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Mar 11

Training-free and Adaptive Sparse Attention for Efficient Long Video Generation

Generating high-fidelity long videos with Diffusion Transformers (DiTs) is often hindered by significant latency, primarily due to the computational demands of attention mechanisms. For instance, generating an 8-second 720p video (110K tokens) with HunyuanVideo takes about 600 PFLOPs, with around 500 PFLOPs consumed by attention computations. To address this issue, we propose AdaSpa, the first Dynamic Pattern and Online Precise Search sparse attention method. Firstly, to realize the Dynamic Pattern, we introduce a blockified pattern to efficiently capture the hierarchical sparsity inherent in DiTs. This is based on our observation that sparse characteristics of DiTs exhibit hierarchical and blockified structures between and within different modalities. This blockified approach significantly reduces the complexity of attention computation while maintaining high fidelity in the generated videos. Secondly, to enable Online Precise Search, we propose the Fused LSE-Cached Search with Head-adaptive Hierarchical Block Sparse Attention. This method is motivated by our finding that DiTs' sparse pattern and LSE vary w.r.t. inputs, layers, and heads, but remain invariant across denoising steps. By leveraging this invariance across denoising steps, it adapts to the dynamic nature of DiTs and allows for precise, real-time identification of sparse indices with minimal overhead. AdaSpa is implemented as an adaptive, plug-and-play solution and can be integrated seamlessly with existing DiTs, requiring neither additional fine-tuning nor a dataset-dependent profiling. Extensive experiments validate that AdaSpa delivers substantial acceleration across various models while preserving video quality, establishing itself as a robust and scalable approach to efficient video generation.

Quadratic Time-Frequency Analysis of Vibration Signals for Diagnosing Bearing Faults

Diagnosis of bearing faults is paramount to reducing maintenance costs and operational breakdowns. Bearing faults are primary contributors to machine vibrations, and analyzing their signal morphology offers insights into their health status. Unfortunately, existing approaches are optimized for controlled environments, neglecting realistic conditions such as time-varying rotational speeds and the vibration's non-stationary nature. This paper presents a fusion of time-frequency analysis and deep learning techniques to diagnose bearing faults under time-varying speeds and varying noise levels. First, we formulate the bearing fault-induced vibrations and discuss the link between their non-stationarity and the bearing's inherent and operational parameters. We also elucidate quadratic time-frequency distributions and validate their effectiveness in resolving distinctive dynamic patterns associated with different bearing faults. Based on this, we design a time-frequency convolutional neural network (TF-CNN) to diagnose various faults in rolling-element bearings. Our experimental findings undeniably demonstrate the superior performance of TF-CNN in comparison to recently developed techniques. They also assert its versatility in capturing fault-relevant non-stationary features that couple with speed changes and show its exceptional resilience to noise, consistently surpassing competing methods across various signal-to-noise ratios and performance metrics. Altogether, the TF-CNN achieves substantial accuracy improvements up to 15%, in severe noise conditions.

Token-Efficient Long Video Understanding for Multimodal LLMs

Recent advances in video-based multimodal large language models (Video-LLMs) have significantly improved video understanding by processing videos as sequences of image frames. However, many existing methods treat frames independently in the vision backbone, lacking explicit temporal modeling, which limits their ability to capture dynamic patterns and efficiently handle long videos. To address these limitations, we introduce STORM (Spatiotemporal TOken Reduction for Multimodal LLMs), a novel architecture incorporating a dedicated temporal encoder between the image encoder and the LLM. Our temporal encoder leverages the Mamba State Space Model to integrate temporal information into image tokens, generating enriched representations that preserve inter-frame dynamics across the entire video sequence. This enriched encoding not only enhances video reasoning capabilities but also enables effective token reduction strategies, including test-time sampling and training-based temporal and spatial pooling, substantially reducing computational demands on the LLM without sacrificing key temporal information. By integrating these techniques, our approach simultaneously reduces training and inference latency while improving performance, enabling efficient and robust video understanding over extended temporal contexts. Extensive evaluations show that STORM achieves state-of-the-art results across various long video understanding benchmarks (more than 5\% improvement on MLVU and LongVideoBench) while reducing the computation costs by up to 8times and the decoding latency by 2.4-2.9times for the fixed numbers of input frames. Project page is available at https://research.nvidia.com/labs/lpr/storm

Persistent-Transient Duality: A Multi-mechanism Approach for Modeling Human-Object Interaction

Humans are highly adaptable, swiftly switching between different modes to progressively handle different tasks, situations and contexts. In Human-object interaction (HOI) activities, these modes can be attributed to two mechanisms: (1) the large-scale consistent plan for the whole activity and (2) the small-scale children interactive actions that start and end along the timeline. While neuroscience and cognitive science have confirmed this multi-mechanism nature of human behavior, machine modeling approaches for human motion are trailing behind. While attempted to use gradually morphing structures (e.g., graph attention networks) to model the dynamic HOI patterns, they miss the expeditious and discrete mode-switching nature of the human motion. To bridge that gap, this work proposes to model two concurrent mechanisms that jointly control human motion: the Persistent process that runs continually on the global scale, and the Transient sub-processes that operate intermittently on the local context of the human while interacting with objects. These two mechanisms form an interactive Persistent-Transient Duality that synergistically governs the activity sequences. We model this conceptual duality by a parent-child neural network of Persistent and Transient channels with a dedicated neural module for dynamic mechanism switching. The framework is trialed on HOI motion forecasting. On two rich datasets and a wide variety of settings, the model consistently delivers superior performances, proving its suitability for the challenge.

Privacy-preserving Pedestrian Tracking using Distributed 3D LiDARs

The growing demand for intelligent environments unleashes an extraordinary cycle of privacy-aware applications that makes individuals' life more comfortable and safe. Examples of these applications include pedestrian tracking systems in large areas. Although the ubiquity of camera-based systems, they are not a preferable solution due to the vulnerability of leaking the privacy of pedestrians. In this paper, we introduce a novel privacy-preserving system for pedestrian tracking in smart environments using multiple distributed LiDARs of non-overlapping views. The system is designed to leverage LiDAR devices to track pedestrians in partially covered areas due to practical constraints, e.g., occlusion or cost. Therefore, the system uses the point cloud captured by different LiDARs to extract discriminative features that are used to train a metric learning model for pedestrian matching purposes. To boost the system's robustness, we leverage a probabilistic approach to model and adapt the dynamic mobility patterns of individuals and thus connect their sub-trajectories. We deployed the system in a large-scale testbed with 70 colorless LiDARs and conducted three different experiments. The evaluation result at the entrance hall confirms the system's ability to accurately track the pedestrians with a 0.98 F-measure even with zero-covered areas. This result highlights the promise of the proposed system as the next generation of privacy-preserving tracking means in smart environments.

