity rendering quality at 2K resolution even under exaggerated expressions.

3D occupancy, an advanced perception technology for driving scenarios, represents the entire scene without distinguishing between foreground and background by quantifying the physical space into a grid map. The widely adopted projection-first deformable attention, efficient in transforming image features into 3D representations, encounters challenges in aggregating multi-view features due to sensor deployment constraints. To address this issue, we propose our learning-first view attention mechanism for effective multi-view feature aggregation. Moreover, we showcase the scalability of our view attention across diverse multi-view 3D tasks, including map construction and 3D object detection. Leveraging the proposed view attention as well as an additional multi-frame streaming temporal attention, we introduce ViewFormer, a vision-centric transformer-based framework for spatiotemporal feature aggregation. To further explore occupancy-level flow representation, we present FlowOcc3D, a benchmark built on top of existing high-quality datasets. Qualitative and quantitative analyses on this benchmark reveal the potential to represent fine-grained dynamic scenes. Extensive experiments show that our approach significantly outperforms prior state-of-the-art methods. The codes are available at https://github.com/ViewFormerOcc/ViewFormer-Occ.

Traditional recommendation systems estimate user preference on items from past interaction history, thus suffering from the limitations of obtaining fine-grained and dynamic user preference. Conversational recommendation system (CRS) brings revolutions to those limitations by enabling the system to directly ask users about their preferred attributes on items. However, existing CRS methods do not make full use of such advantage -- they only use the attribute feedback in rather implicit ways such as updating the latent user representation. In this paper, we propose Conversational Path Reasoning (CPR), a generic framework that models conversational recommendation as an interactive path reasoning problem on a graph. It walks through the attribute vertices by following user feedback, utilizing the user preferred attributes in an explicit way. By leveraging on the graph structure, CPR is able to prune off many irrelevant candidate attributes, leading to better chance of hitting user preferred attributes. To demonstrate how CPR works, we propose a simple yet effective instantiation named SCPR (Simple CPR). We perform empirical studies on the multi-round conversational recommendation scenario, the most realistic CRS setting so far that considers multiple rounds of asking attributes and recommending items. Through extensive experiments on two datasets Yelp and LastFM, we validate the effectiveness of our SCPR, which significantly outperforms the state-of-the-art CRS methods EAR (arXiv:2002.09102) and CRM (arXiv:1806.03277). In particular, we find that the more attributes there are, the more advantages our method can achieve.

Recent advancements in video generation have significantly improved the ability to synthesize videos from text instructions. However, existing models still struggle with key challenges such as instruction misalignment, content hallucination, safety concerns, and bias. Addressing these limitations, we introduce MJ-BENCH-VIDEO, a large-scale video preference benchmark designed to evaluate video generation across five critical aspects: Alignment, Safety, Fineness, Coherence & Consistency, and Bias & Fairness. This benchmark incorporates 28 fine-grained criteria to provide a comprehensive evaluation of video preference. Building upon this dataset, we propose MJ-VIDEO, a Mixture-of-Experts (MoE)-based video reward model designed to deliver fine-grained reward. MJ-VIDEO can dynamically select relevant experts to accurately judge the preference based on the input text-video pair. This architecture enables more precise and adaptable preference judgments. Through extensive benchmarking on MJ-BENCH-VIDEO, we analyze the limitations of existing video reward models and demonstrate the superior performance of MJ-VIDEO in video preference assessment, achieving 17.58% and 15.87% improvements in overall and fine-grained preference judgments, respectively. Additionally, introducing MJ-VIDEO for preference tuning in video generation enhances the alignment performance. All our code, data, and models are available at https://aiming-lab.github.io/MJ-VIDEO.github.io/.

Large language models (LLMs) have revolutionized numerous applications, yet their deployment remains challenged by memory constraints on local devices. While scaling laws have enhanced LLM capabilities, the primary bottleneck has shifted from capability to availability, emphasizing the need for efficient memory management. Traditional compression methods, such as quantization, often require predefined compression ratios and separate compression processes for each setting, complicating deployment in variable memory environments. In this paper, we introduce BitStack, a novel, training-free weight compression approach that enables megabyte-level trade-offs between memory usage and model performance. By leveraging weight decomposition, BitStack can dynamically adjust the model size with minimal transmission between running memory and storage devices. Our approach iteratively decomposes weight matrices while considering the significance of each parameter, resulting in an approximately 1-bit per parameter residual block in each decomposition iteration. These blocks are sorted and stacked in storage as basic transmission units, with different quantities loaded based on current memory availability. Extensive experiments across a wide range of tasks demonstrate that, despite offering fine-grained size control, BitStack consistently matches or surpasses strong quantization baselines, particularly at extreme compression ratios. To the best of our knowledge, this is the first decomposition-based method that effectively bridges the gap to practical compression techniques like quantization. Code is available at https://github.com/xinghaow99/BitStack.

Image animation is a key task in computer vision which aims to generate dynamic visual content from static image. Recent image animation methods employ neural based rendering technique to generate realistic animations. Despite these advancements, achieving fine-grained and controllable image animation guided by text remains challenging, particularly for open-domain images captured in diverse real environments. In this paper, we introduce an open domain image animation method that leverages the motion prior of video diffusion model. Our approach introduces targeted motion area guidance and motion strength guidance, enabling precise control the movable area and its motion speed. This results in enhanced alignment between the animated visual elements and the prompting text, thereby facilitating a fine-grained and interactive animation generation process for intricate motion sequences. We validate the effectiveness of our method through rigorous experiments on an open-domain dataset, with the results showcasing its superior performance. Project page can be found at https://animationai.github.io/AnimateAnything.

We present a general strategy to aligning visual generation models -- both image and video generation -- with human preference. To start with, we build VisionReward -- a fine-grained and multi-dimensional reward model. We decompose human preferences in images and videos into multiple dimensions, each represented by a series of judgment questions, linearly weighted and summed to an interpretable and accurate score. To address the challenges of video quality assessment, we systematically analyze various dynamic features of videos, which helps VisionReward surpass VideoScore by 17.2% and achieve top performance for video preference prediction. Based on VisionReward, we develop a multi-objective preference learning algorithm that effectively addresses the issue of confounding factors within preference data. Our approach significantly outperforms existing image and video scoring methods on both machine metrics and human evaluation. All code and datasets are provided at https://github.com/THUDM/VisionReward.

Multimodal Large Language Models (MLLMs) have shown impressive results on various multimodal tasks. However, most existing MLLMs are not well suited for document-oriented tasks, which require fine-grained image perception and information compression. In this paper, we present TextHawk, a MLLM that is specifically designed for document-oriented tasks, while preserving the general capabilities of MLLMs. TextHawk is aimed to explore efficient fine-grained perception by designing four dedicated components. Firstly, a ReSampling and ReArrangement (ReSA) module is proposed to reduce the redundancy in the document texts and lower the computational cost of the MLLM. We explore encoding the positions of each local feature by presenting Scalable Positional Embeddings (SPEs), which can preserve the scalability of various image sizes. A Query Proposal Network (QPN) is then adopted to initialize the queries dynamically among different sub-images. To further enhance the fine-grained visual perceptual ability of the MLLM, we design a Multi-Level Cross-Attention (MLCA) mechanism that captures the hierarchical structure and semantic relations of document images. Furthermore, we create a new instruction-tuning dataset for document-oriented tasks by enriching the multimodal document data with Gemini Pro. We conduct extensive experiments on both general and document-oriented MLLM benchmarks, and show that TextHawk outperforms the state-of-the-art methods, demonstrating its effectiveness and superiority in fine-grained document perception and general abilities.

Recently proposed fine-grained 3D visual grounding is an essential and challenging task, whose goal is to identify the 3D object referred by a natural language sentence from other distractive objects of the same category. Existing works usually adopt dynamic graph networks to indirectly model the intra/inter-modal interactions, making the model difficult to distinguish the referred object from distractors due to the monolithic representations of visual and linguistic contents. In this work, we exploit Transformer for its natural suitability on permutation-invariant 3D point clouds data and propose a TransRefer3D network to extract entity-and-relation aware multimodal context among objects for more discriminative feature learning. Concretely, we devise an Entity-aware Attention (EA) module and a Relation-aware Attention (RA) module to conduct fine-grained cross-modal feature matching. Facilitated by co-attention operation, our EA module matches visual entity features with linguistic entity features while RA module matches pair-wise visual relation features with linguistic relation features, respectively. We further integrate EA and RA modules into an Entity-and-Relation aware Contextual Block (ERCB) and stack several ERCBs to form our TransRefer3D for hierarchical multimodal context modeling. Extensive experiments on both Nr3D and Sr3D datasets demonstrate that our proposed model significantly outperforms existing approaches by up to 10.6% and claims the new state-of-the-art. To the best of our knowledge, this is the first work investigating Transformer architecture for fine-grained 3D visual grounding task.

Despite significant advancements in Multimodal Large Language Models (MLLMs) for understanding complex human intentions through cross-modal interactions, capturing intricate image details remains challenging. Previous methods integrating multiple vision encoders to enhance visual detail introduce redundancy and computational overhead. We observe that most MLLMs utilize only the last-layer feature map of the vision encoder for visual representation, neglecting the rich fine-grained information in shallow feature maps. To address this issue, we propose \modelname, a simple yet effective multi-layer feature fuser that efficiently integrates deep and shallow features from Vision Transformers (ViTs). Specifically, it leverages semantically aligned deep features as queries to dynamically extract missing details from shallow features, thus preserving semantic alignment while enriching the representation with fine-grained information. Applied to the LLaVA-1.5 model, \modelname~achieves significant improvements in visual representation and benchmark performance, providing a more flexible and lightweight solution compared to multi-encoder ensemble methods. The code and model have been released at https://github.com/yuecao0119/MMFuser.

Deep hashing has been widely applied to large-scale image retrieval tasks owing to efficient computation and low storage cost by encoding high-dimensional image data into binary codes. Since binary codes do not contain as much information as float features, the essence of binary encoding is preserving the main context to guarantee retrieval quality. However, the existing hashing methods have great limitations on suppressing redundant background information and accurately encoding from Euclidean space to Hamming space by a simple sign function. In order to solve these problems, a Cross-Scale Context Extracted Hashing Network (CSCE-Net) is proposed in this paper. Firstly, we design a two-branch framework to capture fine-grained local information while maintaining high-level global semantic information. Besides, Attention guided Information Extraction module (AIE) is introduced between two branches, which suppresses areas of low context information cooperated with global sliding windows. Unlike previous methods, our CSCE-Net learns a content-related Dynamic Sign Function (DSF) to replace the original simple sign function. Therefore, the proposed CSCE-Net is context-sensitive and able to perform well on accurate image binary encoding. We further demonstrate that our CSCE-Net is superior to the existing hashing methods, which improves retrieval performance on standard benchmarks.

Most recent research on Text-to-SQL semantic parsing relies on either parser itself or simple heuristic based approach to understand natural language query (NLQ). When synthesizing a SQL query, there is no explicit semantic information of NLQ available to the parser which leads to undesirable generalization performance. In addition, without lexical-level fine-grained query understanding, linking between query and database can only rely on fuzzy string match which leads to suboptimal performance in real applications. In view of this, in this paper we present a general-purpose, modular neural semantic parsing framework that is based on token-level fine-grained query understanding. Our framework consists of three modules: named entity recognizer (NER), neural entity linker (NEL) and neural semantic parser (NSP). By jointly modeling query and database, NER model analyzes user intents and identifies entities in the query. NEL model links typed entities to schema and cell values in database. Parser model leverages available semantic information and linking results and synthesizes tree-structured SQL queries based on dynamically generated grammar. Experiments on SQUALL, a newly released semantic parsing dataset, show that we can achieve 56.8% execution accuracy on WikiTableQuestions (WTQ) test set, which outperforms the state-of-the-art model by 2.7%.

Term clustering is important in biomedical knowledge graph construction. Using similarities between terms embedding is helpful for term clustering. State-of-the-art term embeddings leverage pretrained language models to encode terms, and use synonyms and relation knowledge from knowledge graphs to guide contrastive learning. These embeddings provide close embeddings for terms belonging to the same concept. However, from our probing experiments, these embeddings are not sensitive to minor textual differences which leads to failure for biomedical term clustering. To alleviate this problem, we adjust the sampling strategy in pretraining term embeddings by providing dynamic hard positive and negative samples during contrastive learning to learn fine-grained representations which result in better biomedical term clustering. We name our proposed method as CODER++, and it has been applied in clustering biomedical concepts in the newly released Biomedical Knowledge Graph named BIOS.

In this paper, we propose Suppression-Enhancing Mask based attention and Interactive Channel transformatiON (SEMICON) to learn binary hash codes for dealing with large-scale fine-grained image retrieval tasks. In SEMICON, we first develop a suppression-enhancing mask (SEM) based attention to dynamically localize discriminative image regions. More importantly, different from existing attention mechanism simply erasing previous discriminative regions, our SEM is developed to restrain such regions and then discover other complementary regions by considering the relation between activated regions in a stage-by-stage fashion. In each stage, the interactive channel transformation (ICON) module is afterwards designed to exploit correlations across channels of attended activation tensors. Since channels could generally correspond to the parts of fine-grained objects, the part correlation can be also modeled accordingly, which further improves fine-grained retrieval accuracy. Moreover, to be computational economy, ICON is realized by an efficient two-step process. Finally, the hash learning of our SEMICON consists of both global- and local-level branches for better representing fine-grained objects and then generating binary hash codes explicitly corresponding to multiple levels. Experiments on five benchmark fine-grained datasets show our superiority over competing methods.

Current multimodal large language models (MLLMs) often underperform on mathematical problem-solving tasks that require fine-grained visual understanding. The limitation is largely attributable to inadequate perception of geometric primitives during image-level contrastive pre-training (e.g., CLIP). While recent efforts to improve math MLLMs have focused on scaling up mathematical visual instruction datasets and employing stronger LLM backbones, they often overlook persistent errors in visual recognition. In this paper, we systematically evaluate the visual grounding capabilities of state-of-the-art MLLMs and reveal a significant negative correlation between visual grounding accuracy and problem-solving performance, underscoring the critical role of fine-grained visual understanding. Notably, advanced models like GPT-4o exhibit a 70% error rate when identifying geometric entities, highlighting that this remains a key bottleneck in visual mathematical reasoning. To address this, we propose a novel approach, SVE-Math (Selective Vision-Enhanced Mathematical MLLM), featuring a geometric-grounded vision encoder and a feature router that dynamically adjusts the contribution of hierarchical visual feature maps. Our model recognizes accurate visual primitives and generates precise visual prompts tailored to the language model's reasoning needs. In experiments, SVE-Math-Qwen2.5-7B outperforms other 7B models by 15% on MathVerse and is compatible with GPT-4V on MathVista. Despite being trained on smaller datasets, SVE-Math-7B achieves competitive performance on GeoQA, rivaling models trained on significantly larger datasets. Our findings emphasize the importance of incorporating fine-grained visual understanding into MLLMs and provide a promising direction for future research.

The limited and dynamically varied resources on edge devices motivate us to deploy an optimized deep neural network that can adapt its sub-networks to fit in different resource constraints. However, existing works often build sub-networks through searching different network architectures in a hand-crafted sampling space, which not only can result in a subpar performance but also may cause on-device re-configuration overhead. In this paper, we propose a novel training algorithm, Dynamic REal-time Sparse Subnets (DRESS). DRESS samples multiple sub-networks from the same backbone network through row-based unstructured sparsity, and jointly trains these sub-networks in parallel with weighted loss. DRESS also exploits strategies including parameter reusing and row-based fine-grained sampling for efficient storage consumption and efficient on-device adaptation. Extensive experiments on public vision datasets show that DRESS yields significantly higher accuracy than state-of-the-art sub-networks.