Efficient Content-Based Sparse Attention with Routing Transformers

Self-attention has recently been adopted for a wide range of sequence modeling problems. Despite its effectiveness, self-attention suffers from quadratic compute and memory requirements with respect to sequence length. Successful approaches to reduce this complexity focused on attending to local sliding windows or a small set of locations independent of content. Our work proposes to learn dynamic sparse attention patterns that avoid allocating computation and memory to attend to content unrelated to the query of interest. This work builds upon two lines of research: it combines the modeling flexibility of prior work on content-based sparse attention with the efficiency gains from approaches based on local, temporal sparse attention. Our model, the Routing Transformer, endows self-attention with a sparse routing module based on online k-means while reducing the overall complexity of attention to Oleft(n^{1.5}dright) from Oleft(n^2dright) for sequence length n and hidden dimension d. We show that our model outperforms comparable sparse attention models on language modeling on Wikitext-103 (15.8 vs 18.3 perplexity) as well as on image generation on ImageNet-64 (3.43 vs 3.44 bits/dim) while using fewer self-attention layers. Additionally, we set a new state-of-the-art on the newly released PG-19 data-set, obtaining a test perplexity of 33.2 with a 22 layer Routing Transformer model trained on sequences of length 8192.

Transformers Meet ACT-R: Repeat-Aware and Sequential Listening Session Recommendation

Music streaming services often leverage sequential recommender systems to predict the best music to showcase to users based on past sequences of listening sessions. Nonetheless, most sequential recommendation methods ignore or insufficiently account for repetitive behaviors. This is a crucial limitation for music recommendation, as repeatedly listening to the same song over time is a common phenomenon that can even change the way users perceive this song. In this paper, we introduce PISA (Psychology-Informed Session embedding using ACT-R), a session-level sequential recommender system that overcomes this limitation. PISA employs a Transformer architecture learning embedding representations of listening sessions and users using attention mechanisms inspired by Anderson's ACT-R (Adaptive Control of Thought-Rational), a cognitive architecture modeling human information access and memory dynamics. This approach enables us to capture dynamic and repetitive patterns from user behaviors, allowing us to effectively predict the songs they will listen to in subsequent sessions, whether they are repeated or new ones. We demonstrate the empirical relevance of PISA using both publicly available listening data from Last.fm and proprietary data from Deezer, a global music streaming service, confirming the critical importance of repetition modeling for sequential listening session recommendation. Along with this paper, we publicly release our proprietary dataset to foster future research in this field, as well as the source code of PISA to facilitate its future use.

Duo-LLM: A Framework for Studying Adaptive Computation in Large Language Models

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

Influence Scores at Scale for Efficient Language Data Sampling

Modern ML systems ingest data aggregated from diverse sources, such as synthetic, human-annotated, and live customer traffic. Understanding which examples are important to the performance of a learning algorithm is crucial for efficient model training. Recently, a growing body of literature has given rise to various "influence scores," which use training artifacts such as model confidence or checkpointed gradients to identify important subsets of data. However, these methods have primarily been developed in computer vision settings, and it remains unclear how well they generalize to language-based tasks using pretrained models. In this paper, we explore the applicability of influence scores in language classification tasks. We evaluate a diverse subset of these scores on the SNLI dataset by quantifying accuracy changes in response to pruning training data through random and influence-score-based sampling. We then stress-test one of the scores -- "variance of gradients" (VoG) from Agarwal et al. (2022) -- in an NLU model stack that was exposed to dynamic user speech patterns in a voice assistant type of setting. Our experiments demonstrate that in many cases, encoder-based language models can be finetuned on roughly 50% of the original data without degradation in performance metrics. Along the way, we summarize lessons learned from applying out-of-the-box implementations of influence scores, quantify the effects of noisy and class-imbalanced data, and offer recommendations on score-based sampling for better accuracy and training efficiency.

StyleTalk: One-shot Talking Head Generation with Controllable Speaking Styles

Different people speak with diverse personalized speaking styles. Although existing one-shot talking head methods have made significant progress in lip sync, natural facial expressions, and stable head motions, they still cannot generate diverse speaking styles in the final talking head videos. To tackle this problem, we propose a one-shot style-controllable talking face generation framework. In a nutshell, we aim to attain a speaking style from an arbitrary reference speaking video and then drive the one-shot portrait to speak with the reference speaking style and another piece of audio. Specifically, we first develop a style encoder to extract dynamic facial motion patterns of a style reference video and then encode them into a style code. Afterward, we introduce a style-controllable decoder to synthesize stylized facial animations from the speech content and style code. In order to integrate the reference speaking style into generated videos, we design a style-aware adaptive transformer, which enables the encoded style code to adjust the weights of the feed-forward layers accordingly. Thanks to the style-aware adaptation mechanism, the reference speaking style can be better embedded into synthesized videos during decoding. Extensive experiments demonstrate that our method is capable of generating talking head videos with diverse speaking styles from only one portrait image and an audio clip while achieving authentic visual effects. Project Page: https://github.com/FuxiVirtualHuman/styletalk.

Integrating Pattern- and Fact-based Fake News Detection via Model Preference Learning

To defend against fake news, researchers have developed various methods based on texts. These methods can be grouped as 1) pattern-based methods, which focus on shared patterns among fake news posts rather than the claim itself; and 2) fact-based methods, which retrieve from external sources to verify the claim's veracity without considering patterns. The two groups of methods, which have different preferences of textual clues, actually play complementary roles in detecting fake news. However, few works consider their integration. In this paper, we study the problem of integrating pattern- and fact-based models into one framework via modeling their preference differences, i.e., making the pattern- and fact-based models focus on respective preferred parts in a post and mitigate interference from non-preferred parts as possible. To this end, we build a Preference-aware Fake News Detection Framework (Pref-FEND), which learns the respective preferences of pattern- and fact-based models for joint detection. We first design a heterogeneous dynamic graph convolutional network to generate the respective preference maps, and then use these maps to guide the joint learning of pattern- and fact-based models for final prediction. Experiments on two real-world datasets show that Pref-FEND effectively captures model preferences and improves the performance of models based on patterns, facts, or both.

MInference 1.0: Accelerating Pre-filling for Long-Context LLMs via Dynamic Sparse Attention

The computational challenges of Large Language Model (LLM) inference remain a significant barrier to their widespread deployment, especially as prompt lengths continue to increase. Due to the quadratic complexity of the attention computation, it takes 30 minutes for an 8B LLM to process a prompt of 1M tokens (i.e., the pre-filling stage) on a single A100 GPU. Existing methods for speeding up prefilling often fail to maintain acceptable accuracy or efficiency when applied to long-context LLMs. To address this gap, we introduce MInference (Milliontokens Inference), a sparse calculation method designed to accelerate pre-filling of long-sequence processing. Specifically, we identify three unique patterns in long-context attention matrices-the A-shape, Vertical-Slash, and Block-Sparsethat can be leveraged for efficient sparse computation on GPUs. We determine the optimal pattern for each attention head offline and dynamically build sparse indices based on the assigned pattern during inference. With the pattern and sparse indices, we perform efficient sparse attention calculations via our optimized GPU kernels to significantly reduce the latency in the pre-filling stage of long-context LLMs. Our proposed technique can be directly applied to existing LLMs without any modifications to the pre-training setup or additional fine-tuning. By evaluating on a wide range of downstream tasks, including InfiniteBench, RULER, PG-19, and Needle In A Haystack, and models including LLaMA-3-1M, GLM4-1M, Yi-200K, Phi-3-128K, and Qwen2-128K, we demonstrate that MInference effectively reduces inference latency by up to 10x for pre-filling on an A100, while maintaining accuracy. Our code is available at https://aka.ms/MInference.