The self-attention mechanism (SAM) is widely used in various fields of artificial intelligence and has successfully boosted the performance of different models. However, current explanations of this mechanism are mainly based on intuitions and experiences, while there still lacks direct modeling for how the SAM helps performance. To mitigate this issue, in this paper, based on the dynamical system perspective of the residual neural network, we first show that the intrinsic stiffness phenomenon (SP) in the high-precision solution of ordinary differential equations (ODEs) also widely exists in high-performance neural networks (NN). Thus the ability of NN to measure SP at the feature level is necessary to obtain high performance and is an important factor in the difficulty of training NN. Similar to the adaptive step-size method which is effective in solving stiff ODEs, we show that the SAM is also a stiffness-aware step size adaptor that can enhance the model's representational ability to measure intrinsic SP by refining the estimation of stiffness information and generating adaptive attention values, which provides a new understanding about why and how the SAM can benefit the model performance. This novel perspective can also explain the lottery ticket hypothesis in SAM, design new quantitative metrics of representational ability, and inspire a new theoretic-inspired approach, StepNet. Extensive experiments on several popular benchmarks demonstrate that StepNet can extract fine-grained stiffness information and measure SP accurately, leading to significant improvements in various visual tasks.

We present a human-and-model-in-the-loop process for dynamically generating datasets and training better performing and more robust hate detection models. We provide a new dataset of ~40,000 entries, generated and labelled by trained annotators over four rounds of dynamic data creation. It includes ~15,000 challenging perturbations and each hateful entry has fine-grained labels for the type and target of hate. Hateful entries make up 54% of the dataset, which is substantially higher than comparable datasets. We show that model performance is substantially improved using this approach. Models trained on later rounds of data collection perform better on test sets and are harder for annotators to trick. They also perform better on HateCheck, a suite of functional tests for online hate detection. We provide the code, dataset and annotation guidelines for other researchers to use. Accepted at ACL 2021.

View-predictive generative models provide strong priors for lifting object-centric images and videos into 3D and 4D through rendering and score distillation objectives. A question then remains: what about lifting complete multi-object dynamic scenes? There are two challenges in this direction: First, rendering error gradients are often insufficient to recover fast object motion, and second, view predictive generative models work much better for objects than whole scenes, so, score distillation objectives cannot currently be applied at the scene level directly. We present DreamScene4D, the first approach to generate 3D dynamic scenes of multiple objects from monocular videos via 360-degree novel view synthesis. Our key insight is a "decompose-recompose" approach that factorizes the video scene into the background and object tracks, while also factorizing object motion into 3 components: object-centric deformation, object-to-world-frame transformation, and camera motion. Such decomposition permits rendering error gradients and object view-predictive models to recover object 3D completions and deformations while bounding box tracks guide the large object movements in the scene. We show extensive results on challenging DAVIS, Kubric, and self-captured videos with quantitative comparisons and a user preference study. Besides 4D scene generation, DreamScene4D obtains accurate 2D persistent point track by projecting the inferred 3D trajectories to 2D. We will release our code and hope our work will stimulate more research on fine-grained 4D understanding from videos.

Over the past years, significant progress has been made in creating photorealistic and drivable 3D avatars solely from videos of real humans. However, a core remaining challenge is the fine-grained and user-friendly editing of clothing styles by means of textual descriptions. To this end, we present TEDRA, the first method allowing text-based edits of an avatar, which maintains the avatar's high fidelity, space-time coherency, as well as dynamics, and enables skeletal pose and view control. We begin by training a model to create a controllable and high-fidelity digital replica of the real actor. Next, we personalize a pretrained generative diffusion model by fine-tuning it on various frames of the real character captured from different camera angles, ensuring the digital representation faithfully captures the dynamics and movements of the real person. This two-stage process lays the foundation for our approach to dynamic human avatar editing. Utilizing this personalized diffusion model, we modify the dynamic avatar based on a provided text prompt using our Personalized Normal Aligned Score Distillation Sampling (PNA-SDS) within a model-based guidance framework. Additionally, we propose a time step annealing strategy to ensure high-quality edits. Our results demonstrate a clear improvement over prior work in functionality and visual quality.

Language models (LMs) are widely used by an increasing number of users, underscoring the challenge of maintaining factuality across a broad range of topics. We first present VERIFY (Verification and Evidence RetrIeval for FactualitY evaluation), a pipeline to evaluate LMs' factuality in real-world user interactions. VERIFY considers the verifiability of LM-generated content and categorizes content units as supported, unsupported, or undecidable based on the retrieved evidence from the Web. Importantly, factuality judgment by VERIFY correlates better with human evaluations than existing methods. Using VERIFY, we identify "hallucination prompts" across diverse topics, i.e., those eliciting the highest rates of incorrect and inconclusive LM responses. These prompts form FactBench, a dataset of 1K prompts across 150 fine-grained topics. Our dataset captures emerging factuality challenges in real-world LM interactions and can be regularly updated with new prompts. We benchmark widely-used LMs from GPT, Gemini, and Llama3.1 family on FactBench, yielding the following key findings: (i) Proprietary models exhibit better factuality, with performance declining from Easy to Hard hallucination prompts. (ii) Llama3.1-405B-Instruct shows comparable or lower factual accuracy than Llama3.1-70B-Instruct across all evaluation methods due to its higher subjectivity that leads to more content labeled as undecidable. (iii) Gemini1.5-Pro shows a significantly higher refusal rate, with over-refusal in 25% of cases. Our code and data are publicly available at https://huggingface.co/spaces/launch/factbench.

High-quality human reconstruction and photo-realistic rendering of a dynamic scene is a long-standing problem in computer vision and graphics. Despite considerable efforts invested in developing various capture systems and reconstruction algorithms, recent advancements still struggle with loose or oversized clothing and overly complex poses. In part, this is due to the challenges of acquiring high-quality human datasets. To facilitate the development of these fields, in this paper, we present PKU-DyMVHumans, a versatile human-centric dataset for high-fidelity reconstruction and rendering of dynamic human scenarios from dense multi-view videos. It comprises 8.2 million frames captured by more than 56 synchronized cameras across diverse scenarios. These sequences comprise 32 human subjects across 45 different scenarios, each with a high-detailed appearance and realistic human motion. Inspired by recent advancements in neural radiance field (NeRF)-based scene representations, we carefully set up an off-the-shelf framework that is easy to provide those state-of-the-art NeRF-based implementations and benchmark on PKU-DyMVHumans dataset. It is paving the way for various applications like fine-grained foreground/background decomposition, high-quality human reconstruction and photo-realistic novel view synthesis of a dynamic scene. Extensive studies are performed on the benchmark, demonstrating new observations and challenges that emerge from using such high-fidelity dynamic data.

Masked Image Modeling (MIM) arises as a promising option for Vision Transformers among various self-supervised learning (SSL) methods. The essence of MIM lies in token-wise masked patch predictions, with targets patchified from images; or generated by pre-trained tokenizers or models. We argue targets from the pre-trained models usually exhibit spatial inconsistency, which makes it excessively challenging for the model to follow to learn more discriminative representations. To mitigate the issue, we introduce a novel self-supervision signal based on Dynamic Token Morphing (DTM), which dynamically aggregates contextually related tokens. DTM can be generally applied to various SSL frameworks, yet we propose a simple MIM that employs DTM to effectively improve the performance barely introducing extra training costs. Our experiments on ImageNet-1K and ADE20K evidently demonstrate the superiority of our methods. Furthermore, the comparative evaluation of iNaturalist and Fine-grained Visual Classification datasets further validates the transferability of our method on various downstream tasks. Our code will be released publicly.

Data is a crucial element in large language model (LLM) alignment. Recent studies have explored using LLMs for efficient data collection. However, LLM-generated data often suffers from quality issues, with underrepresented or absent aspects and low-quality datapoints. To address these problems, we propose Data Advisor, an enhanced LLM-based method for generating data that takes into account the characteristics of the desired dataset. Starting from a set of pre-defined principles in hand, Data Advisor monitors the status of the generated data, identifies weaknesses in the current dataset, and advises the next iteration of data generation accordingly. Data Advisor can be easily integrated into existing data generation methods to enhance data quality and coverage. Experiments on safety alignment of three representative LLMs (i.e., Mistral, Llama2, and Falcon) demonstrate the effectiveness of Data Advisor in enhancing model safety against various fine-grained safety issues without sacrificing model utility.

Progress in Embodied AI has made it possible for end-to-end-trained agents to navigate in photo-realistic environments with high-level reasoning and zero-shot or language-conditioned behavior, but benchmarks are still dominated by simulation. In this work, we focus on the fine-grained behavior of fast-moving real robots and present a large-scale experimental study involving navigation episodes in a real environment with a physical robot, where we analyze the type of reasoning emerging from end-to-end training. In particular, we study the presence of realistic dynamics which the agent learned for open-loop forecasting, and their interplay with sensing. We analyze the way the agent uses latent memory to hold elements of the scene structure and information gathered during exploration. We probe the planning capabilities of the agent, and find in its memory evidence for somewhat precise plans over a limited horizon. Furthermore, we show in a post-hoc analysis that the value function learned by the agent relates to long-term planning. Put together, our experiments paint a new picture on how using tools from computer vision and sequential decision making have led to new capabilities in robotics and control. An interactive tool is available at europe.naverlabs.com/research/publications/reasoning-in-visual-navigation-of-end-to-end-trained-agents.

Evaluation of large language models (LLMs) has raised great concerns in the community due to the issue of data contamination. Existing work designed evaluation protocols using well-defined algorithms for specific tasks, which cannot be easily extended to diverse scenarios. Moreover, current evaluation benchmarks can only provide the overall benchmark results and cannot support a fine-grained and multifaceted analysis of LLMs' abilities. In this paper, we propose meta probing agents (MPA), a general dynamic evaluation protocol inspired by psychometrics to evaluate LLMs. MPA is the key component of DyVal 2, which naturally extends the previous DyVal~zhu2023dyval. MPA designs the probing and judging agents to automatically transform an original evaluation problem into a new one following psychometric theory on three basic cognitive abilities: language understanding, problem solving, and domain knowledge. These basic abilities are also dynamically configurable, allowing multifaceted analysis. We conducted extensive evaluations using MPA and found that most LLMs achieve poorer performance, indicating room for improvement. Our multifaceted analysis demonstrated the strong correlation between the basic abilities and an implicit Matthew effect on model size, i.e., larger models possess stronger correlations of the abilities. MPA can also be used as a data augmentation approach to enhance LLMs. Code is available at: https://github.com/microsoft/promptbench.

While neural language models often perform surprisingly well on natural language understanding (NLU) tasks, their strengths and limitations remain poorly understood. Controlled synthetic tasks are thus an increasingly important resource for diagnosing model behavior. In this work we focus on story understanding, a core competency for NLU systems. However, the main synthetic resource for story understanding, the bAbI benchmark, lacks such a systematic mechanism for controllable task generation. We develop Dyna-bAbI, a dynamic framework providing fine-grained control over task generation in bAbI. We demonstrate our ideas by constructing three new tasks requiring compositional generalization, an important evaluation setting absent from the original benchmark. We tested both special-purpose models developed for bAbI as well as state-of-the-art pre-trained methods, and found that while both approaches solve the original tasks (>99% accuracy), neither approach succeeded in the compositional generalization setting, indicating the limitations of the original training data. We explored ways to augment the original data, and found that though diversifying training data was far more useful than simply increasing dataset size, it was still insufficient for driving robust compositional generalization (with <70% accuracy for complex compositions). Our results underscore the importance of highly controllable task generators for creating robust NLU systems through a virtuous cycle of model and data development.

Diffusion models enable high-quality and diverse visual content synthesis. However, they struggle to generate rare or unseen concepts. To address this challenge, we explore the usage of Retrieval-Augmented Generation (RAG) with image generation models. We propose ImageRAG, a method that dynamically retrieves relevant images based on a given text prompt, and uses them as context to guide the generation process. Prior approaches that used retrieved images to improve generation, trained models specifically for retrieval-based generation. In contrast, ImageRAG leverages the capabilities of existing image conditioning models, and does not require RAG-specific training. Our approach is highly adaptable and can be applied across different model types, showing significant improvement in generating rare and fine-grained concepts using different base models. Our project page is available at: https://rotem-shalev.github.io/ImageRAG

Large-scale text-to-image generative models have been a ground-breaking development in generative AI, with diffusion models showing their astounding ability to synthesize convincing images following an input text prompt. The goal of image editing research is to give users control over the generated images by modifying the text prompt. Current image editing techniques are susceptible to unintended modifications of regions outside the targeted area, such as on the background or on distractor objects which have some semantic or visual relationship with the targeted object. According to our experimental findings, inaccurate cross-attention maps are at the root of this problem. Based on this observation, we propose Dynamic Prompt Learning (DPL) to force cross-attention maps to focus on correct noun words in the text prompt. By updating the dynamic tokens for nouns in the textual input with the proposed leakage repairment losses, we achieve fine-grained image editing over particular objects while preventing undesired changes to other image regions. Our method DPL, based on the publicly available Stable Diffusion, is extensively evaluated on a wide range of images, and consistently obtains superior results both quantitatively (CLIP score, Structure-Dist) and qualitatively (on user-evaluation). We show improved prompt editing results for Word-Swap, Prompt Refinement, and Attention Re-weighting, especially for complex multi-object scenes.

Dynamic Sparse Training (DST) methods achieve state-of-the-art results in sparse neural network training, matching the generalization of dense models while enabling sparse training and inference. Although the resulting models are highly sparse and theoretically less computationally expensive, achieving speedups with unstructured sparsity on real-world hardware is challenging. In this work, we propose a sparse-to-sparse DST method, Structured RigL (SRigL), to learn a variant of fine-grained structured N:M sparsity by imposing a constant fan-in constraint. Using our empirical analysis of existing DST methods at high sparsity, we additionally employ a neuron ablation method which enables SRigL to achieve state-of-the-art sparse-to-sparse structured DST performance on a variety of Neural Network (NN) architectures. We demonstrate reduced real-world timings on CPU for online inference -- 3.6x/2x faster at 90% sparsity than equivalent dense/unstructured sparse layers, respectively. Our source code is available at https://github.com/calgaryml/condensed-sparsity

Pretraining large language models (LLMs) on vast and heterogeneous datasets is crucial for achieving state-of-the-art performance across diverse downstream tasks. However, current training paradigms treat all samples equally, overlooking the importance or relevance of individual samples throughout the training process. Existing reweighting strategies, which primarily focus on group-level data importance, fail to leverage fine-grained instance-level information and do not adapt dynamically to individual sample importance as training progresses. In this paper, we introduce novel algorithms for dynamic, instance-level data reweighting aimed at improving both the efficiency and effectiveness of LLM pretraining. Our methods adjust the weight of each training sample based on its loss value in an online fashion, allowing the model to dynamically focus on more informative or important samples at the current training stage. In particular, our framework allows us to systematically devise reweighting strategies deprioritizing redundant or uninformative data, which we find tend to work best. Furthermore, we develop a new theoretical framework for analyzing the impact of loss-based reweighting on the convergence of gradient-based optimization, providing the first formal characterization of how these strategies affect convergence bounds. We empirically validate our approach across a spectrum of tasks, from pretraining 7B and 1.4B parameter LLMs to smaller-scale language models and linear regression problems, demonstrating that our loss-based reweighting approach can lead to faster convergence and significantly improved performance.

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

Image restoration tasks have achieved tremendous performance improvements with the rapid advancement of deep neural networks. However, most prevalent deep learning models perform inference statically, ignoring that different images have varying restoration difficulties and lightly degraded images can be well restored by slimmer subnetworks. To this end, we propose a new solution pipeline dubbed ClassPruning that utilizes networks with different capabilities to process images with varying restoration difficulties. In particular, we use a lightweight classifier to identify the image restoration difficulty, and then the sparse subnetworks with different capabilities can be sampled based on predicted difficulty by performing dynamic N:M fine-grained structured pruning on base restoration networks. We further propose a novel training strategy along with two additional loss terms to stabilize training and improve performance. Experiments demonstrate that ClassPruning can help existing methods save approximately 40% FLOPs while maintaining performance.

The emergence of Large Language Models (LLMs) like ChatGPT has inspired the development of LLM-based agents capable of addressing complex, real-world tasks. However, these agents often struggle during task execution due to methodological constraints, such as error propagation and limited adaptability. To address this issue, we propose a multi-agent framework based on dynamic Task Decomposition and Agent Generation (TDAG). This framework dynamically decomposes complex tasks into smaller subtasks and assigns each to a specifically generated subagent, thereby enhancing adaptability in diverse and unpredictable real-world tasks. Simultaneously, existing benchmarks often lack the granularity needed to evaluate incremental progress in complex, multi-step tasks. In response, we introduce ItineraryBench in the context of travel planning, featuring interconnected, progressively complex tasks with a fine-grained evaluation system. ItineraryBench is designed to assess agents' abilities in memory, planning, and tool usage across tasks of varying complexity. Our experimental results reveal that TDAG significantly outperforms established baselines, showcasing its superior adaptability and context awareness in complex task scenarios.