DAViD: Modeling Dynamic Affordance of 3D Objects using Pre-trained Video Diffusion Models

Understanding the ability of humans to use objects is crucial for AI to improve daily life. Existing studies for learning such ability focus on human-object patterns (e.g., contact, spatial relation, orientation) in static situations, and learning Human-Object Interaction (HOI) patterns over time (i.e., movement of human and object) is relatively less explored. In this paper, we introduce a novel type of affordance named Dynamic Affordance. For a given input 3D object mesh, we learn dynamic affordance which models the distribution of both (1) human motion and (2) human-guided object pose during interactions. As a core idea, we present a method to learn the 3D dynamic affordance from synthetically generated 2D videos, leveraging a pre-trained video diffusion model. Specifically, we propose a pipeline that first generates 2D HOI videos from the 3D object and then lifts them into 3D to generate 4D HOI samples. Once we generate diverse 4D HOI samples on various target objects, we train our DAViD, where we present a method based on the Low-Rank Adaptation (LoRA) module for pre-trained human motion diffusion model (MDM) and an object pose diffusion model with human pose guidance. Our motion diffusion model is extended for multi-object interactions, demonstrating the advantage of our pipeline with LoRA for combining the concepts of object usage. Through extensive experiments, we demonstrate our DAViD outperforms the baselines in generating human motion with HOIs.

GLAD: Content-aware Dynamic Graphs For Log Anomaly Detection

Logs play a crucial role in system monitoring and debugging by recording valuable system information, including events and states. Although various methods have been proposed to detect anomalies in log sequences, they often overlook the significance of considering relations among system components, such as services and users, which can be identified from log contents. Understanding these relations is vital for detecting anomalies and their underlying causes. To address this issue, we introduce GLAD, a Graph-based Log Anomaly Detection framework designed to detect relational anomalies in system logs. GLAD incorporates log semantics, relational patterns, and sequential patterns into a unified framework for anomaly detection. Specifically, GLAD first introduces a field extraction module that utilizes prompt-based few-shot learning to identify essential fields from log contents. Then GLAD constructs dynamic log graphs for sliding windows by interconnecting extracted fields and log events parsed from the log parser. These graphs represent events and fields as nodes and their relations as edges. Subsequently, GLAD utilizes a temporal-attentive graph edge anomaly detection model for identifying anomalous relations in these dynamic log graphs. This model employs a Graph Neural Network (GNN)-based encoder enhanced with transformers to capture content, structural and temporal features. We evaluate our proposed method on three datasets, and the results demonstrate the effectiveness of GLAD in detecting anomalies indicated by varying relational patterns.

DyGait: Exploiting Dynamic Representations for High-performance Gait Recognition

Gait recognition is a biometric technology that recognizes the identity of humans through their walking patterns. Compared with other biometric technologies, gait recognition is more difficult to disguise and can be applied to the condition of long-distance without the cooperation of subjects. Thus, it has unique potential and wide application for crime prevention and social security. At present, most gait recognition methods directly extract features from the video frames to establish representations. However, these architectures learn representations from different features equally but do not pay enough attention to dynamic features, which refers to a representation of dynamic parts of silhouettes over time (e.g. legs). Since dynamic parts of the human body are more informative than other parts (e.g. bags) during walking, in this paper, we propose a novel and high-performance framework named DyGait. This is the first framework on gait recognition that is designed to focus on the extraction of dynamic features. Specifically, to take full advantage of the dynamic information, we propose a Dynamic Augmentation Module (DAM), which can automatically establish spatial-temporal feature representations of the dynamic parts of the human body. The experimental results show that our DyGait network outperforms other state-of-the-art gait recognition methods. It achieves an average Rank-1 accuracy of 71.4% on the GREW dataset, 66.3% on the Gait3D dataset, 98.4% on the CASIA-B dataset and 98.3% on the OU-MVLP dataset.

Learning to Generate Research Idea with Dynamic Control

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.

Todyformer: Towards Holistic Dynamic Graph Transformers with Structure-Aware Tokenization

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered by issues that constrain their performance, such as over-squashing and over-smoothing. Meanwhile, Transformers have demonstrated exceptional computational capacity to effectively address challenges related to long-range dependencies. Consequently, we introduce Todyformer-a novel Transformer-based neural network tailored for dynamic graphs. It unifies the local encoding capacity of Message-Passing Neural Networks (MPNNs) with the global encoding of Transformers through i) a novel patchifying paradigm for dynamic graphs to improve over-squashing, ii) a structure-aware parametric tokenization strategy leveraging MPNNs, iii) a Transformer with temporal positional-encoding to capture long-range dependencies, and iv) an encoding architecture that alternates between local and global contextualization, mitigating over-smoothing in MPNNs. Experimental evaluations on public benchmark datasets demonstrate that Todyformer consistently outperforms the state-of-the-art methods for downstream tasks. Furthermore, we illustrate the underlying aspects of the proposed model in effectively capturing extensive temporal dependencies in dynamic graphs.

Mamba-FSCIL: Dynamic Adaptation with Selective State Space Model for Few-Shot Class-Incremental Learning

Few-shot class-incremental learning (FSCIL) confronts the challenge of integrating new classes into a model with minimal training samples while preserving the knowledge of previously learned classes. Traditional methods widely adopt static adaptation relying on a fixed parameter space to learn from data that arrive sequentially, prone to overfitting to the current session. Existing dynamic strategies require the expansion of the parameter space continually, leading to increased complexity. To address these challenges, we integrate the recently proposed selective state space model (SSM) into FSCIL. Concretely, we propose a dual selective SSM projector that dynamically adjusts the projection parameters based on the intermediate features for dynamic adaptation. The dual design enables the model to maintain the robust features of base classes, while adaptively learning distinctive feature shifts for novel classes. Additionally, we develop a class-sensitive selective scan mechanism to guide dynamic adaptation. It minimizes the disruption to base-class representations caused by training on novel data, and meanwhile, forces the selective scan to perform in distinct patterns between base and novel classes. Experiments on miniImageNet, CUB-200, and CIFAR-100 demonstrate that our framework outperforms the existing state-of-the-art methods. The code is available at https://github.com/xiaojieli0903/Mamba-FSCIL.

The Information Pathways Hypothesis: Transformers are Dynamic Self-Ensembles

Transformers use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

Towards Generalisable Video Moment Retrieval: Visual-Dynamic Injection to Image-Text Pre-Training

The correlation between the vision and text is essential for video moment retrieval (VMR), however, existing methods heavily rely on separate pre-training feature extractors for visual and textual understanding. Without sufficient temporal boundary annotations, it is non-trivial to learn universal video-text alignments. In this work, we explore multi-modal correlations derived from large-scale image-text data to facilitate generalisable VMR. To address the limitations of image-text pre-training models on capturing the video changes, we propose a generic method, referred to as Visual-Dynamic Injection (VDI), to empower the model's understanding of video moments. Whilst existing VMR methods are focusing on building temporal-aware video features, being aware of the text descriptions about the temporal changes is also critical but originally overlooked in pre-training by matching static images with sentences. Therefore, we extract visual context and spatial dynamic information from video frames and explicitly enforce their alignments with the phrases describing video changes (e.g. verb). By doing so, the potentially relevant visual and motion patterns in videos are encoded in the corresponding text embeddings (injected) so to enable more accurate video-text alignments. We conduct extensive experiments on two VMR benchmark datasets (Charades-STA and ActivityNet-Captions) and achieve state-of-the-art performances. Especially, VDI yields notable advantages when being tested on the out-of-distribution splits where the testing samples involve novel scenes and vocabulary.