Video generative models are receiving particular attention given their ability to generate realistic and imaginative frames. Besides, these models are also observed to exhibit strong 3D consistency, significantly enhancing their potential to act as world simulators. In this work, we present Vidu4D, a novel reconstruction model that excels in accurately reconstructing 4D (i.e., sequential 3D) representations from single generated videos, addressing challenges associated with non-rigidity and frame distortion. This capability is pivotal for creating high-fidelity virtual contents that maintain both spatial and temporal coherence. At the core of Vidu4D is our proposed Dynamic Gaussian Surfels (DGS) technique. DGS optimizes time-varying warping functions to transform Gaussian surfels (surface elements) from a static state to a dynamically warped state. This transformation enables a precise depiction of motion and deformation over time. To preserve the structural integrity of surface-aligned Gaussian surfels, we design the warped-state geometric regularization based on continuous warping fields for estimating normals. Additionally, we learn refinements on rotation and scaling parameters of Gaussian surfels, which greatly alleviates texture flickering during the warping process and enhances the capture of fine-grained appearance details. Vidu4D also contains a novel initialization state that provides a proper start for the warping fields in DGS. Equipping Vidu4D with an existing video generative model, the overall framework demonstrates high-fidelity text-to-4D generation in both appearance and geometry.

Temporal reasoning is a critical challenge in video-language understanding, as it requires models to align semantic concepts consistently across time. While existing large vision-language models (LVLMs) and large language models (LLMs) excel at static tasks, they struggle to capture dynamic interactions and temporal dependencies in video sequences. In this work, we propose Temporal Semantic Alignment via Dynamic Prompting (TSADP), a novel framework that enhances temporal reasoning capabilities through dynamic task-specific prompts and temporal contrastive learning. TSADP leverages a Dynamic Prompt Generator (DPG) to encode fine-grained temporal relationships and a Temporal Contrastive Loss (TCL) to align visual and textual embeddings across time. We evaluate our method on the VidSitu dataset, augmented with enriched temporal annotations, and demonstrate significant improvements over state-of-the-art models in tasks such as Intra-Video Entity Association, Temporal Relationship Understanding, and Chronology Prediction. Human evaluations further confirm TSADP's ability to generate coherent and semantically accurate descriptions. Our analysis highlights the robustness, efficiency, and practical utility of TSADP, making it a step forward in the field of video-language understanding.

Long-context modeling is crucial for next-generation language models, yet the high computational cost of standard attention mechanisms poses significant computational challenges. Sparse attention offers a promising direction for improving efficiency while maintaining model capabilities. We present NSA, a Natively trainable Sparse Attention mechanism that integrates algorithmic innovations with hardware-aligned optimizations to achieve efficient long-context modeling. NSA employs a dynamic hierarchical sparse strategy, combining coarse-grained token compression with fine-grained token selection to preserve both global context awareness and local precision. Our approach advances sparse attention design with two key innovations: (1) We achieve substantial speedups through arithmetic intensity-balanced algorithm design, with implementation optimizations for modern hardware. (2) We enable end-to-end training, reducing pretraining computation without sacrificing model performance. As shown in Figure 1, experiments show the model pretrained with NSA maintains or exceeds Full Attention models across general benchmarks, long-context tasks, and instruction-based reasoning. Meanwhile, NSA achieves substantial speedups over Full Attention on 64k-length sequences across decoding, forward propagation, and backward propagation, validating its efficiency throughout the model lifecycle.

Knowledge conflict arises from discrepancies between information in the context of a large language model (LLM) and the knowledge stored in its parameters. This can hurt performance when using standard decoding techniques, which tend to ignore the context. Existing test-time contrastive methods seek to address this by comparing the LLM's output distribution with and without the context and adjust the model according to the contrast between them. However, we find that these methods frequently misjudge the degree of conflict and struggle to handle instances that vary in their amount of conflict, with static methods over-adjusting when conflict is absent. We propose a fine-grained, instance-level approach called AdaCAD, which dynamically infers the weight of adjustment based on the degree of conflict, as measured by the Jensen-Shannon divergence between distributions representing contextual and parametric knowledge. Our experiments across four models on six diverse question-answering (QA) datasets and three summarization tasks demonstrate that our training-free adaptive method consistently outperforms other decoding methods on QA, with average accuracy gains of 14.21% (absolute) over a static contrastive baseline, and improves the factuality of summaries by 5.59 (AlignScore). Furthermore, our analysis shows that while decoding with contrastive baselines hurts performance when conflict is absent, AdaCAD mitigates these losses, making it more applicable to real-world datasets in which some examples have conflict and others do not.

Transformer-based large language models (LLMs) demonstrate impressive performance in long context generation. Extending the context length has disproportionately shifted the memory footprint of LLMs during inference to the key-value cache (KV cache). In this paper, we propose HEADINFER, which offloads the KV cache to CPU RAM while avoiding the need to fully store the KV cache for any transformer layer on the GPU. HEADINFER employs a fine-grained, head-wise offloading strategy, maintaining only selective attention heads KV cache on the GPU while computing attention output dynamically. Through roofline analysis, we demonstrate that HEADINFER maintains computational efficiency while significantly reducing memory footprint. We evaluate HEADINFER on the Llama-3-8B model with a 1-million-token sequence, reducing the GPU memory footprint of the KV cache from 128 GB to 1 GB and the total GPU memory usage from 207 GB to 17 GB, achieving a 92% reduction compared to BF16 baseline inference. Notably, HEADINFER enables 4-million-token inference with an 8B model on a single consumer GPU with 24GB memory (e.g., NVIDIA RTX 4090) without approximation methods.

Imitation Learning (IL) is a sample efficient paradigm for robot learning using expert demonstrations. However, policies learned through IL suffer from state distribution shift at test time, due to compounding errors in action prediction which lead to previously unseen states. Choosing an action representation for the policy that minimizes this distribution shift is critical in imitation learning. Prior work propose using temporal action abstractions to reduce compounding errors, but they often sacrifice policy dexterity or require domain-specific knowledge. To address these trade-offs, we introduce HYDRA, a method that leverages a hybrid action space with two levels of action abstractions: sparse high-level waypoints and dense low-level actions. HYDRA dynamically switches between action abstractions at test time to enable both coarse and fine-grained control of a robot. In addition, HYDRA employs action relabeling to increase the consistency of actions in the dataset, further reducing distribution shift. HYDRA outperforms prior imitation learning methods by 30-40% on seven challenging simulation and real world environments, involving long-horizon tasks in the real world like making coffee and toasting bread. Videos are found on our website: https://tinyurl.com/3mc6793z

In recent times, Vision-Language Models (VLMs) have been trained under two predominant paradigms. Generative training has enabled Multimodal Large Language Models (MLLMs) to tackle various complex tasks, yet issues such as hallucinations and weak object discrimination persist. Discriminative training, exemplified by models like CLIP, excels in zero-shot image-text classification and retrieval, yet struggles with complex scenarios requiring fine-grained semantic differentiation. This paper addresses these challenges by proposing a unified approach that integrates the strengths of both paradigms. Considering interleaved image-text sequences as the general format of input samples, we introduce a structure-induced training strategy that imposes semantic relationships between input samples and the MLLM's hidden state. This approach enhances the MLLM's ability to capture global semantics and distinguish fine-grained semantics. By leveraging dynamic sequence alignment within the Dynamic Time Warping framework and integrating a novel kernel for fine-grained semantic differentiation, our method effectively balances generative and discriminative tasks. Extensive experiments demonstrate the effectiveness of our approach, achieving state-of-the-art results in multiple generative tasks, especially those requiring cognitive and discrimination abilities. Additionally, our method surpasses discriminative benchmarks in interleaved and fine-grained retrieval tasks. By employing a retrieval-augmented generation strategy, our approach further enhances performance in some generative tasks within one model, offering a promising direction for future research in vision-language modeling.

Customized image generation, which seeks to synthesize images with consistent characters, holds significant relevance for applications such as storytelling, portrait generation, and character design. However, previous approaches have encountered challenges in preserving characters with high-fidelity consistency due to inadequate feature extraction and concept confusion of reference characters. Therefore, we propose Character-Adapter, a plug-and-play framework designed to generate images that preserve the details of reference characters, ensuring high-fidelity consistency. Character-Adapter employs prompt-guided segmentation to ensure fine-grained regional features of reference characters and dynamic region-level adapters to mitigate concept confusion. Extensive experiments are conducted to validate the effectiveness of Character-Adapter. Both quantitative and qualitative results demonstrate that Character-Adapter achieves the state-of-the-art performance of consistent character generation, with an improvement of 24.8% compared with other methods. Our code will be released at https://github.com/Character-Adapter/Character-Adapte

We propose a method to learn a high-quality implicit 3D head avatar from a monocular RGB video captured in the wild. The learnt avatar is driven by a parametric face model to achieve user-controlled facial expressions and head poses. Our hybrid pipeline combines the geometry prior and dynamic tracking of a 3DMM with a neural radiance field to achieve fine-grained control and photorealism. To reduce over-smoothing and improve out-of-model expressions synthesis, we propose to predict local features anchored on the 3DMM geometry. These learnt features are driven by 3DMM deformation and interpolated in 3D space to yield the volumetric radiance at a designated query point. We further show that using a Convolutional Neural Network in the UV space is critical in incorporating spatial context and producing representative local features. Extensive experiments show that we are able to reconstruct high-quality avatars, with more accurate expression-dependent details, good generalization to out-of-training expressions, and quantitatively superior renderings compared to other state-of-the-art approaches.

Obtaining personalized 3D animatable avatars from a monocular camera has several real world applications in gaming, virtual try-on, animation, and VR/XR, etc. However, it is very challenging to model dynamic and fine-grained clothing deformations from such sparse data. Existing methods for modeling 3D humans from depth data have limitations in terms of computational efficiency, mesh coherency, and flexibility in resolution and topology. For instance, reconstructing shapes using implicit functions and extracting explicit meshes per frame is computationally expensive and cannot ensure coherent meshes across frames. Moreover, predicting per-vertex deformations on a pre-designed human template with a discrete surface lacks flexibility in resolution and topology. To overcome these limitations, we propose a novel method `\keyfeature: Neural Surface Fields' for modeling 3D clothed humans from monocular depth. NSF defines a neural field solely on the base surface which models a continuous and flexible displacement field. NSF can be adapted to the base surface with different resolution and topology without retraining at inference time. Compared to existing approaches, our method eliminates the expensive per-frame surface extraction while maintaining mesh coherency, and is capable of reconstructing meshes with arbitrary resolution without retraining. To foster research in this direction, we release our code in project page at: https://yuxuan-xue.com/nsf.

4D human sensing and modeling are fundamental tasks in vision and graphics with numerous applications. With the advances of new sensors and algorithms, there is an increasing demand for more versatile datasets. In this work, we contribute HuMMan, a large-scale multi-modal 4D human dataset with 1000 human subjects, 400k sequences and 60M frames. HuMMan has several appealing properties: 1) multi-modal data and annotations including color images, point clouds, keypoints, SMPL parameters, and textured meshes; 2) popular mobile device is included in the sensor suite; 3) a set of 500 actions, designed to cover fundamental movements; 4) multiple tasks such as action recognition, pose estimation, parametric human recovery, and textured mesh reconstruction are supported and evaluated. Extensive experiments on HuMMan voice the need for further study on challenges such as fine-grained action recognition, dynamic human mesh reconstruction, point cloud-based parametric human recovery, and cross-device domain gaps.

In this study, we introduce the Multi-Head Explainer (MHEX), a versatile and modular framework that enhances both the explainability and accuracy of Convolutional Neural Networks (CNNs) and Transformer-based models. MHEX consists of three core components: an Attention Gate that dynamically highlights task-relevant features, Deep Supervision that guides early layers to capture fine-grained details pertinent to the target class, and an Equivalent Matrix that unifies refined local and global representations to generate comprehensive saliency maps. Our approach demonstrates superior compatibility, enabling effortless integration into existing residual networks like ResNet and Transformer architectures such as BERT with minimal modifications. Extensive experiments on benchmark datasets in medical imaging and text classification show that MHEX not only improves classification accuracy but also produces highly interpretable and detailed saliency scores.

Vision Transformer and its variants have demonstrated great potential in various computer vision tasks. But conventional vision transformers often focus on global dependency at a coarse level, which suffer from a learning challenge on global relationships and fine-grained representation at a token level. In this paper, we introduce Multi-scale Attention Fusion into transformer (MAFormer), which explores local aggregation and global feature extraction in a dual-stream framework for visual recognition. We develop a simple but effective module to explore the full potential of transformers for visual representation by learning fine-grained and coarse-grained features at a token level and dynamically fusing them. Our Multi-scale Attention Fusion (MAF) block consists of: i) a local window attention branch that learns short-range interactions within windows, aggregating fine-grained local features; ii) global feature extraction through a novel Global Learning with Down-sampling (GLD) operation to efficiently capture long-range context information within the whole image; iii) a fusion module that self-explores the integration of both features via attention. Our MAFormer achieves state-of-the-art performance on common vision tasks. In particular, MAFormer-L achieves 85.9% Top-1 accuracy on ImageNet, surpassing CSWin-B and LV-ViT-L by 1.7% and 0.6% respectively. On MSCOCO, MAFormer outperforms the prior art CSWin by 1.7% mAPs on object detection and 1.4% on instance segmentation with similar-sized parameters, demonstrating the potential to be a general backbone network.

The integration of Large Language Models (LLMs) with visual encoders has recently shown promising performance in visual understanding tasks, leveraging their inherent capability to comprehend and generate human-like text for visual reasoning. Given the diverse nature of visual data, MultiModal Large Language Models (MM-LLMs) exhibit variations in model designing and training for understanding images, short videos, and long videos. Our paper focuses on the substantial differences and unique challenges posed by long video understanding compared to static image and short video understanding. Unlike static images, short videos encompass sequential frames with both spatial and within-event temporal information, while long videos consist of multiple events with between-event and long-term temporal information. In this survey, we aim to trace and summarize the advancements of MM-LLMs from image understanding to long video understanding. We review the differences among various visual understanding tasks and highlight the challenges in long video understanding, including more fine-grained spatiotemporal details, dynamic events, and long-term dependencies. We then provide a detailed summary of the advancements in MM-LLMs in terms of model design and training methodologies for understanding long videos. Finally, we compare the performance of existing MM-LLMs on video understanding benchmarks of various lengths and discuss potential future directions for MM-LLMs in long video understanding.

Recent years have witnessed considerable achievements in facial avatar reconstruction with neural volume rendering. Despite notable advancements, the reconstruction of complex and dynamic head movements from monocular videos still suffers from capturing and restoring fine-grained details. In this work, we propose a novel approach, named Tri^2-plane, for monocular photo-realistic volumetric head avatar reconstructions. Distinct from the existing works that rely on a single tri-plane deformation field for dynamic facial modeling, the proposed Tri^2-plane leverages the principle of feature pyramids and three top-to-down lateral connections tri-planes for details improvement. It samples and renders facial details at multiple scales, transitioning from the entire face to specific local regions and then to even more refined sub-regions. Moreover, we incorporate a camera-based geometry-aware sliding window method as an augmentation in training, which improves the robustness beyond the canonical space, with a particular improvement in cross-identity generation capabilities. Experimental outcomes indicate that the Tri^2-plane not only surpasses existing methodologies but also achieves superior performance across quantitative and qualitative assessments. The project website is: https://songluchuan.github.io/Tri2Plane.github.io/.

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.

LiDAR-based 3D point cloud recognition has benefited various applications. Without specially considering the LiDAR point distribution, most current methods suffer from information disconnection and limited receptive field, especially for the sparse distant points. In this work, we study the varying-sparsity distribution of LiDAR points and present SphereFormer to directly aggregate information from dense close points to the sparse distant ones. We design radial window self-attention that partitions the space into multiple non-overlapping narrow and long windows. It overcomes the disconnection issue and enlarges the receptive field smoothly and dramatically, which significantly boosts the performance of sparse distant points. Moreover, to fit the narrow and long windows, we propose exponential splitting to yield fine-grained position encoding and dynamic feature selection to increase model representation ability. Notably, our method ranks 1st on both nuScenes and SemanticKITTI semantic segmentation benchmarks with 81.9% and 74.8% mIoU, respectively. Also, we achieve the 3rd place on nuScenes object detection benchmark with 72.8% NDS and 68.5% mAP. Code is available at https://github.com/dvlab-research/SphereFormer.git.

Retrieval-Augmented Generation (RAG), while serving as a viable complement to large language models (LLMs), often overlooks the crucial aspect of text chunking within its pipeline, which impacts the quality of knowledge-intensive tasks. This paper introduces the concept of Meta-Chunking, which refers to a granularity between sentences and paragraphs, consisting of a collection of sentences within a paragraph that have deep linguistic logical connections. To implement Meta-Chunking, we designed two strategies based on LLMs: Margin Sampling Chunking and Perplexity Chunking. The former employs LLMs to perform binary classification on whether consecutive sentences need to be segmented, making decisions based on the probability difference obtained from margin sampling. The latter precisely identifies text chunk boundaries by analyzing the characteristics of perplexity distribution. Additionally, considering the inherent complexity of different texts, we propose a strategy that combines Meta-Chunking with dynamic merging to achieve a balance between fine-grained and coarse-grained text chunking. Experiments conducted on eleven datasets demonstrate that Meta-Chunking can more efficiently improve the performance of single-hop and multi-hop question answering based on RAG. For instance, on the 2WikiMultihopQA dataset, it outperforms similarity chunking by 1.32 while only consuming 45.8% of the time. Our code is available at https://github.com/IAAR-Shanghai/Meta-Chunking.

With the exponential growth of research facilitated by modern technology and improved accessibility, scientific discoveries have become increasingly fragmented within and across fields. This makes it challenging to assess the significance, novelty, incremental findings, and equivalent ideas between related works, particularly those from different research communities. Large language models (LLMs) have recently demonstrated strong quantitative and qualitative reasoning abilities, and multi-agent LLM debates have shown promise in handling complex reasoning tasks by exploring diverse perspectives and reasoning paths. Inspired by this, we introduce Tree-of-Debate (ToD), a framework which converts scientific papers into LLM personas that debate their respective novelties. To emphasize structured, critical reasoning rather than focusing solely on outcomes, ToD dynamically constructs a debate tree, enabling fine-grained analysis of independent novelty arguments within scholarly articles. Through experiments on scientific literature across various domains, evaluated by expert researchers, we demonstrate that ToD generates informative arguments, effectively contrasts papers, and supports researchers in their literature review.

Multi-modal entity alignment (MMEA) aims to discover identical entities across different knowledge graphs (KGs) whose entities are associated with relevant images. However, current MMEA algorithms rely on KG-level modality fusion strategies for multi-modal entity representation, which ignores the variations of modality preferences of different entities, thus compromising robustness against noise in modalities such as blurry images and relations. This paper introduces MEAformer, a multi-modal entity alignment transformer approach for meta modality hybrid, which dynamically predicts the mutual correlation coefficients among modalities for more fine-grained entity-level modality fusion and alignment. Experimental results demonstrate that our model not only achieves SOTA performance in multiple training scenarios, including supervised, unsupervised, iterative, and low-resource settings, but also has a limited number of parameters, efficient runtime, and interpretability. Our code is available at https://github.com/zjukg/MEAformer.

Diffusion models have recently been increasingly applied to temporal data such as video, fluid mechanics simulations, or climate data. These methods generally treat subsequent frames equally regarding the amount of noise in the diffusion process. This paper explores Rolling Diffusion: a new approach that uses a sliding window denoising process. It ensures that the diffusion process progressively corrupts through time by assigning more noise to frames that appear later in a sequence, reflecting greater uncertainty about the future as the generation process unfolds. Empirically, we show that when the temporal dynamics are complex, Rolling Diffusion is superior to standard diffusion. In particular, this result is demonstrated in a video prediction task using the Kinetics-600 video dataset and in a chaotic fluid dynamics forecasting experiment.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it. In this work, we introduce a novel generative modeling framework grounded in phase space dynamics, where a phase space is defined as {an augmented space encompassing both position and velocity.} Leveraging insights from Stochastic Optimal Control, we construct a path measure in the phase space that enables efficient sampling. {In contrast to DMs, our framework demonstrates the capability to generate realistic data points at an early stage of dynamics propagation.} This early prediction sets the stage for efficient data generation by leveraging additional velocity information along the trajectory. On standard image generation benchmarks, our model yields favorable performance over baselines in the regime of small Number of Function Evaluations (NFEs). Furthermore, our approach rivals the performance of diffusion models equipped with efficient sampling techniques, underscoring its potential as a new tool generative modeling.

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of molecular trajectories as a paradigm for learning flexible multi-task surrogate models of MD from data. By conditioning on appropriately chosen frames of the trajectory, we show such generative models can be adapted to diverse tasks such as forward simulation, transition path sampling, and trajectory upsampling. By alternatively conditioning on part of the molecular system and inpainting the rest, we also demonstrate the first steps towards dynamics-conditioned molecular design. We validate the full set of these capabilities on tetrapeptide simulations and show that our model can produce reasonable ensembles of protein monomers. Altogether, our work illustrates how generative modeling can unlock value from MD data towards diverse downstream tasks that are not straightforward to address with existing methods or even MD itself. Code is available at https://github.com/bjing2016/mdgen.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

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

Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour into different regimes, or modes, each with simpler dynamics, and then learning the switching behaviour from one mode to another. Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on independent objects, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general interacting object setting for switching dynamical systems, where the per-object dynamics also depends on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. We introduce two new datasets for this setting, a synthesized ODE-driven particles dataset and a real-world Salsa Couple Dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods.

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.

Transfer learning has become crucial in computer vision tasks due to the vast availability of pre-trained deep learning models. However, selecting the optimal pre-trained model from a diverse pool for a specific downstream task remains a challenge. Existing methods for measuring the transferability of pre-trained models rely on statistical correlations between encoded static features and task labels, but they overlook the impact of underlying representation dynamics during fine-tuning, leading to unreliable results, especially for self-supervised models. In this paper, we present an insightful physics-inspired approach named PED to address these challenges. We reframe the challenge of model selection through the lens of potential energy and directly model the interaction forces that influence fine-tuning dynamics. By capturing the motion of dynamic representations to decline the potential energy within a force-driven physical model, we can acquire an enhanced and more stable observation for estimating transferability. The experimental results on 10 downstream tasks and 12 self-supervised models demonstrate that our approach can seamlessly integrate into existing ranking techniques and enhance their performances, revealing its effectiveness for the model selection task and its potential for understanding the mechanism in transfer learning. Code will be available at https://github.com/lixiaotong97/PED.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While machine learning (ML) has produced accurate and efficient CG simulations of proteins, fast and reliable backmapping remains a challenge. Rule-based methods produce poor all-atom geometries, needing computationally costly refinement through additional simulations. Recently proposed ML approaches outperform traditional baselines but are not transferable between proteins and sometimes generate unphysical atom placements with steric clashes and implausible torsion angles. This work addresses both issues to build a fast, transferable, and reliable generative backmapping tool for CG protein representations. We achieve generalization and reliability through a combined set of innovations: representation based on internal coordinates; an equivariant encoder/prior; a custom loss function that helps ensure local structure, global structure, and physical constraints; and expert curation of high-quality out-of-equilibrium protein data for training. Our results pave the way for out-of-the-box backmapping of coarse-grained simulations for arbitrary proteins.

Recently, significant progress has been made in text-based motion generation, enabling the generation of diverse and high-quality human motions that conform to textual descriptions. However, it remains challenging to generate fine-grained or stylized motions due to the lack of datasets annotated with detailed textual descriptions. By adopting a divide-and-conquer strategy, we propose a new framework named Fine-Grained Human Motion Diffusion Model (FG-MDM) for human motion generation. Specifically, we first parse previous vague textual annotation into fine-grained description of different body parts by leveraging a large language model (GPT-3.5). We then use these fine-grained descriptions to guide a transformer-based diffusion model. FG-MDM can generate fine-grained and stylized motions even outside of the distribution of the training data. Our experimental results demonstrate the superiority of FG-MDM over previous methods, especially the strong generalization capability. We will release our fine-grained textual annotations for HumanML3D and KIT.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

As artificial intelligence models have exploded in scale and capability, understanding of their internal mechanisms remains a critical challenge. Inspired by the success of dynamical systems approaches in neuroscience, here we propose a novel framework for studying computations in deep learning systems. We focus on the residual stream (RS) in transformer models, conceptualizing it as a dynamical system evolving across layers. We find that activations of individual RS units exhibit strong continuity across layers, despite the RS being a non-privileged basis. Activations in the RS accelerate and grow denser over layers, while individual units trace unstable periodic orbits. In reduced-dimensional spaces, the RS follows a curved trajectory with attractor-like dynamics in the lower layers. These insights bridge dynamical systems theory and mechanistic interpretability, establishing a foundation for a "neuroscience of AI" that combines theoretical rigor with large-scale data analysis to advance our understanding of modern neural networks.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

In this paper, we extend mean-field Langevin dynamics to minimax optimization over probability distributions for the first time with symmetric and provably convergent updates. We propose mean-field Langevin averaged gradient (MFL-AG), a single-loop algorithm that implements gradient descent ascent in the distribution spaces with a novel weighted averaging, and establish average-iterate convergence to the mixed Nash equilibrium. We also study both time and particle discretization regimes and prove a new uniform-in-time propagation of chaos result which accounts for the dependency of the particle interactions on all previous distributions. Furthermore, we propose mean-field Langevin anchored best response (MFL-ABR), a symmetric double-loop algorithm based on best response dynamics with linear last-iterate convergence. Finally, we study applications to zero-sum Markov games and conduct simulations demonstrating long-term optimality.

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Dynamical generative models that produce samples through an iterative process, such as Flow Matching and denoising diffusion models, have seen widespread use, but there have not been many theoretically-sound methods for improving these models with reward fine-tuning. In this work, we cast reward fine-tuning as stochastic optimal control (SOC). Critically, we prove that a very specific memoryless noise schedule must be enforced during fine-tuning, in order to account for the dependency between the noise variable and the generated samples. We also propose a new algorithm named Adjoint Matching which outperforms existing SOC algorithms, by casting SOC problems as a regression problem. We find that our approach significantly improves over existing methods for reward fine-tuning, achieving better consistency, realism, and generalization to unseen human preference reward models, while retaining sample diversity.

We explore the integration of Kolmogorov Networks (KANs) into molecular dynamics (MD) simulations to improve interatomic potentials. We propose that widely used potentials, such as the Lennard-Jones (LJ) potential, the embedded atom model (EAM), and artificial neural network (ANN) potentials, can be interpreted within the KAN framework. Specifically, we demonstrate that the descriptors for ANN potentials, typically constructed using polynomials, can be redefined using KAN's non-linear functions. By employing linear or cubic spline interpolations for these KAN functions, we show that the computational cost of evaluating ANN potentials and their derivatives is reduced.

We introduce a new class of time-continuous recurrent neural network models. Instead of declaring a learning system's dynamics by implicit nonlinearities, we construct networks of linear first-order dynamical systems modulated via nonlinear interlinked gates. The resulting models represent dynamical systems with varying (i.e., liquid) time-constants coupled to their hidden state, with outputs being computed by numerical differential equation solvers. These neural networks exhibit stable and bounded behavior, yield superior expressivity within the family of neural ordinary differential equations, and give rise to improved performance on time-series prediction tasks. To demonstrate these properties, we first take a theoretical approach to find bounds over their dynamics and compute their expressive power by the trajectory length measure in latent trajectory space. We then conduct a series of time-series prediction experiments to manifest the approximation capability of Liquid Time-Constant Networks (LTCs) compared to classical and modern RNNs. Code and data are available at https://github.com/raminmh/liquid_time_constant_networks

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting, where generating stable and accurate rollout forecasts remains challenging, Our method, DYffusion, leverages the temporal dynamics in the data, directly coupling it with the diffusion steps in the model. We train a stochastic, time-conditioned interpolator and a forecaster network that mimic the forward and reverse processes of standard diffusion models, respectively. DYffusion naturally facilitates multi-step and long-range forecasting, allowing for highly flexible, continuous-time sampling trajectories and the ability to trade-off performance with accelerated sampling at inference time. In addition, the dynamics-informed diffusion process in DYffusion imposes a strong inductive bias and significantly improves computational efficiency compared to traditional Gaussian noise-based diffusion models. Our approach performs competitively on probabilistic forecasting of complex dynamics in sea surface temperatures, Navier-Stokes flows, and spring mesh systems.

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an atomistic model for glass-forming liquids. This is a notoriously difficult task, as it amounts to ergodically exploring the complex free energy landscape of a disordered and frustrated many-body system. We optimize a normalizing flow model to successfully transform high-temperature configurations of a dense liquid into low-temperature ones, near the glass transition. We perform a detailed comparative analysis with established enhanced sampling techniques developed in the physics literature to assess and rank the performance of normalizing flows against state-of-the-art algorithms. We demonstrate that machine learning methods are very promising, showing a large speedup over conventional molecular dynamics. Normalizing flows show performances comparable to parallel tempering and population annealing, while still falling far behind the swap Monte Carlo algorithm. Our study highlights the potential of generative machine learning models in scientific computing for complex systems, but also points to some of its current limitations and the need for further improvement.

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling, due to their state-of-the art performance in many generation tasks while relying on mathematical foundations such as stochastic differential equations (SDEs) and ordinary differential equations (ODEs). Empirically, it has been reported that ODE based samples are inferior to SDE based samples. In this paper we rigorously describe the range of dynamics and approximations that arise when training score-based diffusion models, including the true SDE dynamics, the neural approximations, the various approximate particle dynamics that result, as well as their associated Fokker--Planck equations and the neural network approximations of these Fokker--Planck equations. We systematically analyse the difference between the ODE and SDE dynamics of score-based diffusion models, and link it to an associated Fokker--Planck equation. We derive a theoretical upper bound on the Wasserstein 2-distance between the ODE- and SDE-induced distributions in terms of a Fokker--Planck residual. We also show numerically that conventional score-based diffusion models can exhibit significant differences between ODE- and SDE-induced distributions which we demonstrate using explicit comparisons. Moreover, we show numerically that reducing the Fokker--Planck residual by adding it as an additional regularisation term leads to closing the gap between ODE- and SDE-induced distributions. Our experiments suggest that this regularisation can improve the distribution generated by the ODE, however that this can come at the cost of degraded SDE sample quality.

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

Many real-world systems exhibit temporal, dynamic behaviors, which are captured as time series of complex agent interactions. To perform temporal reasoning, current methods primarily encode temporal dynamics through simple sequence-based models. However, in general these models fail to efficiently capture the full spectrum of rich dynamics in the input, since the dynamics is not uniformly distributed. In particular, relevant information might be harder to extract and computing power is wasted for processing all individual timesteps, even if they contain no significant changes or no new information. Here we propose TimeGraphs, a novel approach that characterizes dynamic interactions as a hierarchical temporal graph, diverging from traditional sequential representations. Our approach models the interactions using a compact graph-based representation, enabling adaptive reasoning across diverse time scales. Adopting a self-supervised method, TimeGraphs constructs a multi-level event hierarchy from a temporal input, which is then used to efficiently reason about the unevenly distributed dynamics. This construction process is scalable and incremental to accommodate streaming data. We evaluate TimeGraphs on multiple datasets with complex, dynamic agent interactions, including a football simulator, the Resistance game, and the MOMA human activity dataset. The results demonstrate both robustness and efficiency of TimeGraphs on a range of temporal reasoning tasks. Our approach obtains state-of-the-art performance and leads to a performance increase of up to 12.2% on event prediction and recognition tasks over current approaches. Our experiments further demonstrate a wide array of capabilities including zero-shot generalization, robustness in case of data sparsity, and adaptability to streaming data flow.

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model -- and its qualitative and at times quantitative accuracy -- on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, and chemical reactions. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t. time. Inspired by this observation, we propose a new approach to predict the integration based on several velocity estimations with Newton-Cotes formulas and prove its effectiveness theoretically. Extensive experiments on several benchmarks empirically demonstrate consistent and significant improvement compared with the state-of-the-art methods.