Towards Enhancing Time Series Contrastive Learning: A Dynamic Bad Pair Mining Approach

Not all positive pairs are beneficial to time series contrastive learning. In this paper, we study two types of bad positive pairs that can impair the quality of time series representation learned through contrastive learning: the noisy positive pair and the faulty positive pair. We observe that, with the presence of noisy positive pairs, the model tends to simply learn the pattern of noise (Noisy Alignment). Meanwhile, when faulty positive pairs arise, the model wastes considerable amount of effort aligning non-representative patterns (Faulty Alignment). To address this problem, we propose a Dynamic Bad Pair Mining (DBPM) algorithm, which reliably identifies and suppresses bad positive pairs in time series contrastive learning. Specifically, DBPM utilizes a memory module to dynamically track the training behavior of each positive pair along training process. This allows us to identify potential bad positive pairs at each epoch based on their historical training behaviors. The identified bad pairs are subsequently down-weighted through a transformation module, thereby mitigating their negative impact on the representation learning process. DBPM is a simple algorithm designed as a lightweight plug-in without learnable parameters to enhance the performance of existing state-of-the-art methods. Through extensive experiments conducted on four large-scale, real-world time series datasets, we demonstrate DBPM's efficacy in mitigating the adverse effects of bad positive pairs.

CODESYNC: Synchronizing Large Language Models with Dynamic Code Evolution at Scale

Large Language Models (LLMs) have exhibited exceptional performance in software engineering yet face challenges in adapting to continually evolving code knowledge, particularly regarding the frequent updates of third-party library APIs. This limitation, stemming from static pre-training datasets, often results in non-executable code or implementations with suboptimal safety and efficiency. To this end, this paper introduces CODESYNC, a data engine for identifying outdated code patterns and collecting real-time code knowledge updates from Python third-party libraries. Building upon CODESYNC, we develop CODESYNCBENCH, a comprehensive benchmark for assessing LLMs' ability to stay synchronized with code evolution, which covers real-world updates for 220 APIs from six Python libraries. Our benchmark offers 3,300 test cases across three evaluation tasks and an update-aware instruction tuning dataset consisting of 2,200 training samples. Extensive experiments on 14 state-of-the-art LLMs reveal that they struggle with dynamic code evolution, even with the support of advanced knowledge updating methods (e.g., DPO, ORPO, and SimPO). We believe that our benchmark can offer a strong foundation for the development of more effective methods for real-time code knowledge updating in the future. The experimental code and dataset are publicly available at: https://github.com/Lucky-voyage/Code-Sync.

Accelerating Multimodal Large Language Models via Dynamic Visual-Token Exit and the Empirical Findings

The excessive use of visual tokens in existing Multimoal Large Language Models (MLLMs) often exhibits obvious redundancy and brings in prohibitively expensive computation. To gain insights into this problem, we first conduct extensive empirical studies on the attention behaviors of MLLMs, and summarize three main inference stages in MLLMs: (i) Early fusion between tokens is first accomplished quickly. (ii) Intra-modality modeling then comes to play. (iii) Multimodal reasoning} resumes and lasts until the end of inference. In particular, we reveal that visual tokens will stop contributing to reasoning when the text tokens receive enough image information, yielding obvious visual redundancy. Based on these generalized observations, we propose a simple yet effective method to improve the efficiency of MLLMs, termed dynamic visual-token exit (DyVTE). DyVTE uses lightweight hyper-networks to perceive the text token status and decide the removal of all visual tokens after a certain layer, thereby addressing the observed visual redundancy. To validate VTE, we apply it to a set of MLLMs, including LLaVA, VILA, Eagle and InternVL, and conduct extensive experiments on a bunch of benchmarks. The experiment results not only show the effectiveness of our VTE in improving MLLMs' efficiency, but also yield the general modeling patterns of MLLMs, well facilitating the in-depth understanding of MLLMs. Our code is anonymously released at https://github.com/DoubtedSteam/DyVTE.

PRES: Toward Scalable Memory-Based Dynamic Graph Neural Networks

Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4x larger temporal batch (3.4x speed-up) during MDGNN training.

SC-GS: Sparse-Controlled Gaussian Splatting for Editable Dynamic Scenes

Novel view synthesis for dynamic scenes is still a challenging problem in computer vision and graphics. Recently, Gaussian splatting has emerged as a robust technique to represent static scenes and enable high-quality and real-time novel view synthesis. Building upon this technique, we propose a new representation that explicitly decomposes the motion and appearance of dynamic scenes into sparse control points and dense Gaussians, respectively. Our key idea is to use sparse control points, significantly fewer in number than the Gaussians, to learn compact 6 DoF transformation bases, which can be locally interpolated through learned interpolation weights to yield the motion field of 3D Gaussians. We employ a deformation MLP to predict time-varying 6 DoF transformations for each control point, which reduces learning complexities, enhances learning abilities, and facilitates obtaining temporal and spatial coherent motion patterns. Then, we jointly learn the 3D Gaussians, the canonical space locations of control points, and the deformation MLP to reconstruct the appearance, geometry, and dynamics of 3D scenes. During learning, the location and number of control points are adaptively adjusted to accommodate varying motion complexities in different regions, and an ARAP loss following the principle of as rigid as possible is developed to enforce spatial continuity and local rigidity of learned motions. Finally, thanks to the explicit sparse motion representation and its decomposition from appearance, our method can enable user-controlled motion editing while retaining high-fidelity appearances. Extensive experiments demonstrate that our approach outperforms existing approaches on novel view synthesis with a high rendering speed and enables novel appearance-preserved motion editing applications. Project page: https://yihua7.github.io/SC-GS-web/

Neural Foundations of Mental Simulation: Future Prediction of Latent Representations on Dynamic Scenes

Humans and animals have a rich and flexible understanding of the physical world, which enables them to infer the underlying dynamical trajectories of objects and events, plausible future states, and use that to plan and anticipate the consequences of actions. However, the neural mechanisms underlying these computations are unclear. We combine a goal-driven modeling approach with dense neurophysiological data and high-throughput human behavioral readouts to directly impinge on this question. Specifically, we construct and evaluate several classes of sensory-cognitive networks to predict the future state of rich, ethologically-relevant environments, ranging from self-supervised end-to-end models with pixel-wise or object-centric objectives, to models that future predict in the latent space of purely static image-based or dynamic video-based pretrained foundation models. We find strong differentiation across these model classes in their ability to predict neural and behavioral data both within and across diverse environments. In particular, we find that neural responses are currently best predicted by models trained to predict the future state of their environment in the latent space of pretrained foundation models optimized for dynamic scenes in a self-supervised manner. Notably, models that future predict in the latent space of video foundation models that are optimized to support a diverse range of sensorimotor tasks, reasonably match both human behavioral error patterns and neural dynamics across all environmental scenarios that we were able to test. Overall, these findings suggest that the neural mechanisms and behaviors of primate mental simulation are thus far most consistent with being optimized to future predict on dynamic, reusable visual representations that are useful for embodied AI more generally.