Forecasting on sparse multivariate time series (MTS) aims to model the predictors of future values of time series given their incomplete past, which is important for many emerging applications. However, most existing methods process MTS's individually, and do not leverage the dynamic distributions underlying the MTS's, leading to sub-optimal results when the sparsity is high. To address this challenge, we propose a novel generative model, which tracks the transition of latent clusters, instead of isolated feature representations, to achieve robust modeling. It is characterized by a newly designed dynamic Gaussian mixture distribution, which captures the dynamics of clustering structures, and is used for emitting timeseries. The generative model is parameterized by neural networks. A structured inference network is also designed for enabling inductive analysis. A gating mechanism is further introduced to dynamically tune the Gaussian mixture distributions. Extensive experimental results on a variety of real-life datasets demonstrate the effectiveness of our method.

Realistic simulation is critical for applications ranging from robotics to animation. Traditional analytic simulators sometimes struggle to capture sufficiently realistic simulation which can lead to problems including the well known "sim-to-real" gap in robotics. Learned simulators have emerged as an alternative for better capturing real-world physical dynamics, but require access to privileged ground truth physics information such as precise object geometry or particle tracks. Here we propose a method for learning simulators directly from observations. Visual Particle Dynamics (VPD) jointly learns a latent particle-based representation of 3D scenes, a neural simulator of the latent particle dynamics, and a renderer that can produce images of the scene from arbitrary views. VPD learns end to end from posed RGB-D videos and does not require access to privileged information. Unlike existing 2D video prediction models, we show that VPD's 3D structure enables scene editing and long-term predictions. These results pave the way for downstream applications ranging from video editing to robotic planning.

Generalizing policies across different domains with dynamics mismatch poses a significant challenge in reinforcement learning. For example, a robot learns the policy in a simulator, but when it is deployed in the real world, the dynamics of the environment may be different. Given the source and target domain with dynamics mismatch, we consider the online dynamics adaptation problem, in which case the agent can access sufficient source domain data while online interactions with the target domain are limited. Existing research has attempted to solve the problem from the dynamics discrepancy perspective. In this work, we reveal the limitations of these methods and explore the problem from the value difference perspective via a novel insight on the value consistency across domains. Specifically, we present the Value-Guided Data Filtering (VGDF) algorithm, which selectively shares transitions from the source domain based on the proximity of paired value targets across the two domains. Empirical results on various environments with kinematic and morphology shifts demonstrate that our method achieves superior performance compared to prior approaches.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds (1fs=10^{-15}s). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of 10^{5} - 10^{6}:fs. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD. Our method constitutes an important step towards general, transferable algorithms for accelerating MD.

Markov processes are widely used mathematical models for describing dynamic systems in various fields. However, accurately simulating large-scale systems at long time scales is computationally expensive due to the short time steps required for accurate integration. In this paper, we introduce an inference process that maps complex systems into a simplified representational space and models large jumps in time. To achieve this, we propose Time-lagged Information Bottleneck (T-IB), a principled objective rooted in information theory, which aims to capture relevant temporal features while discarding high-frequency information to simplify the simulation task and minimize the inference error. Our experiments demonstrate that T-IB learns information-optimal representations for accurately modeling the statistical properties and dynamics of the original process at a selected time lag, outperforming existing time-lagged dimensionality reduction methods.

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Mamba state-space models (SSMs) were recently shown to outperform state-of-the-art (SOTA) Transformer large language models (LLMs) across various tasks. Despite subsequent widespread adaptation, little work has focused on Mamba LLMs' amenability for fine-tuning frameworks ubiquitously used for Transformer-based LLMs, e.g., mixed-precision fine-tuning (MPFT) and parameter-efficient fine-tuning (PEFT). For the former, it currently remains an open question whether Mamba's recurrent dynamics are robust to small input changes, such as those encountered during MPFT. Using dynamical systems theory (in particular, Lyapunov exponents), we answer this question in the affirmative. We empirically validate this result through several experiments, showing that Mamba SSMs are significantly more stable to changes introduced by mixed-precision than comparable Transformers, even when both MPFT and PEFT are combined. For PEFT, we show how targeting specific memory buffers in Mamba's customized CUDA kernels for low-rank adaptation regularizes SSM parameters, thus providing both parameter efficient learning and computational savings. Finally, with both MPFT and PEFT enabled, we explore the impact of instruction tuning Mamba SSMs for in-context learning (ICL) on natural language tasks. While pretrained Mamba and Mamba-2 models only achieve 38% and 82% (respectively) of the ICL improvements of comparable Transformer-based LLMs, we show that instruction tuning allows Mamba models to narrow this gap to 81% and Mamba-2 models to skyrocket over this gap to 132%.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

We study the variance of stochastic policy gradients (SPGs) with many action samples per state. We derive a many-actions optimality condition, which determines when many-actions SPG yields lower variance as compared to a single-action agent with proportionally extended trajectory. We propose Model-Based Many-Actions (MBMA), an approach leveraging dynamics models for many-actions sampling in the context of SPG. MBMA addresses issues associated with existing implementations of many-actions SPG and yields lower bias and comparable variance to SPG estimated from states in model-simulated rollouts. We find that MBMA bias and variance structure matches that predicted by theory. As a result, MBMA achieves improved sample efficiency and higher returns on a range of continuous action environments as compared to model-free, many-actions, and model-based on-policy SPG baselines.

Accurately predicting the future fluid is important to extensive areas, such as meteorology, oceanology and aerodynamics. However, since the fluid is usually observed from an Eulerian perspective, its active and intricate dynamics are seriously obscured and confounded in static grids, bringing horny challenges to the prediction. This paper introduces a new Lagrangian-guided paradigm to tackle the tanglesome fluid dynamics. Instead of solely predicting the future based on Eulerian observations, we propose the Eulerian-Lagrangian Dual Recurrent Network (EuLagNet), which captures multiscale fluid dynamics by tracking movements of adaptively sampled key particles on multiple scales and integrating dynamics information over time. Concretely, a EuLag Block is presented to communicate the learned Eulerian and Lagrangian features at each moment and scale, where the motion of tracked particles is inferred from Eulerian observations and their accumulated dynamics information is incorporated into Eulerian fields to guide future prediction. Tracking key particles not only provides a clear and interpretable clue for fluid dynamics but also makes our model free from modeling complex correlations among massive grids for better efficiency. Experimentally, EuLagNet excels in three challenging fluid prediction tasks, covering both 2D and 3D, simulated and real-world fluids.

We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models (or material models). Without explicit PDE knowledge, these approaches cannot guarantee physical correctness and have limited generalizability. We argue that the governing PDEs are often well-known and should be explicitly enforced rather than learned. Instead, constitutive models are particularly suitable for learning due to their data-fitting nature. To this end, we introduce a new framework termed "Neural Constitutive Laws" (NCLaw), which utilizes a network architecture that strictly guarantees standard constitutive priors, including rotation equivariance and undeformed state equilibrium. We embed this network inside a differentiable simulation and train the model by minimizing a loss function based on the difference between the simulation and the motion observation. We validate NCLaw on various large-deformation dynamical systems, ranging from solids to fluids. After training on a single motion trajectory, our method generalizes to new geometries, initial/boundary conditions, temporal ranges, and even multi-physics systems. On these extremely out-of-distribution generalization tasks, NCLaw is orders-of-magnitude more accurate than previous NN approaches. Real-world experiments demonstrate our method's ability to learn constitutive laws from videos.

Despite remarkable achievements in video synthesis, achieving granular control over complex dynamics, such as nuanced movement among multiple interacting objects, still presents a significant hurdle for dynamic world modeling, compounded by the necessity to manage appearance and disappearance, drastic scale changes, and ensure consistency for instances across frames. These challenges hinder the development of video generation that can faithfully mimic real-world complexity, limiting utility for applications requiring high-level realism and controllability, including advanced scene simulation and training of perception systems. To address that, we propose TrackDiffusion, a novel video generation framework affording fine-grained trajectory-conditioned motion control via diffusion models, which facilitates the precise manipulation of the object trajectories and interactions, overcoming the prevalent limitation of scale and continuity disruptions. A pivotal component of TrackDiffusion is the instance enhancer, which explicitly ensures inter-frame consistency of multiple objects, a critical factor overlooked in the current literature. Moreover, we demonstrate that generated video sequences by our TrackDiffusion can be used as training data for visual perception models. To the best of our knowledge, this is the first work to apply video diffusion models with tracklet conditions and demonstrate that generated frames can be beneficial for improving the performance of object trackers.

We derive an expression for the variation between parallel trajectories in phenotypic evolution, extending the well known result that predicts the mean evolutionary path in adaptive dynamics or quantitative genetics. We show how this expression gives rise to the notion of fluctuation domains - parts of the fitness landscape where the rate of evolution is very predictable (due to fluctuation dissipation) and parts where it is highly variable (due to fluctuation enhancement). These fluctuation domains are determined by the curvature of the fitness landscape. Regions of the fitness landscape with positive curvature, such as adaptive valleys or branching points, experience enhancement. Regions with negative curvature, such as adaptive peaks, experience dissipation. We explore these dynamics in the ecological scenarios of implicit and explicit competition for a limiting resource.

Offline reinforcement learning aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively ``bootstrapping from the void.'' This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Code open-sourced at: github.com/anyasims/edge-of-reach.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated interactions between sub-systems also evolve over time. This setting is fairly common in the real world but has been less considered. In this paper, we propose a sequential learning approach under this setting by decoupling a complex system for handling irregularly sampled and cluttered sequential observations. Such decoupling brings about not only subsystems describing the dynamics of each latent entity but also a meta-system capturing the interaction between entities over time. Specifically, we argue that the meta-system evolving within a simplex is governed by projected differential equations (ProjDEs). We further analyze and provide neural-friendly projection operators in the context of Bregman divergence. Experimental results on synthetic and real-world datasets show the advantages of our approach when facing complex and cluttered sequential data compared to the state-of-the-art.

The dynamics of materials failure is one of the most critical phenomena in a range of scientific and engineering fields, from healthcare to structural materials to transportation. In this paper we propose a specially designed deep neural network, DyFraNet, which can predict dynamic fracture behaviors by identifying a complete history of fracture propagation - from cracking onset, as a crack grows through the material, modeled as a series of frames evolving over time and dependent on each other. Furthermore, this model can not only forecast future fracture processes but also backcast to elucidate the past fracture history. In this scenario, once provided with the outcome of a fracture event, the model will elucidate past events that led to this state and will predict the future evolution of the failure process. By comparing the predicted results with atomistic-level simulations and theory, we show that DyFraNet can capture dynamic fracture mechanics by accurately predicting how cracks develop over time, including measures such as the crack speed, as well as when cracks become unstable. We use GradCAM to interpret how DyFraNet perceives the relationship between geometric conditions and fracture dynamics and we find DyFraNet pays special attention to the areas around crack tips, which have a critical influence in the early stage of fracture propagation. In later stages, the model pays increased attention to the existing or newly formed damage distribution in the material. The proposed approach offers significant potential to accelerate the exploration of the dynamics in material design against fracture failures and can be beneficially adapted for all kinds of dynamical engineering problems.

Large Language Models (LLMs) are typically trained in two phases: pre-training on large internet-scale datasets, and fine-tuning for downstream tasks. Given the higher computational demand of pre-training, it's intuitive to assume that fine-tuning adds less new information to the model, and is thus more compressible. We explore this assumption by decomposing the weights of fine-tuned models into their pre-trained components and an additional delta. We introduce a simple method, BitDelta, which successfully quantizes this delta down to 1 bit without compromising performance. This interesting finding not only highlights the potential redundancy of information added during fine-tuning, but also has significant implications for the multi-tenant serving and multi-tenant storage of fine-tuned models. By enabling the use of a single high-precision base model accompanied by multiple 1-bit deltas, BitDelta dramatically reduces GPU memory requirements by more than 10x, which can also be translated to enhanced generation latency in multi-tenant settings. We validate BitDelta through experiments across Llama-2 and Mistral model families, and on models up to 70B parameters, showcasing minimal performance degradation over all tested settings.

Model-based reinforcement learning is a powerful tool, but collecting data to fit an accurate model of the system can be costly. Exploring an unknown environment in a sample-efficient manner is hence of great importance. However, the complexity of dynamics and the computational limitations of real systems make this task challenging. In this work, we introduce FLEX, an exploration algorithm for nonlinear dynamics based on optimal experimental design. Our policy maximizes the information of the next step and results in an adaptive exploration algorithm, compatible with generic parametric learning models and requiring minimal resources. We test our method on a number of nonlinear environments covering different settings, including time-varying dynamics. Keeping in mind that exploration is intended to serve an exploitation objective, we also test our algorithm on downstream model-based classical control tasks and compare it to other state-of-the-art model-based and model-free approaches. The performance achieved by FLEX is competitive and its computational cost is low.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

Human motion modeling is important for many modern graphics applications, which typically require professional skills. In order to remove the skill barriers for laymen, recent motion generation methods can directly generate human motions conditioned on natural languages. However, it remains challenging to achieve diverse and fine-grained motion generation with various text inputs. To address this problem, we propose MotionDiffuse, the first diffusion model-based text-driven motion generation framework, which demonstrates several desired properties over existing methods. 1) Probabilistic Mapping. Instead of a deterministic language-motion mapping, MotionDiffuse generates motions through a series of denoising steps in which variations are injected. 2) Realistic Synthesis. MotionDiffuse excels at modeling complicated data distribution and generating vivid motion sequences. 3) Multi-Level Manipulation. MotionDiffuse responds to fine-grained instructions on body parts, and arbitrary-length motion synthesis with time-varied text prompts. Our experiments show MotionDiffuse outperforms existing SoTA methods by convincing margins on text-driven motion generation and action-conditioned motion generation. A qualitative analysis further demonstrates MotionDiffuse's controllability for comprehensive motion generation. Homepage: https://mingyuan-zhang.github.io/projects/MotionDiffuse.html

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

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.

In an experiment on a turbulent jet, we detect interfacial turbulent layers in a frame that moves, on average, along with the \tnti. This significantly prolongs the observation time of scalar and velocity structures and enables the measurement of two types of Lagrangian coherent structures. One structure, the finite-time Lyapunov field (FTLE), quantifies advective transport barriers of fluid parcels while the other structure highlights barriers of diffusive momentum transport. These two complementary structures depend on large-scale and small-scale motion and are therefore associated with the growth of the turbulent region through engulfment or nibbling, respectively. We detect the \tnti\ from cluster analysis, where we divide the measured scalar field into four clusters. Not only the \tnti\ can be found this way, but also the next, internal, turbulent-turbulent interface. Conditional averages show that these interfaces are correlated with barriers of advective and diffusive transport when the Lagrangian integration time is smaller than the integral time scale. Diffusive structures decorrelate faster since they have a smaller timescale. Conditional averages of these structures at internal turbulent-turbulent interfaces show the same pattern with a more pronounced jump at the interface indicative of a shear layer. This is quite an unexpected outcome, as the internal interface is now defined not by the presence or absence of vorticity, but by conditional vorticity corresponding to two uniform concentration zones. The long-time diffusive momentum flux along Lagrangian paths represents the growth of the turbulent flow into the irrotational domain, a direct demonstration of nibbling. The diffusive flux parallel to the \tnti\ appears to be concentrated in a diffusive superlayer whose width is comparable with the Taylor microscale, which is relatively invariant in time.

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world continuous-time dynamic systems with inherent noise and randomness. Combining SDEs with the powerful inference capabilities of variational methods, enables the learning of representative function distributions through stochastic gradient descent. However, conventional SDEs typically assume the underlying noise to follow a Brownian motion (BM), which hinders their ability to capture long-term dependencies. In contrast, fractional Brownian motion (fBM) extends BM to encompass non-Markovian dynamics, but existing methods for inferring fBM parameters are either computationally demanding or statistically inefficient. In this paper, building upon the Markov approximation of fBM, we derive the evidence lower bound essential for efficient variational inference of posterior path measures, drawing from the well-established field of stochastic analysis. Additionally, we provide a closed-form expression to determine optimal approximation coefficients. Furthermore, we propose the use of neural networks to learn the drift, diffusion and control terms within our variational posterior, leading to the variational training of neural-SDEs. In this framework, we also optimize the Hurst index, governing the nature of our fractional noise. Beyond validation on synthetic data, we contribute a novel architecture for variational latent video prediction,-an approach that, to the best of our knowledge, enables the first variational neural-SDE application to video perception.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

In many real-world settings, agents must learn from an offline dataset gathered by some prior behavior policy. Such a setting naturally leads to distribution shift between the behavior policy and the target policy being trained - requiring policy conservatism to avoid instability and overestimation bias. Autoregressive world models offer a different solution to this by generating synthetic, on-policy experience. However, in practice, model rollouts must be severely truncated to avoid compounding error. As an alternative, we propose policy-guided diffusion. Our method uses diffusion models to generate entire trajectories under the behavior distribution, applying guidance from the target policy to move synthetic experience further on-policy. We show that policy-guided diffusion models a regularized form of the target distribution that balances action likelihood under both the target and behavior policies, leading to plausible trajectories with high target policy probability, while retaining a lower dynamics error than an offline world model baseline. Using synthetic experience from policy-guided diffusion as a drop-in substitute for real data, we demonstrate significant improvements in performance across a range of standard offline reinforcement learning algorithms and environments. Our approach provides an effective alternative to autoregressive offline world models, opening the door to the controllable generation of synthetic training data.

Diffusion models produce impressive results in modalities ranging from images and video to protein design and text. However, generating samples with user-specified properties remains a challenge. Recent research proposes fine-tuning models to maximize rewards that capture desired properties, but these methods require expensive training and are prone to mode collapse. In this work, we propose Feynman Kac (FK) steering, an inference-time framework for steering diffusion models with reward functions. FK steering works by sampling a system of multiple interacting diffusion processes, called particles, and resampling particles at intermediate steps based on scores computed using functions called potentials. Potentials are defined using rewards for intermediate states and are selected such that a high value indicates that the particle will yield a high-reward sample. We explore various choices of potentials, intermediate rewards, and samplers. We evaluate FK steering on text-to-image and text diffusion models. For steering text-to-image models with a human preference reward, we find that FK steering a 0.8B parameter model outperforms a 2.6B parameter fine-tuned model on prompt fidelity, with faster sampling and no training. For steering text diffusion models with rewards for text quality and specific text attributes, we find that FK steering generates lower perplexity, more linguistically acceptable outputs and enables gradient-free control of attributes like toxicity. Our results demonstrate that inference-time scaling and steering of diffusion models, even with off-the-shelf rewards, can provide significant sample quality gains and controllability benefits. Code is available at https://github.com/zacharyhorvitz/Fk-Diffusion-Steering .

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

In this paper, we introduce a new class of score-based generative models (SGMs) designed to handle high-cardinality data distributions by leveraging concepts from mean-field theory. We present mean-field chaos diffusion models (MF-CDMs), which address the curse of dimensionality inherent in high-cardinality data by utilizing the propagation of chaos property of interacting particles. By treating high-cardinality data as a large stochastic system of interacting particles, we develop a novel score-matching method for infinite-dimensional chaotic particle systems and propose an approximation scheme that employs a subdivision strategy for efficient training. Our theoretical and empirical results demonstrate the scalability and effectiveness of MF-CDMs for managing large high-cardinality data structures, such as 3D point clouds.

Methods based on ordinary differential equations (ODEs) are widely used to build generative models of time-series. In addition to high computational overhead due to explicitly computing hidden states recurrence, existing ODE-based models fall short in learning sequence data with sharp transitions - common in many real-world systems - due to numerical challenges during optimization. In this work, we propose LS4, a generative model for sequences with latent variables evolving according to a state space ODE to increase modeling capacity. Inspired by recent deep state space models (S4), we achieve speedups by leveraging a convolutional representation of LS4 which bypasses the explicit evaluation of hidden states. We show that LS4 significantly outperforms previous continuous-time generative models in terms of marginal distribution, classification, and prediction scores on real-world datasets in the Monash Forecasting Repository, and is capable of modeling highly stochastic data with sharp temporal transitions. LS4 sets state-of-the-art for continuous-time latent generative models, with significant improvement of mean squared error and tighter variational lower bounds on irregularly-sampled datasets, while also being x100 faster than other baselines on long sequences.

Koopman representations aim to learn features of nonlinear dynamical systems (NLDS) which lead to linear dynamics in the latent space. Theoretically, such features can be used to simplify many problems in modeling and control of NLDS. In this work we study autoencoder formulations of this problem, and different ways they can be used to model dynamics, specifically for future state prediction over long horizons. We discover several limitations of predicting future states in the latent space and propose an inference-time mechanism, which we refer to as Periodic Reencoding, for faithfully capturing long term dynamics. We justify this method both analytically and empirically via experiments in low and high dimensional NLDS.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

Scaling data and model size has been proven effective for boosting the performance of large language models. In addition to training-time scaling, recent studies have revealed that increasing test-time computational resources can further improve performance. In this work, we introduce Aggregation Fine-Tuning (AFT), a supervised finetuning paradigm where the model learns to synthesize multiple draft responses, referred to as proposals, into a single, refined answer, termed aggregation. At inference time, a propose-and-aggregate strategy further boosts performance by iteratively generating proposals and aggregating them. Empirical evaluations on benchmark datasets show that AFT-trained models substantially outperform standard SFT. Notably, an AFT model, fine-tuned from Llama3.1-8B-Base with only 64k data, achieves a 41.3% LC win rate on AlpacaEval 2, surpassing significantly larger LLMs such as Llama3.1-405B-Instruct and GPT4. By combining sequential refinement and parallel sampling, the propose-and-aggregate framework scales inference-time computation in a flexible manner. Overall, These findings position AFT as a promising approach to unlocking additional capabilities of LLMs without resorting to increasing data volume or model size.

We propose Diffusion-Sharpening, a fine-tuning approach that enhances downstream alignment by optimizing sampling trajectories. Existing RL-based fine-tuning methods focus on single training timesteps and neglect trajectory-level alignment, while recent sampling trajectory optimization methods incur significant inference NFE costs. Diffusion-Sharpening overcomes this by using a path integral framework to select optimal trajectories during training, leveraging reward feedback, and amortizing inference costs. Our method demonstrates superior training efficiency with faster convergence, and best inference efficiency without requiring additional NFEs. Extensive experiments show that Diffusion-Sharpening outperforms RL-based fine-tuning methods (e.g., Diffusion-DPO) and sampling trajectory optimization methods (e.g., Inference Scaling) across diverse metrics including text alignment, compositional capabilities, and human preferences, offering a scalable and efficient solution for future diffusion model fine-tuning. Code: https://github.com/Gen-Verse/Diffusion-Sharpening

Diffusion (score-based) generative models have been widely used for modeling various types of complex data, including images, audios, and point clouds. Recently, the deep connection between forward-backward stochastic differential equations (SDEs) and diffusion-based models has been revealed, and several new variants of SDEs are proposed (e.g., sub-VP, critically-damped Langevin) along this line. Despite the empirical success of the hand-crafted fixed forward SDEs, a great quantity of proper forward SDEs remain unexplored. In this work, we propose a general framework for parameterizing the diffusion model, especially the spatial part of the forward SDE. An abstract formalism is introduced with theoretical guarantees, and its connection with previous diffusion models is leveraged. We demonstrate the theoretical advantage of our method from an optimization perspective. Numerical experiments on synthetic datasets, MINIST and CIFAR10 are also presented to validate the effectiveness of our framework.

Diffusion-based generative models use stochastic differential equations (SDEs) and their equivalent ordinary differential equations (ODEs) to establish a smooth connection between a complex data distribution and a tractable prior distribution. In this paper, we identify several intriguing trajectory properties in the ODE-based sampling process of diffusion models. We characterize an implicit denoising trajectory and discuss its vital role in forming the coupled sampling trajectory with a strong shape regularity, regardless of the generated content. We also describe a dynamic programming-based scheme to make the time schedule in sampling better fit the underlying trajectory structure. This simple strategy requires minimal modification to any given ODE-based numerical solvers and incurs negligible computational cost, while delivering superior performance in image generation, especially in 5sim 10 function evaluations.

The dynamics of biomolecules are crucial for our understanding of their functioning in living systems. However, current 3D imaging techniques, such as cryogenic electron microscopy (cryo-EM), require freezing the sample, which limits the observation of their conformational changes in real time. The innovative liquid-phase electron microscopy (liquid-phase EM) technique allows molecules to be placed in the native liquid environment, providing a unique opportunity to observe their dynamics. In this paper, we propose TEMPOR, a Temporal Electron MicroscoPy Object Reconstruction algorithm for liquid-phase EM that leverages an implicit neural representation (INR) and a dynamical variational auto-encoder (DVAE) to recover time series of molecular structures. We demonstrate its advantages in recovering different motion dynamics from two simulated datasets, 7bcq and Cas9. To our knowledge, our work is the first attempt to directly recover 3D structures of a temporally-varying particle from liquid-phase EM movies. It provides a promising new approach for studying molecules' 3D dynamics in structural biology.

Score-based diffusion models are a class of generative models whose dynamics is described by stochastic differential equations that map noise into data. While recent works have started to lay down a theoretical foundation for these models, an analytical understanding of the role of the diffusion time T is still lacking. Current best practice advocates for a large T to ensure that the forward dynamics brings the diffusion sufficiently close to a known and simple noise distribution; however, a smaller value of T should be preferred for a better approximation of the score-matching objective and higher computational efficiency. Starting from a variational interpretation of diffusion models, in this work we quantify this trade-off, and suggest a new method to improve quality and efficiency of both training and sampling, by adopting smaller diffusion times. Indeed, we show how an auxiliary model can be used to bridge the gap between the ideal and the simulated forward dynamics, followed by a standard reverse diffusion process. Empirical results support our analysis; for image data, our method is competitive w.r.t. the state-of-the-art, according to standard sample quality metrics and log-likelihood.

Learning a precise dynamics model can be crucial for offline reinforcement learning, which, unfortunately, has been found to be quite challenging. Dynamics models that are learned by fitting historical transitions often struggle to generalize to unseen transitions. In this study, we identify a hidden but pivotal factor termed dynamics reward that remains consistent across transitions, offering a pathway to better generalization. Therefore, we propose the idea of reward-consistent dynamics models: any trajectory generated by the dynamics model should maximize the dynamics reward derived from the data. We implement this idea as the MOREC (Model-based Offline reinforcement learning with Reward Consistency) method, which can be seamlessly integrated into previous offline model-based reinforcement learning (MBRL) methods. MOREC learns a generalizable dynamics reward function from offline data, which is subsequently employed as a transition filter in any offline MBRL method: when generating transitions, the dynamics model generates a batch of transitions and selects the one with the highest dynamics reward value. On a synthetic task, we visualize that MOREC has a strong generalization ability and can surprisingly recover some distant unseen transitions. On 21 offline tasks in D4RL and NeoRL benchmarks, MOREC improves the previous state-of-the-art performance by a significant margin, i.e., 4.6% on D4RL tasks and 25.9% on NeoRL tasks. Notably, MOREC is the first method that can achieve above 95% online RL performance in 6 out of 12 D4RL tasks and 3 out of 9 NeoRL tasks.

Recent work has demonstrated the significant potential of denoising diffusion models for generating human motion, including text-to-motion capabilities. However, these methods are restricted by the paucity of annotated motion data, a focus on single-person motions, and a lack of detailed control. In this paper, we introduce three forms of composition based on diffusion priors: sequential, parallel, and model composition. Using sequential composition, we tackle the challenge of long sequence generation. We introduce DoubleTake, an inference-time method with which we generate long animations consisting of sequences of prompted intervals and their transitions, using a prior trained only for short clips. Using parallel composition, we show promising steps toward two-person generation. Beginning with two fixed priors as well as a few two-person training examples, we learn a slim communication block, ComMDM, to coordinate interaction between the two resulting motions. Lastly, using model composition, we first train individual priors to complete motions that realize a prescribed motion for a given joint. We then introduce DiffusionBlending, an interpolation mechanism to effectively blend several such models to enable flexible and efficient fine-grained joint and trajectory-level control and editing. We evaluate the composition methods using an off-the-shelf motion diffusion model, and further compare the results to dedicated models trained for these specific tasks.

In the last decade many research efforts have been focused on understanding the rheology of disordered materials, and several theoretical predictions have been put forward regarding their yielding behavior. Nevertheless, not many experiments nor molecular dynamics simulations were dedicated to testing those theoretical predictions. Here we use computer simulations to study the yielding transition under two different loading schemes: standard simple shear dynamics, and self-propelled, dense active systems. In the active systems a yielding transition is observed as expected, when the self-propulsion is increased. However, the range of self-propulsions in which a pure liquid regime exist appears to vanish upon approaching the so-called "jamming point" at which solidity of soft-sphere packings is lost. Such an "active yielding" transition shares similarities with the generic yielding transition for shear flows. A Herschel-Bulkley law is observed in both loading scenarios, with a clear difference in the critical scaling exponents between the two, suggesting the existent of different universality classes for the yielding transition under different driving conditions. In addition, we present direct measurements of length and time scales for both driving scenarios. A comparison with theoretical predictions from recent literature reveals poor agreement with our numerical results.

We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

The study of social emergence has long been a central focus in social science. Traditional modeling approaches, such as rule-based Agent-Based Models (ABMs), struggle to capture the diversity and complexity of human behavior, particularly the irrational factors emphasized in behavioral economics. Recently, large language model (LLM) agents have gained traction as simulation tools for modeling human behavior in social science and role-playing applications. Studies suggest that LLMs can account for cognitive biases, emotional fluctuations, and other non-rational influences, enabling more realistic simulations of socio-economic dynamics. In this work, we introduce TwinMarket, a novel multi-agent framework that leverages LLMs to simulate socio-economic systems. Specifically, we examine how individual behaviors, through interactions and feedback mechanisms, give rise to collective dynamics and emergent phenomena. Through experiments in a simulated stock market environment, we demonstrate how individual actions can trigger group behaviors, leading to emergent outcomes such as financial bubbles and recessions. Our approach provides valuable insights into the complex interplay between individual decision-making and collective socio-economic patterns.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Controllable video generation has gained significant attention in recent years. However, two main limitations persist: Firstly, most existing works focus on either text, image, or trajectory-based control, leading to an inability to achieve fine-grained control in videos. Secondly, trajectory control research is still in its early stages, with most experiments being conducted on simple datasets like Human3.6M. This constraint limits the models' capability to process open-domain images and effectively handle complex curved trajectories. In this paper, we propose DragNUWA, an open-domain diffusion-based video generation model. To tackle the issue of insufficient control granularity in existing works, we simultaneously introduce text, image, and trajectory information to provide fine-grained control over video content from semantic, spatial, and temporal perspectives. To resolve the problem of limited open-domain trajectory control in current research, We propose trajectory modeling with three aspects: a Trajectory Sampler (TS) to enable open-domain control of arbitrary trajectories, a Multiscale Fusion (MF) to control trajectories in different granularities, and an Adaptive Training (AT) strategy to generate consistent videos following trajectories. Our experiments validate the effectiveness of DragNUWA, demonstrating its superior performance in fine-grained control in video generation. The homepage link is https://www.microsoft.com/en-us/research/project/dragnuwa/

Chaos and unpredictability are traditionally synonymous, yet large-scale machine learning methods recently have demonstrated a surprising ability to forecast chaotic systems well beyond typical predictability horizons. However, recent works disagree on whether specialized methods grounded in dynamical systems theory, such as reservoir computers or neural ordinary differential equations, outperform general-purpose large-scale learning methods such as transformers or recurrent neural networks. These prior studies perform comparisons on few individually-chosen chaotic systems, thereby precluding robust quantification of how statistical modeling choices and dynamical invariants of different chaotic systems jointly determine empirical predictability. Here, we perform the largest to-date comparative study of forecasting methods on the classical problem of forecasting chaos: we benchmark 24 state-of-the-art forecasting methods on a crowdsourced database of 135 low-dimensional systems with 17 forecast metrics. We find that large-scale, domain-agnostic forecasting methods consistently produce predictions that remain accurate up to two dozen Lyapunov times, thereby accessing a new long-horizon forecasting regime well beyond classical methods. We find that, in this regime, accuracy decorrelates with classical invariant measures of predictability like the Lyapunov exponent. However, in data-limited settings outside the long-horizon regime, we find that physics-based hybrid methods retain a comparative advantage due to their strong inductive biases.