SCBench: A KV Cache-Centric Analysis of Long-Context Methods

Long-context LLMs have enabled numerous downstream applications but also introduced significant challenges related to computational and memory efficiency. To address these challenges, optimizations for long-context inference have been developed, centered around the KV cache. However, existing benchmarks often evaluate in single-request, neglecting the full lifecycle of the KV cache in real-world use. This oversight is particularly critical, as KV cache reuse has become widely adopted in LLMs inference frameworks, such as vLLM and SGLang, as well as by LLM providers, including OpenAI, Microsoft, Google, and Anthropic. To address this gap, we introduce SCBench(SharedContextBench), a comprehensive benchmark for evaluating long-context methods from a KV cachecentric perspective: 1) KV cache generation, 2) KV cache compression, 3) KV cache retrieval, 4) KV cache loading. Specifically, SCBench uses test examples with shared context, ranging 12 tasks with two shared context modes, covering four categories of long-context capabilities: string retrieval, semantic retrieval, global information, and multi-task. With it, we provide an extensive KV cache-centric analysis of eight categories long-context solutions, including Gated Linear RNNs, Mamba-Attention hybrids, and efficient methods such as sparse attention, KV cache dropping, quantization, retrieval, loading, and prompt compression. The evaluation is conducted on 8 long-context LLMs. Our findings show that sub-O(n) memory methods suffer in multi-turn scenarios, while sparse encoding with O(n) memory and sub-O(n^2) pre-filling computation perform robustly. Dynamic sparsity yields more expressive KV caches than static patterns, and layer-level sparsity in hybrid architectures reduces memory usage with strong performance. Additionally, we identify attention distribution shift issues in long-generation scenarios. https://aka.ms/SCBench.

LongVQ: Long Sequence Modeling with Vector Quantization on Structured Memory

Transformer models have been successful in various sequence processing tasks, but the self-attention mechanism's computational cost limits its practicality for long sequences. Although there are existing attention variants that improve computational efficiency, they have a limited ability to abstract global information effectively based on their hand-crafted mixing strategies. On the other hand, state-space models (SSMs) are tailored for long sequences but cannot capture complicated local information. Therefore, the combination of them as a unified token mixer is a trend in recent long-sequence models. However, the linearized attention degrades performance significantly even when equipped with SSMs. To address the issue, we propose a new method called LongVQ. LongVQ uses the vector quantization (VQ) technique to compress the global abstraction as a length-fixed codebook, enabling the linear-time computation of the attention matrix. This technique effectively maintains dynamic global and local patterns, which helps to complement the lack of long-range dependency issues. Our experiments on the Long Range Arena benchmark, autoregressive language modeling, and image and speech classification demonstrate the effectiveness of LongVQ. Our model achieves significant improvements over other sequence models, including variants of Transformers, Convolutions, and recent State Space Models.

LoRec: Large Language Model for Robust Sequential Recommendation against Poisoning Attacks

Sequential recommender systems stand out for their ability to capture users' dynamic interests and the patterns of item-to-item transitions. However, the inherent openness of sequential recommender systems renders them vulnerable to poisoning attacks, where fraudulent users are injected into the training data to manipulate learned patterns. Traditional defense strategies predominantly depend on predefined assumptions or rules extracted from specific known attacks, limiting their generalizability to unknown attack types. To solve the above problems, considering the rich open-world knowledge encapsulated in Large Language Models (LLMs), our research initially focuses on the capabilities of LLMs in the detection of unknown fraudulent activities within recommender systems, a strategy we denote as LLM4Dec. Empirical evaluations demonstrate the substantial capability of LLMs in identifying unknown fraudsters, leveraging their expansive, open-world knowledge. Building upon this, we propose the integration of LLMs into defense strategies to extend their effectiveness beyond the confines of known attacks. We propose LoRec, an advanced framework that employs LLM-Enhanced Calibration to strengthen the robustness of sequential recommender systems against poisoning attacks. LoRec integrates an LLM-enhanced CalibraTor (LCT) that refines the training process of sequential recommender systems with knowledge derived from LLMs, applying a user-wise reweighting to diminish the impact of fraudsters injected by attacks. By incorporating LLMs' open-world knowledge, the LCT effectively converts the limited, specific priors or rules into a more general pattern of fraudsters, offering improved defenses against poisoning attacks. Our comprehensive experiments validate that LoRec, as a general framework, significantly strengthens the robustness of sequential recommender systems.

SEE: See Everything Every Time -- Adaptive Brightness Adjustment for Broad Light Range Images via Events

Event cameras, with a high dynamic range exceeding 120dB, significantly outperform traditional embedded cameras, robustly recording detailed changing information under various lighting conditions, including both low- and high-light situations. However, recent research on utilizing event data has primarily focused on low-light image enhancement, neglecting image enhancement and brightness adjustment across a broader range of lighting conditions, such as normal or high illumination. Based on this, we propose a novel research question: how to employ events to enhance and adaptively adjust the brightness of images captured under broad lighting conditions? To investigate this question, we first collected a new dataset, SEE-600K, consisting of 610,126 images and corresponding events across 202 scenarios, each featuring an average of four lighting conditions with over a 1000-fold variation in illumination. Subsequently, we propose a framework that effectively utilizes events to smoothly adjust image brightness through the use of prompts. Our framework captures color through sensor patterns, uses cross-attention to model events as a brightness dictionary, and adjusts the image's dynamic range to form a broad light-range representation (BLR), which is then decoded at the pixel level based on the brightness prompt. Experimental results demonstrate that our method not only performs well on the low-light enhancement dataset but also shows robust performance on broader light-range image enhancement using the SEE-600K dataset. Additionally, our approach enables pixel-level brightness adjustment, providing flexibility for post-processing and inspiring more imaging applications. The dataset and source code are publicly available at:https://github.com/yunfanLu/SEE.

Value Function is All You Need: A Unified Learning Framework for Ride Hailing Platforms

Large ride-hailing platforms, such as DiDi, Uber and Lyft, connect tens of thousands of vehicles in a city to millions of ride demands throughout the day, providing great promises for improving transportation efficiency through the tasks of order dispatching and vehicle repositioning. Existing studies, however, usually consider the two tasks in simplified settings that hardly address the complex interactions between the two, the real-time fluctuations between supply and demand, and the necessary coordinations due to the large-scale nature of the problem. In this paper we propose a unified value-based dynamic learning framework (V1D3) for tackling both tasks. At the center of the framework is a globally shared value function that is updated continuously using online experiences generated from real-time platform transactions. To improve the sample-efficiency and the robustness, we further propose a novel periodic ensemble method combining the fast online learning with a large-scale offline training scheme that leverages the abundant historical driver trajectory data. This allows the proposed framework to adapt quickly to the highly dynamic environment, to generalize robustly to recurrent patterns and to drive implicit coordinations among the population of managed vehicles. Extensive experiments based on real-world datasets show considerably improvements over other recently proposed methods on both tasks. Particularly, V1D3 outperforms the first prize winners of both dispatching and repositioning tracks in the KDD Cup 2020 RL competition, achieving state-of-the-art results on improving both total driver income and user experience related metrics.