Dynamics models learned from visual observations have shown to be effective in various robotic manipulation tasks. One of the key questions for learning such dynamics models is what scene representation to use. Prior works typically assume representation at a fixed dimension or resolution, which may be inefficient for simple tasks and ineffective for more complicated tasks. In this work, we investigate how to learn dynamic and adaptive representations at different levels of abstraction to achieve the optimal trade-off between efficiency and effectiveness. Specifically, we construct dynamic-resolution particle representations of the environment and learn a unified dynamics model using graph neural networks (GNNs) that allows continuous selection of the abstraction level. During test time, the agent can adaptively determine the optimal resolution at each model-predictive control (MPC) step. We evaluate our method in object pile manipulation, a task we commonly encounter in cooking, agriculture, manufacturing, and pharmaceutical applications. Through comprehensive evaluations both in the simulation and the real world, we show that our method achieves significantly better performance than state-of-the-art fixed-resolution baselines at the gathering, sorting, and redistribution of granular object piles made with various instances like coffee beans, almonds, corn, etc.

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

Diffusion models suffer from slow sample generation at inference time. Therefore, developing a principled framework for fast deterministic/stochastic sampling for a broader class of diffusion models is a promising direction. We propose two complementary frameworks for accelerating sample generation in pre-trained models: Conjugate Integrators and Splitting Integrators. Conjugate integrators generalize DDIM, mapping the reverse diffusion dynamics to a more amenable space for sampling. In contrast, splitting-based integrators, commonly used in molecular dynamics, reduce the numerical simulation error by cleverly alternating between numerical updates involving the data and auxiliary variables. After extensively studying these methods empirically and theoretically, we present a hybrid method that leads to the best-reported performance for diffusion models in augmented spaces. Applied to Phase Space Langevin Diffusion [Pandey & Mandt, 2023] on CIFAR-10, our deterministic and stochastic samplers achieve FID scores of 2.11 and 2.36 in only 100 network function evaluations (NFE) as compared to 2.57 and 2.63 for the best-performing baselines, respectively. Our code and model checkpoints will be made publicly available at https://github.com/mandt-lab/PSLD.

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

We consider dense, associative neural-networks trained with no supervision and we investigate their computational capabilities analytically, via a statistical-mechanics approach, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as the quality and quantity of the training dataset and the network storage, valid in the limit of large network size and structureless datasets. Moreover, we establish a bridge between macroscopic observables standardly used in statistical mechanics and loss functions typically used in the machine learning. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate neural networks in general.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

We present a novel approach for generating motion primitives for kinodynamic motion planning using diffusion models. The motions generated by our approach are adapted to each problem instance by utilizing problem-specific parameters, allowing for finding solutions faster and of better quality. The diffusion models used in our approach are trained on randomly cut solution trajectories. These trajectories are created by solving randomly generated problem instances with a kinodynamic motion planner. Experimental results show significant improvements up to 30 percent in both computation time and solution quality across varying robot dynamics such as second-order unicycle or car with trailer.

State space models (SSMs) have shown remarkable empirical performance on many long sequence modeling tasks, but a theoretical understanding of these models is still lacking. In this work, we study the learning dynamics of linear SSMs to understand how covariance structure in data, latent state size, and initialization affect the evolution of parameters throughout learning with gradient descent. We show that focusing on the learning dynamics in the frequency domain affords analytical solutions under mild assumptions, and we establish a link between one-dimensional SSMs and the dynamics of deep linear feed-forward networks. Finally, we analyze how latent state over-parameterization affects convergence time and describe future work in extending our results to the study of deep SSMs with nonlinear connections. This work is a step toward a theory of learning dynamics in deep state space models.

Systems of interacting objects often evolve under the influence of field effects that govern their dynamics, yet previous works have abstracted away from such effects, and assume that systems evolve in a vacuum. In this work, we focus on discovering these fields, and infer them from the observed dynamics alone, without directly observing them. We theorize the presence of latent force fields, and propose neural fields to learn them. Since the observed dynamics constitute the net effect of local object interactions and global field effects, recently popularized equivariant networks are inapplicable, as they fail to capture global information. To address this, we propose to disentangle local object interactions -- which are SE(n) equivariant and depend on relative states -- from external global field effects -- which depend on absolute states. We model interactions with equivariant graph networks, and combine them with neural fields in a novel graph network that integrates field forces. Our experiments show that we can accurately discover the underlying fields in charged particles settings, traffic scenes, and gravitational n-body problems, and effectively use them to learn the system and forecast future trajectories.

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

Accurate prediction of climate in the subseasonal-to-seasonal scale is crucial for disaster readiness, reduced economic risk, and improved policy-making amidst climate change. Yet, S2S prediction remains challenging due to the chaotic nature of the system. At present, existing benchmarks for weather and climate applications, tend to (1) have shorter forecasting range of up-to 14 days, (2) do not include a wide range of operational baseline forecasts, and (3) lack physics-based constraints for explainability. Thus, we propose ChaosBench, a large-scale, multi-channel, physics-based benchmark for S2S prediction. ChaosBench has over 460K frames of real-world observations and simulations, each with 60 variable-channels and spanning for up-to 45 years. We also propose several physics-based, in addition to vision-based metrics, that enables for a more physically-consistent model. Furthermore, we include a diverse set of physics-based forecasts from 4 national weather agencies as baselines to our data-driven counterpart. We establish two tasks that vary in complexity: full and sparse dynamics prediction. Our benchmark is one of the first to perform large-scale evaluation on existing models including PanguWeather, FourCastNetV2, GraphCast, and ClimaX, and finds methods originally developed for weather-scale applications fails on S2S task. We release our benchmark code and datasets at https://leap-stc.github.io/ChaosBench.

In robotic visuomotor policy learning, diffusion-based models have achieved significant success in improving the accuracy of action trajectory generation compared to traditional autoregressive models. However, they suffer from inefficiency due to multiple denoising steps and limited flexibility from complex constraints. In this paper, we introduce Coarse-to-Fine AutoRegressive Policy (CARP), a novel paradigm for visuomotor policy learning that redefines the autoregressive action generation process as a coarse-to-fine, next-scale approach. CARP decouples action generation into two stages: first, an action autoencoder learns multi-scale representations of the entire action sequence; then, a GPT-style transformer refines the sequence prediction through a coarse-to-fine autoregressive process. This straightforward and intuitive approach produces highly accurate and smooth actions, matching or even surpassing the performance of diffusion-based policies while maintaining efficiency on par with autoregressive policies. We conduct extensive evaluations across diverse settings, including single-task and multi-task scenarios on state-based and image-based simulation benchmarks, as well as real-world tasks. CARP achieves competitive success rates, with up to a 10% improvement, and delivers 10x faster inference compared to state-of-the-art policies, establishing a high-performance, efficient, and flexible paradigm for action generation in robotic tasks.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at https://github.com/lujiarui/Str2Str

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm^3 on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

A popular approach to sample a diffusion-based generative model is to solve an ordinary differential equation (ODE). In existing samplers, the coefficients of the ODE solvers are pre-determined by the ODE formulation, the reverse discrete timesteps, and the employed ODE methods. In this paper, we consider accelerating several popular ODE-based sampling processes (including EDM, DDIM, and DPM-Solver) by optimizing certain coefficients via improved integration approximation (IIA). We propose to minimize, for each time step, a mean squared error (MSE) function with respect to the selected coefficients. The MSE is constructed by applying the original ODE solver for a set of fine-grained timesteps, which in principle provides a more accurate integration approximation in predicting the next diffusion state. The proposed IIA technique does not require any change of a pre-trained model, and only introduces a very small computational overhead for solving a number of quadratic optimization problems. Extensive experiments show that considerably better FID scores can be achieved by using IIA-EDM, IIA-DDIM, and IIA-DPM-Solver than the original counterparts when the neural function evaluation (NFE) is small (i.e., less than 25).

Energy-Based Models (EBMs) have emerged as a powerful framework in the realm of generative modeling, offering a unique perspective that aligns closely with principles of statistical mechanics. This review aims to provide physicists with a comprehensive understanding of EBMs, delineating their connection to other generative models such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Normalizing Flows. We explore the sampling techniques crucial for EBMs, including Markov Chain Monte Carlo (MCMC) methods, and draw parallels between EBM concepts and statistical mechanics, highlighting the significance of energy functions and partition functions. Furthermore, we delve into state-of-the-art training methodologies for EBMs, covering recent advancements and their implications for enhanced model performance and efficiency. This review is designed to clarify the often complex interconnections between these models, which can be challenging due to the diverse communities working on the topic.

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is computationally and statistically challenging due to the large number of latent variables in the model and the strong temporal dependencies between them. In this paper, we propose a new method for inference in Bayesian GPSSMs, which overcomes the drawbacks of previous approaches, namely over-simplified assumptions, and high computational requirements. Our method is based on free-form variational inference via stochastic gradient Hamiltonian Monte Carlo within the inducing-variable formalism. Furthermore, by exploiting our proposed variational distribution, we provide a collapsed extension of our method where the inducing variables are marginalized analytically. We also showcase results when combining our framework with particle MCMC methods. We show that, on six real-world datasets, our approach can learn transition dynamics and latent states more accurately than competing methods.

We present MotionDiffuser, a diffusion based representation for the joint distribution of future trajectories over multiple agents. Such representation has several key advantages: first, our model learns a highly multimodal distribution that captures diverse future outcomes. Second, the simple predictor design requires only a single L2 loss training objective, and does not depend on trajectory anchors. Third, our model is capable of learning the joint distribution for the motion of multiple agents in a permutation-invariant manner. Furthermore, we utilize a compressed trajectory representation via PCA, which improves model performance and allows for efficient computation of the exact sample log probability. Subsequently, we propose a general constrained sampling framework that enables controlled trajectory sampling based on differentiable cost functions. This strategy enables a host of applications such as enforcing rules and physical priors, or creating tailored simulation scenarios. MotionDiffuser can be combined with existing backbone architectures to achieve top motion forecasting results. We obtain state-of-the-art results for multi-agent motion prediction on the Waymo Open Motion Dataset.

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.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Learning accurate predictive models of real-world dynamic phenomena (e.g., climate, biological) remains a challenging task. One key issue is that the data generated by both natural and artificial processes often comprise time series that are irregularly sampled and/or contain missing observations. In this work, we propose the Neural Continuous-Discrete State Space Model (NCDSSM) for continuous-time modeling of time series through discrete-time observations. NCDSSM employs auxiliary variables to disentangle recognition from dynamics, thus requiring amortized inference only for the auxiliary variables. Leveraging techniques from continuous-discrete filtering theory, we demonstrate how to perform accurate Bayesian inference for the dynamic states. We propose three flexible parameterizations of the latent dynamics and an efficient training objective that marginalizes the dynamic states during inference. Empirical results on multiple benchmark datasets across various domains show improved imputation and forecasting performance of NCDSSM over existing models.

Video generation using diffusion-based models is constrained by high computational costs due to the frame-wise iterative diffusion process. This work presents a Diffusion Reuse MOtion (Dr. Mo) network to accelerate latent video generation. Our key discovery is that coarse-grained noises in earlier denoising steps have demonstrated high motion consistency across consecutive video frames. Following this observation, Dr. Mo propagates those coarse-grained noises onto the next frame by incorporating carefully designed, lightweight inter-frame motions, eliminating massive computational redundancy in frame-wise diffusion models. The more sensitive and fine-grained noises are still acquired via later denoising steps, which can be essential to retain visual qualities. As such, deciding which intermediate steps should switch from motion-based propagations to denoising can be a crucial problem and a key tradeoff between efficiency and quality. Dr. Mo employs a meta-network named Denoising Step Selector (DSS) to dynamically determine desirable intermediate steps across video frames. Extensive evaluations on video generation and editing tasks have shown that Dr. Mo can substantially accelerate diffusion models in video tasks with improved visual qualities.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

Understanding how language model performance varies with scale is critical to benchmark and algorithm development. Scaling laws are one approach to building this understanding, but the requirement of training models across many different scales has limited their use. We propose an alternative, observational approach that bypasses model training and instead builds scaling laws from ~80 publically available models. Building a single scaling law from multiple model families is challenging due to large variations in their training compute efficiencies and capabilities. However, we show that these variations are consistent with a simple, generalized scaling law where language model performance is a function of a low-dimensional capability space, and model families only vary in their efficiency in converting training compute to capabilities. Using this approach, we show the surprising predictability of complex scaling phenomena: we show that several emergent phenomena follow a smooth, sigmoidal behavior and are predictable from small models; we show that the agent performance of models such as GPT-4 can be precisely predicted from simpler non-agentic benchmarks; and we show how to predict the impact of post-training interventions like Chain-of-Thought and Self-Consistency as language model capabilities continue to improve.

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

The deep neural nets of modern artificial intelligence (AI) have not achieved defining features of biological intelligence, including abstraction, causal learning, and energy-efficiency. While scaling to larger models has delivered performance improvements for current applications, more brain-like capacities may demand new theories, models, and methods for designing artificial learning systems. Here, we argue that this opportunity to reassess insights from the brain should stimulate cooperation between AI research and theory-driven computational neuroscience (CN). To motivate a brain basis of neural computation, we present a dynamical view of intelligence from which we elaborate concepts of sparsity in network structure, temporal dynamics, and interactive learning. In particular, we suggest that temporal dynamics, as expressed through neural synchrony, nested oscillations, and flexible sequences, provide a rich computational layer for reading and updating hierarchical models distributed in long-term memory networks. Moreover, embracing agent-centered paradigms in AI and CN will accelerate our understanding of the complex dynamics and behaviors that build useful world models. A convergence of AI/CN theories and objectives will reveal dynamical principles of intelligence for brains and engineered learning systems. This article was inspired by our symposium on dynamical neuroscience and machine learning at the 6th Annual US/NIH BRAIN Initiative Investigators Meeting.

This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.

In this study, we propose Shortcut Fine-Tuning (SFT), a new approach for addressing the challenge of fast sampling of pretrained Denoising Diffusion Probabilistic Models (DDPMs). SFT advocates for the fine-tuning of DDPM samplers through the direct minimization of Integral Probability Metrics (IPM), instead of learning the backward diffusion process. This enables samplers to discover an alternative and more efficient sampling shortcut, deviating from the backward diffusion process. Inspired by a control perspective, we propose a new algorithm SFT-PG: Shortcut Fine-Tuning with Policy Gradient, and prove that under certain assumptions, gradient descent of diffusion models with respect to IPM is equivalent to performing policy gradient. To our best knowledge, this is the first attempt to utilize reinforcement learning (RL) methods to train diffusion models. Through empirical evaluation, we demonstrate that our fine-tuning method can further enhance existing fast DDPM samplers, resulting in sample quality comparable to or even surpassing that of the full-step model across various datasets.

Model-based reinforcement learning (RL) often achieves higher sample efficiency in practice than model-free RL by learning a dynamics model to generate samples for policy learning. Previous works learn a dynamics model that fits under the empirical state-action visitation distribution for all historical policies, i.e., the sample replay buffer. However, in this paper, we observe that fitting the dynamics model under the distribution for all historical policies does not necessarily benefit model prediction for the current policy since the policy in use is constantly evolving over time. The evolving policy during training will cause state-action visitation distribution shifts. We theoretically analyze how this distribution shift over historical policies affects the model learning and model rollouts. We then propose a novel dynamics model learning method, named Policy-adapted Dynamics Model Learning (PDML). PDML dynamically adjusts the historical policy mixture distribution to ensure the learned model can continually adapt to the state-action visitation distribution of the evolving policy. Experiments on a range of continuous control environments in MuJoCo show that PDML achieves significant improvement in sample efficiency and higher asymptotic performance combined with the state-of-the-art model-based RL methods.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Despite the significant recent progress in deep generative models, the underlying structure of their latent spaces is still poorly understood, thereby making the task of performing semantically meaningful latent traversals an open research challenge. Most prior work has aimed to solve this challenge by modeling latent structures linearly, and finding corresponding linear directions which result in `disentangled' generations. In this work, we instead propose to model latent structures with a learned dynamic potential landscape, thereby performing latent traversals as the flow of samples down the landscape's gradient. Inspired by physics, optimal transport, and neuroscience, these potential landscapes are learned as physically realistic partial differential equations, thereby allowing them to flexibly vary over both space and time. To achieve disentanglement, multiple potentials are learned simultaneously, and are constrained by a classifier to be distinct and semantically self-consistent. Experimentally, we demonstrate that our method achieves both more qualitatively and quantitatively disentangled trajectories than state-of-the-art baselines. Further, we demonstrate that our method can be integrated as a regularization term during training, thereby acting as an inductive bias towards the learning of structured representations, ultimately improving model likelihood on similarly structured data.