Algorithm-hardware Co-design for Deformable Convolution

FPGAs provide a flexible and efficient platform to accelerate rapidly-changing algorithms for computer vision. The majority of existing work focuses on accelerating image classification, while other fundamental vision problems, including object detection and instance segmentation, have not been adequately addressed. Compared with image classification, detection problems are more sensitive to the spatial variance of objects, and therefore, require specialized convolutions to aggregate spatial information. To address this, recent work proposes dynamic deformable convolution to augment regular convolutions. Regular convolutions process a fixed grid of pixels across all the spatial locations in an image, while dynamic deformable convolutions may access arbitrary pixels in the image and the access pattern is input-dependent and varies per spatial location. These properties lead to inefficient memory accesses of inputs with existing hardware. In this work, we first investigate the overhead of the deformable convolution on embedded FPGA SoCs, and then show the accuracy-latency tradeoffs for a set of algorithm modifications including full versus depthwise, fixed-shape, and limited-range. These modifications benefit the energy efficiency for embedded devices in general as they reduce the compute complexity. We then build an efficient object detection network with modified deformable convolutions and quantize the network using state-of-the-art quantization methods. We implement a unified hardware engine on FPGA to support all the operations in the network. Preliminary experiments show that little accuracy is compromised and speedup can be achieved with our co-design optimization for the deformable convolution.

Graph-based Multi-ODE Neural Networks for Spatio-Temporal Traffic Forecasting

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal correlations observed in traffic networks. Current works primarily rely on road networks with graph structures and learn representations using graph neural networks (GNNs), but this approach suffers from over-smoothing problem in deep architectures. To tackle this problem, recent methods introduced the combination of GNNs with residual connections or neural ordinary differential equations (ODE). However, current graph ODE models face two key limitations in feature extraction: (1) they lean towards global temporal patterns, overlooking local patterns that are important for unexpected events; and (2) they lack dynamic semantic edges in their architectural design. In this paper, we propose a novel architecture called Graph-based Multi-ODE Neural Networks (GRAM-ODE) which is designed with multiple connective ODE-GNN modules to learn better representations by capturing different views of complex local and global dynamic spatio-temporal dependencies. We also add some techniques like shared weights and divergence constraints into the intermediate layers of distinct ODE-GNN modules to further improve their communication towards the forecasting task. Our extensive set of experiments conducted on six real-world datasets demonstrate the superior performance of GRAM-ODE compared with state-of-the-art baselines as well as the contribution of different components to the overall performance. The code is available at https://github.com/zbliu98/GRAM-ODE

Learning dynamic representations of the functional connectome in neurobiological networks

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Early warning signals: The charted and uncharted territories

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

Chaos as an interpretable benchmark for forecasting and data-driven modelling

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.

On Neural Differential Equations

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Understanding the differences in Foundation Models: Attention, State Space Models, and Recurrent Neural Networks

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.

Solving Data Quality Problems with Desbordante: a Demo

Data profiling is an essential process in modern data-driven industries. One of its critical components is the discovery and validation of complex statistics, including functional dependencies, data constraints, association rules, and others. However, most existing data profiling systems that focus on complex statistics do not provide proper integration with the tools used by contemporary data scientists. This creates a significant barrier to the adoption of these tools in the industry. Moreover, existing systems were not created with industrial-grade workloads in mind. Finally, they do not aim to provide descriptive explanations, i.e. why a given pattern is not found. It is a significant issue as it is essential to understand the underlying reasons for a specific pattern's absence to make informed decisions based on the data. Because of that, these patterns are effectively rest in thin air: their application scope is rather limited, they are rarely used by the broader public. At the same time, as we are going to demonstrate in this presentation, complex statistics can be efficiently used to solve many classic data quality problems. Desbordante is an open-source data profiler that aims to close this gap. It is built with emphasis on industrial application: it is efficient, scalable, resilient to crashes, and provides explanations. Furthermore, it provides seamless Python integration by offloading various costly operations to the C++ core, not only mining. In this demonstration, we show several scenarios that allow end users to solve different data quality problems. Namely, we showcase typo detection, data deduplication, and data anomaly detection scenarios.

Generalized Teacher Forcing for Learning Chaotic Dynamics

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Forecasting Thermoacoustic Instabilities in Liquid Propellant Rocket Engines Using Multimodal Bayesian Deep Learning

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

TimeGraphs: Graph-based Temporal Reasoning

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.

Multi-marginal Schrödinger Bridges with Iterative Reference Refinement

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.

DyFraNet: Forecasting and Backcasting Dynamic Fracture Mechanics in Space and Time Using a 2D-to-3D Deep Neural Network

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.

Limits and Powers of Koopman Learning

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.

Research on Optimizing Real-Time Data Processing in High-Frequency Trading Algorithms using Machine Learning

High-frequency trading (HFT) represents a pivotal and intensely competitive domain within the financial markets. The velocity and accuracy of data processing exert a direct influence on profitability, underscoring the significance of this field. The objective of this work is to optimise the real-time processing of data in high-frequency trading algorithms. The dynamic feature selection mechanism is responsible for monitoring and analysing market data in real time through clustering and feature weight analysis, with the objective of automatically selecting the most relevant features. This process employs an adaptive feature extraction method, which enables the system to respond and adjust its feature set in a timely manner when the data input changes, thus ensuring the efficient utilisation of data. The lightweight neural networks are designed in a modular fashion, comprising fast convolutional layers and pruning techniques that facilitate the expeditious completion of data processing and output prediction. In contrast to conventional deep learning models, the neural network architecture has been specifically designed to minimise the number of parameters and computational complexity, thereby markedly reducing the inference time. The experimental results demonstrate that the model is capable of maintaining consistent performance in the context of varying market conditions, thereby illustrating its advantages in terms of processing speed and revenue enhancement.

Pattern and Origin for the Extreme γ-ray Flares of 3C 454.3 and 3C 279: An Astrophysical Critical Damper?

We apply a Gaussian process method to the extreme gamma-ray flares of 3C 454.3 and 3C 279 to discover the variable patterns and then to investigate the physical origins of the giant flares. The kernels of stochastically driven damped simple harmonic oscillator (SHO), the damped random-walk (DRW), and Matrm ern-3/2 are respectively used to describe the adaptive-binning gamma-ray light curves of the two flares. Our findings show that both the extreme gamma-ray flares of 3C 454.3 and 3C 279 clearly prefer the SHO kernel in the over-damped mode and the Matrm ern-3/2 kernel over the DRW kernel. The resulted SHO and Matrm ern-3/2 power spectral densities (PSDs) are the same for each object, with the index changing from -4 at high frequencies to 0 at low frequencies. The patterns of the two flares are both approaching the critical damping mode with the quality factor Q approx 0.4 (i.e., the damping ratio eta approx 1.25), but with slightly different damping timescales. The characteristic timescale (corresponding to the broken frequency in the PSD) for 3C 454.3 is 2-3 days and 3-5 days for 3C 279. The variable patterns found here suggest that once the system responds to the energy injection disturbance, the release of the energy in the system is finished abruptly. The obtained timescale provides a constraint on the size of energy dissipation region for each source.

Pay Attention to Evolution: Time Series Forecasting with Deep Graph-Evolution Learning

Time-series forecasting is one of the most active research topics in artificial intelligence. Applications in real-world time series should consider two factors for achieving reliable predictions: modeling dynamic dependencies among multiple variables and adjusting the model's intrinsic hyperparameters. A still open gap in that literature is that statistical and ensemble learning approaches systematically present lower predictive performance than deep learning methods. They generally disregard the data sequence aspect entangled with multivariate data represented in more than one time series. Conversely, this work presents a novel neural network architecture for time-series forecasting that combines the power of graph evolution with deep recurrent learning on distinct data distributions; we named our method Recurrent Graph Evolution Neural Network (ReGENN). The idea is to infer multiple multivariate relationships between co-occurring time-series by assuming that the temporal data depends not only on inner variables and intra-temporal relationships (i.e., observations from itself) but also on outer variables and inter-temporal relationships (i.e., observations from other-selves). An extensive set of experiments was conducted comparing ReGENN with dozens of ensemble methods and classical statistical ones, showing sound improvement of up to 64.87% over the competing algorithms. Furthermore, we present an analysis of the intermediate weights arising from ReGENN, showing that by looking at inter and intra-temporal relationships simultaneously, time-series forecasting is majorly improved if paying attention to how multiple multivariate data synchronously evolve.

Reward-Consistent Dynamics Models are Strongly Generalizable for Offline Reinforcement Learning

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.

Liquid Neural Network-based Adaptive Learning vs. Incremental Learning for Link Load Prediction amid Concept Drift due to Network Failures

Adapting to concept drift is a challenging task in machine learning, which is usually tackled using incremental learning techniques that periodically re-fit a learning model leveraging newly available data. A primary limitation of these techniques is their reliance on substantial amounts of data for retraining. The necessity of acquiring fresh data introduces temporal delays prior to retraining, potentially rendering the models inaccurate if a sudden concept drift occurs in-between two consecutive retrainings. In communication networks, such issue emerges when performing traffic forecasting following a~failure event: post-failure re-routing may induce a drastic shift in distribution and pattern of traffic data, thus requiring a timely model adaptation. In this work, we address this challenge for the problem of traffic forecasting and propose an approach that exploits adaptive learning algorithms, namely, liquid neural networks, which are capable of self-adaptation to abrupt changes in data patterns without requiring any retraining. Through extensive simulations of failure scenarios, we compare the predictive performance of our proposed approach to that of a reference method based on incremental learning. Experimental results show that our proposed approach outperforms incremental learning-based methods in situations where the shifts in traffic patterns are drastic.

Control of Medical Digital Twins with Artificial Neural Networks

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

A Review of Deep Learning with Special Emphasis on Architectures, Applications and Recent Trends

Deep learning has solved a problem that as little as five years ago was thought by many to be intractable - the automatic recognition of patterns in data; and it can do so with accuracy that often surpasses human beings. It has solved problems beyond the realm of traditional, hand-crafted machine learning algorithms and captured the imagination of practitioners trying to make sense out of the flood of data that now inundates our society. As public awareness of the efficacy of DL increases so does the desire to make use of it. But even for highly trained professionals it can be daunting to approach the rapidly increasing body of knowledge produced by experts in the field. Where does one start? How does one determine if a particular model is applicable to their problem? How does one train and deploy such a network? A primer on the subject can be a good place to start. With that in mind, we present an overview of some of the key multilayer ANNs that comprise DL. We also discuss some new automatic architecture optimization protocols that use multi-agent approaches. Further, since guaranteeing system uptime is becoming critical to many computer applications, we include a section on using neural networks for fault detection and subsequent mitigation. This is followed by an exploratory survey of several application areas where DL has emerged as a game-changing technology: anomalous behavior detection in financial applications or in financial time-series forecasting, predictive and prescriptive analytics, medical image processing and analysis and power systems research. The thrust of this review is to outline emerging areas of application-oriented research within the DL community as well as to provide a reference to researchers seeking to use it in their work for what it does best: statistical pattern recognition with unparalleled learning capacity with the ability to scale with information.

TempME: Towards the Explainability of Temporal Graph Neural Networks via Motif Discovery

Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

Grokking as the Transition from Lazy to Rich Training Dynamics

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.

Emergence of Hidden Capabilities: Exploring Learning Dynamics in Concept Space

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

A Novel Predictive-Coding-Inspired Variational RNN Model for Online Prediction and Recognition

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

A brain basis of dynamical intelligence for AI and computational neuroscience

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.

Are we certain it's anomalous?

The progress in modelling time series and, more generally, sequences of structured data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviors in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learned with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, and Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

A Neural-Guided Dynamic Symbolic Network for Exploring Mathematical Expressions from Data

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Dynamic Neural Network is All You Need: Understanding the Robustness of Dynamic Mechanisms in Neural Networks

Deep Neural Networks (DNNs) have been used to solve different day-to-day problems. Recently, DNNs have been deployed in real-time systems, and lowering the energy consumption and response time has become the need of the hour. To address this scenario, researchers have proposed incorporating dynamic mechanism to static DNNs (SDNN) to create Dynamic Neural Networks (DyNNs) performing dynamic amounts of computation based on the input complexity. Although incorporating dynamic mechanism into SDNNs would be preferable in real-time systems, it also becomes important to evaluate how the introduction of dynamic mechanism impacts the robustness of the models. However, there has not been a significant number of works focusing on the robustness trade-off between SDNNs and DyNNs. To address this issue, we propose to investigate the robustness of dynamic mechanism in DyNNs and how dynamic mechanism design impacts the robustness of DyNNs. For that purpose, we evaluate three research questions. These evaluations are performed on three models and two datasets. Through the studies, we find that attack transferability from DyNNs to SDNNs is higher than attack transferability from SDNNs to DyNNs. Also, we find that DyNNs can be used to generate adversarial samples more efficiently than SDNNs. Then, through research studies, we provide insight into the design choices that can increase robustness of DyNNs against the attack generated using static model. Finally, we propose a novel attack to understand the additional attack surface introduced by the dynamic mechanism and provide design choices to improve robustness against the attack.

Moirai-MoE: Empowering Time Series Foundation Models with Sparse Mixture of Experts

Time series foundation models have demonstrated impressive performance as zero-shot forecasters. However, achieving effectively unified training on time series remains an open challenge. Existing approaches introduce some level of model specialization to account for the highly heterogeneous nature of time series data. For instance, Moirai pursues unified training by employing multiple input/output projection layers, each tailored to handle time series at a specific frequency. Similarly, TimesFM maintains a frequency embedding dictionary for this purpose. We identify two major drawbacks to this human-imposed frequency-level model specialization: (1) Frequency is not a reliable indicator of the underlying patterns in time series. For example, time series with different frequencies can display similar patterns, while those with the same frequency may exhibit varied patterns. (2) Non-stationarity is an inherent property of real-world time series, leading to varied distributions even within a short context window of a single time series. Frequency-level specialization is too coarse-grained to capture this level of diversity. To address these limitations, this paper introduces Moirai-MoE, using a single input/output projection layer while delegating the modeling of diverse time series patterns to the sparse mixture of experts (MoE) within Transformers. With these designs, Moirai-MoE reduces reliance on human-defined heuristics and enables automatic token-level specialization. Extensive experiments on 39 datasets demonstrate the superiority of Moirai-MoE over existing foundation models in both in-distribution and zero-shot scenarios. Furthermore, this study conducts comprehensive model analyses to explore the inner workings of time series MoE foundation models and provides valuable insights for future research.