In this study, we propose a multi branched network approach to predict the dynamics of a physics attractor characterized by intricate and chaotic behavior. We introduce a unique neural network architecture comprised of Radial Basis Function (RBF) layers combined with an attention mechanism designed to effectively capture nonlinear inter-dependencies inherent in the attractor's temporal evolution. Our results demonstrate successful prediction of the attractor's trajectory across 100 predictions made using a real-world dataset of 36,700 time-series observations encompassing approximately 28 minutes of activity. To further illustrate the performance of our proposed technique, we provide comprehensive visualizations depicting the attractor's original and predicted behaviors alongside quantitative measures comparing observed versus estimated outcomes. Overall, this work showcases the potential of advanced machine learning algorithms in elucidating hidden structures in complex physical systems while offering practical applications in various domains requiring accurate short-term forecasting capabilities.

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical systems as factors of variation of the data generating process. By leveraging ideas from supervised disentanglement and causal factorization, we aim to separate the domain parameters from the dynamics in the latent space of generative models. In our experiments we model dynamics both in phase space and in video sequences and conduct rigorous OOD evaluations. Results indicate that disentangled VAEs adapt better to domain parameters spaces that were not present in the training data. At the same time, disentanglement can improve the long-term and out-of-distribution predictions of state-of-the-art models in video sequences.

We present AROMA (Attentive Reduced Order Model with Attention), a framework designed to enhance the modeling of partial differential equations (PDEs) using local neural fields. Our flexible encoder-decoder architecture can obtain smooth latent representations of spatial physical fields from a variety of data types, including irregular-grid inputs and point clouds. This versatility eliminates the need for patching and allows efficient processing of diverse geometries. The sequential nature of our latent representation can be interpreted spatially and permits the use of a conditional transformer for modeling the temporal dynamics of PDEs. By employing a diffusion-based formulation, we achieve greater stability and enable longer rollouts compared to conventional MSE training. AROMA's superior performance in simulating 1D and 2D equations underscores the efficacy of our approach in capturing complex dynamical behaviors.

Large pre-trained, zero-shot capable models have shown considerable success both for standard transfer and adaptation tasks, with particular robustness towards distribution shifts. In addition, subsequent fine-tuning can considerably improve performance on a selected downstream task. However, through naive fine-tuning, these zero-shot models lose their generalizability and robustness towards distribution shifts. This is a particular problem for tasks such as Continual Learning (CL), where continuous adaptation has to be performed as new task distributions are introduced sequentially. In this work, we showcase that where fine-tuning falls short to adapt such zero-shot capable models, simple momentum-based weight interpolation can provide consistent improvements for CL tasks in both memory-free and memory-based settings. In particular, we find improvements of over +4% on standard CL benchmarks, while reducing the error to the upper limit of jointly training on all tasks at once in parts by more than half, allowing the continual learner to inch closer to the joint training limits.

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

In recent years, there has been rapid development in 3D generation models, opening up new possibilities for applications such as simulating the dynamic movements of 3D objects and customizing their behaviors. However, current 3D generative models tend to focus only on surface features such as color and shape, neglecting the inherent physical properties that govern the behavior of objects in the real world. To accurately simulate physics-aligned dynamics, it is essential to predict the physical properties of materials and incorporate them into the behavior prediction process. Nonetheless, predicting the diverse materials of real-world objects is still challenging due to the complex nature of their physical attributes. In this paper, we propose Physics3D, a novel method for learning various physical properties of 3D objects through a video diffusion model. Our approach involves designing a highly generalizable physical simulation system based on a viscoelastic material model, which enables us to simulate a wide range of materials with high-fidelity capabilities. Moreover, we distill the physical priors from a video diffusion model that contains more understanding of realistic object materials. Extensive experiments demonstrate the effectiveness of our method with both elastic and plastic materials. Physics3D shows great potential for bridging the gap between the physical world and virtual neural space, providing a better integration and application of realistic physical principles in virtual environments. Project page: https://liuff19.github.io/Physics3D.

Recent years have witnessed significant progress in developing efficient training and fast sampling approaches for diffusion models. A recent remarkable advancement is the use of stochastic differential equations (SDEs) to describe data perturbation and generative modeling in a unified mathematical framework. In this paper, we reveal several intriguing geometric structures of diffusion models and contribute a simple yet powerful interpretation to their sampling dynamics. Through carefully inspecting a popular variance-exploding SDE and its marginal-preserving ordinary differential equation (ODE) for sampling, we discover that the data distribution and the noise distribution are smoothly connected with an explicit, quasi-linear sampling trajectory, and another implicit denoising trajectory, which even converges faster in terms of visual quality. We also establish a theoretical relationship between the optimal ODE-based sampling and the classic mean-shift (mode-seeking) algorithm, with which we can characterize the asymptotic behavior of diffusion models and identify the score deviation. These new geometric observations enable us to improve previous sampling algorithms, re-examine latent interpolation, as well as re-explain the working principles of distillation-based fast sampling techniques.

Recent ODE/SDE-based generative models, such as diffusion models, rectified flows, and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.

We propose that the grokking phenomenon, where the train loss of a neural network decreases much earlier than its test loss, can arise due to a neural network transitioning from lazy training dynamics to a rich, feature learning regime. To illustrate this mechanism, we study the simple setting of vanilla gradient descent on a polynomial regression problem with a two layer neural network which exhibits grokking without regularization in a way that cannot be explained by existing theories. We identify sufficient statistics for the test loss of such a network, and tracking these over training reveals that grokking arises in this setting when the network first attempts to fit a kernel regression solution with its initial features, followed by late-time feature learning where a generalizing solution is identified after train loss is already low. We provide an asymptotic theoretical description of the grokking dynamics in this model using dynamical mean field theory (DMFT) for high dimensional data. We find that the key determinants of grokking are the rate of feature learning -- which can be controlled precisely by parameters that scale the network output -- and the alignment of the initial features with the target function y(x). We argue this delayed generalization arises when (1) the top eigenvectors of the initial neural tangent kernel and the task labels y(x) are misaligned, but (2) the dataset size is large enough so that it is possible for the network to generalize eventually, but not so large that train loss perfectly tracks test loss at all epochs, and (3) the network begins training in the lazy regime so does not learn features immediately. We conclude with evidence that this transition from lazy (linear model) to rich training (feature learning) can control grokking in more general settings, like on MNIST, one-layer Transformers, and student-teacher networks.

All current formulations of thermodynamics invoke some form of coarse-graining or ensembles as the supposed link between their own laws and the microscopic laws of motion. They deal only with ensemble-averages, expectation values, macroscopic limits, infinite heat baths, etc., not with the details of physical variables of individual microscopic systems. They are consistent with the laws of motion for finite systems only in certain approximations, which improve with increasing scale, given various assumptions about initial conditions which are neither specified precisely nor even thought to hold exactly in nature. Here I propose a new formulation of the zeroth, first and second laws, improving upon the axiomatic approach to thermodynamics (Carath\'eodory, 1909; Lieb & Yngvason, 1999), via the principles of the recently proposed constructor theory. Specifically, I provide a non-approximative, scale-independent formulation of 'adiabatic accessibility'; this in turn provides a non-approximative, scale-independent distinction between work and heat and reveals an unexpected connection between information theory and the first law of thermodynamics (not just the second). It also achieves the long-sought unification of the axiomatic approach with Kelvin's.

Embodied AI agents require a fine-grained understanding of the physical world mediated through visual and language inputs. Such capabilities are difficult to learn solely from task-specific data. This has led to the emergence of pre-trained vision-language models as a tool for transferring representations learned from internet-scale data to downstream tasks and new domains. However, commonly used contrastively trained representations such as in CLIP have been shown to fail at enabling embodied agents to gain a sufficiently fine-grained scene understanding -- a capability vital for control. To address this shortcoming, we consider representations from pre-trained text-to-image diffusion models, which are explicitly optimized to generate images from text prompts and as such, contain text-conditioned representations that reflect highly fine-grained visuo-spatial information. Using pre-trained text-to-image diffusion models, we construct Stable Control Representations which allow learning downstream control policies that generalize to complex, open-ended environments. We show that policies learned using Stable Control Representations are competitive with state-of-the-art representation learning approaches across a broad range of simulated control settings, encompassing challenging manipulation and navigation tasks. Most notably, we show that Stable Control Representations enable learning policies that exhibit state-of-the-art performance on OVMM, a difficult open-vocabulary navigation benchmark.

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.

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well understood and ubiquitous in engineering applications. However, it is notoriously difficult to integrate them into machine learning approaches due to their heterogeneity with respect to size and orientation. In this work, we introduce an effective theory to model particle-boundary interactions, which leads to our new Boundary Graph Neural Networks (BGNNs) that dynamically modify graph structures to obey boundary conditions. The new BGNNs are tested on complex 3D granular flow processes of hoppers, rotating drums and mixers, which are all standard components of modern industrial machinery but still have complicated geometry. BGNNs are evaluated in terms of computational efficiency as well as prediction accuracy of particle flows and mixing entropies. BGNNs are able to accurately reproduce 3D granular flows within simulation uncertainties over hundreds of thousands of simulation timesteps. Most notably, in our experiments, particles stay within the geometric objects without using handcrafted conditions or restrictions.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

From a first-principles perspective, it may seem odd that the strongest results in foundation model fine-tuning (FT) are achieved via a relatively complex, two-stage training procedure. Specifically, one first trains a reward model (RM) on some dataset (e.g. human preferences) before using it to provide online feedback as part of a downstream reinforcement learning (RL) procedure, rather than directly optimizing the policy parameters on the dataset via offline maximum likelihood estimation. In fact, from an information-theoretic perspective, we can only lose information via passing through a reward model and cannot create any new information via on-policy sampling. To explain this discrepancy, we scrutinize several hypotheses on the value of RL in FT through both theoretical and empirical lenses. Of the hypotheses considered, we find the most support for the explanation that on problems with a generation-verification gap, the combination of the ease of learning the relatively simple RM (verifier) from the preference data, coupled with the ability of the downstream RL procedure to then filter its search space to the subset of policies (generators) that are optimal for relatively simple verifiers is what leads to the superior performance of online FT.

We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.

We introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F\"ollmer sampler. We demonstrate the efficacy of ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like NUTS. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable. Finally, we showcase its application in the context of Bayesian inversion problems within the geophysical sciences.

During 2023, two interesting results were proven about the limit behavior of game dynamics: First, it was shown that there is a game for which no dynamics converges to the Nash equilibria. Second, it was shown that the sink equilibria of a game adequately capture the limit behavior of natural game dynamics. These two results have created a need and opportunity to articulate a principled computational theory of the meaning of the game that is based on game dynamics. Given any game in normal form, and any prior distribution of play, we study the problem of computing the asymptotic behavior of a class of natural dynamics called the noisy replicator dynamics as a limit distribution over the sink equilibria of the game. When the prior distribution has pure strategy support, we prove this distribution can be computed efficiently, in near-linear time to the size of the best-response graph. When the distribution can be sampled -- for example, if it is the uniform distribution over all mixed strategy profiles -- we show through experiments that the limit distribution of reasonably large games can be estimated quite accurately through sampling and simulation.

Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as geometric graphs, i.e., graphs with nodes positioned in the Euclidean space given an arbitrarily chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as Galilean invariance. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate frames per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate frames allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate that the proposed approach comfortably outperforms the recent state-of-the-art.

The proliferation of generative models, combined with pretraining on web-scale data, raises a timely question: what happens when these models are trained on their own generated outputs? Recent investigations into model-data feedback loops proposed that such loops would lead to a phenomenon termed model collapse, under which performance progressively degrades with each model-data feedback iteration until fitted models become useless. However, those studies largely assumed that new data replace old data over time, where an arguably more realistic assumption is that data accumulate over time. In this paper, we ask: what effect does accumulating data have on model collapse? We empirically study this question by pretraining sequences of language models on text corpora. We confirm that replacing the original real data by each generation's synthetic data does indeed tend towards model collapse, then demonstrate that accumulating the successive generations of synthetic data alongside the original real data avoids model collapse; these results hold across a range of model sizes, architectures, and hyperparameters. We obtain similar results for deep generative models on other types of real data: diffusion models for molecule conformation generation and variational autoencoders for image generation. To understand why accumulating data can avoid model collapse, we use an analytically tractable framework introduced by prior work in which a sequence of linear models are fit to the previous models' outputs. Previous work used this framework to show that if data are replaced, the test error increases with the number of model-fitting iterations; we extend this argument to prove that if data instead accumulate, the test error has a finite upper bound independent of the number of iterations, meaning model collapse no longer occurs.

Incorporating a temporal dimension into pretrained image diffusion models for video generation is a prevalent approach. However, this method is computationally demanding and necessitates large-scale video datasets. More critically, the heterogeneity between image and video datasets often results in catastrophic forgetting of the image expertise. Recent attempts to directly extract video snippets from image diffusion models have somewhat mitigated these problems. Nevertheless, these methods can only generate brief video clips with simple movements and fail to capture fine-grained motion or non-grid deformation. In this paper, we propose a novel Zero-Shot video Sampling algorithm, denoted as ZS^2, capable of directly sampling high-quality video clips from existing image synthesis methods, such as Stable Diffusion, without any training or optimization. Specifically, ZS^2 utilizes the dependency noise model and temporal momentum attention to ensure content consistency and animation coherence, respectively. This ability enables it to excel in related tasks, such as conditional and context-specialized video generation and instruction-guided video editing. Experimental results demonstrate that ZS^2 achieves state-of-the-art performance in zero-shot video generation, occasionally outperforming recent supervised methods. Homepage: https://densechen.github.io/zss/.

Fine-tuning large language models (LLMs) for downstream tasks can greatly improve model quality, however serving many different fine-tuned LLMs concurrently for users in multi-tenant environments is challenging. Dedicating GPU memory for each model is prohibitively expensive and naively swapping large model weights in and out of GPU memory is slow. Our key insight is that fine-tuned models can be quickly swapped in and out of GPU memory by extracting and compressing the delta between each model and its pre-trained base model. We propose DeltaZip, an LLM serving system that efficiently serves multiple full-parameter fine-tuned models concurrently by aggressively compressing model deltas by a factor of 6times to 8times while maintaining high model quality. DeltaZip increases serving throughput by 1.5times to 3times and improves SLO attainment compared to a vanilla HuggingFace serving system.

Prior studies on the emergence in large models have primarily focused on how the functional capabilities of large language models (LLMs) scale with model size. Our research, however, transcends this traditional paradigm, aiming to deepen our understanding of the emergence within LLMs by placing a special emphasis not just on the model size but more significantly on the complex behavior of neuron interactions during the training process. By introducing the concepts of "self-organization" and "multifractal analysis," we explore how neuron interactions dynamically evolve during training, leading to "emergence," mirroring the phenomenon in natural systems where simple micro-level interactions give rise to complex macro-level behaviors. To quantitatively analyze the continuously evolving interactions among neurons in large models during training, we propose the Neuron-based Multifractal Analysis (NeuroMFA). Utilizing NeuroMFA, we conduct a comprehensive examination of the emergent behavior in LLMs through the lens of both model size and training process, paving new avenues for research into the emergence in large models.

Connecting optimal transport and variational inference, we present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of the Controlled Monte Carlo Diffusion sampler (CMCD) for Bayesian computation, a score-based annealing technique that crucially adapts both forward and backward dynamics in a diffusion model. On the way, we clarify the relationship between the EM-algorithm and iterative proportional fitting (IPF) for Schr{\"o}dinger bridges, deriving as well a regularised objective that bypasses the iterative bottleneck of standard IPF-updates. Finally, we show that CMCD has a strong foundation in the Jarzinsky and Crooks identities from statistical physics, and that it convincingly outperforms competing approaches across a wide array of experiments.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.