Continual Model-Based Reinforcement Learning with Hypernetworks

Effective planning in model-based reinforcement learning (MBRL) and model-predictive control (MPC) relies on the accuracy of the learned dynamics model. In many instances of MBRL and MPC, this model is assumed to be stationary and is periodically re-trained from scratch on state transition experience collected from the beginning of environment interactions. This implies that the time required to train the dynamics model - and the pause required between plan executions - grows linearly with the size of the collected experience. We argue that this is too slow for lifelong robot learning and propose HyperCRL, a method that continually learns the encountered dynamics in a sequence of tasks using task-conditional hypernetworks. Our method has three main attributes: first, it includes dynamics learning sessions that do not revisit training data from previous tasks, so it only needs to store the most recent fixed-size portion of the state transition experience; second, it uses fixed-capacity hypernetworks to represent non-stationary and task-aware dynamics; third, it outperforms existing continual learning alternatives that rely on fixed-capacity networks, and does competitively with baselines that remember an ever increasing coreset of past experience. We show that HyperCRL is effective in continual model-based reinforcement learning in robot locomotion and manipulation scenarios, such as tasks involving pushing and door opening. Our project website with videos is at this link https://rvl.cs.toronto.edu/blog/2020/hypercrl

TimesNet: Temporal 2D-Variation Modeling for General Time Series Analysis

Time series analysis is of immense importance in extensive applications, such as weather forecasting, anomaly detection, and action recognition. This paper focuses on temporal variation modeling, which is the common key problem of extensive analysis tasks. Previous methods attempt to accomplish this directly from the 1D time series, which is extremely challenging due to the intricate temporal patterns. Based on the observation of multi-periodicity in time series, we ravel out the complex temporal variations into the multiple intraperiod- and interperiod-variations. To tackle the limitations of 1D time series in representation capability, we extend the analysis of temporal variations into the 2D space by transforming the 1D time series into a set of 2D tensors based on multiple periods. This transformation can embed the intraperiod- and interperiod-variations into the columns and rows of the 2D tensors respectively, making the 2D-variations to be easily modeled by 2D kernels. Technically, we propose the TimesNet with TimesBlock as a task-general backbone for time series analysis. TimesBlock can discover the multi-periodicity adaptively and extract the complex temporal variations from transformed 2D tensors by a parameter-efficient inception block. Our proposed TimesNet achieves consistent state-of-the-art in five mainstream time series analysis tasks, including short- and long-term forecasting, imputation, classification, and anomaly detection. Code is available at this repository: https://github.com/thuml/TimesNet.

Causal Discovery from Heterogeneous/Nonstationary Data with Independent Changes

It is commonplace to encounter heterogeneous or nonstationary data, of which the underlying generating process changes across domains or over time. Such a distribution shift feature presents both challenges and opportunities for causal discovery. In this paper, we develop a framework for causal discovery from such data, called Constraint-based causal Discovery from heterogeneous/NOnstationary Data (CD-NOD), to find causal skeleton and directions and estimate the properties of mechanism changes. First, we propose an enhanced constraint-based procedure to detect variables whose local mechanisms change and recover the skeleton of the causal structure over observed variables. Second, we present a method to determine causal orientations by making use of independent changes in the data distribution implied by the underlying causal model, benefiting from information carried by changing distributions. After learning the causal structure, next, we investigate how to efficiently estimate the "driving force" of the nonstationarity of a causal mechanism. That is, we aim to extract from data a low-dimensional representation of changes. The proposed methods are nonparametric, with no hard restrictions on data distributions and causal mechanisms, and do not rely on window segmentation. Furthermore, we find that data heterogeneity benefits causal structure identification even with particular types of confounders. Finally, we show the connection between heterogeneity/nonstationarity and soft intervention in causal discovery. Experimental results on various synthetic and real-world data sets (task-fMRI and stock market data) are presented to demonstrate the efficacy of the proposed methods.

Chimera: Effectively Modeling Multivariate Time Series with 2-Dimensional State Space Models

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

Is Mamba Effective for Time Series Forecasting?

In the realm of time series forecasting (TSF), it is imperative for models to adeptly discern and distill hidden patterns within historical time series data to forecast future states. Transformer-based models exhibit formidable efficacy in TSF, primarily attributed to their advantage in apprehending these patterns. However, the quadratic complexity of the Transformer leads to low computational efficiency and high costs, which somewhat hinders the deployment of the TSF model in real-world scenarios. Recently, Mamba, a selective state space model, has gained traction due to its ability to process dependencies in sequences while maintaining near-linear complexity. For TSF tasks, these characteristics enable Mamba to comprehend hidden patterns as the Transformer and reduce computational overhead compared to the Transformer. Therefore, we propose a Mamba-based model named Simple-Mamba (S-Mamba) for TSF. Specifically, we tokenize the time points of each variate autonomously via a linear layer. A bidirectional Mamba layer is utilized to extract inter-variate correlations and a Feed-Forward Network is set to learn temporal dependencies. Finally, the generation of forecast outcomes through a linear mapping layer. Experiments on thirteen public datasets prove that S-Mamba maintains low computational overhead and achieves leading performance. Furthermore, we conduct extensive experiments to explore Mamba's potential in TSF tasks. Our code is available at https://github.com/wzhwzhwzh0921/S-D-Mamba.

Model scale versus domain knowledge in statistical forecasting of chaotic systems

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.

Comparing Dataset Characteristics that Favor the Apriori, Eclat or FP-Growth Frequent Itemset Mining Algorithms

Frequent itemset mining is a popular data mining technique. Apriori, Eclat, and FP-Growth are among the most common algorithms for frequent itemset mining. Considerable research has been performed to compare the relative performance between these three algorithms, by evaluating the scalability of each algorithm as the dataset size increases. While scalability as data size increases is important, previous papers have not examined the performance impact of similarly sized datasets that contain different itemset characteristics. This paper explores the effects that two dataset characteristics can have on the performance of these three frequent itemset algorithms. To perform this empirical analysis, a dataset generator is created to measure the effects of frequent item density and the maximum transaction size on performance. The generated datasets contain the same number of rows. This provides some insight into dataset characteristics that are conducive to each algorithm. The results of this paper's research demonstrate Eclat and FP-Growth both handle increases in maximum transaction size and frequent itemset density considerably better than the Apriori algorithm. This paper explores the effects that two dataset characteristics can have on the performance of these three frequent itemset algorithms. To perform this empirical analysis, a dataset generator is created to measure the effects of frequent item density and the maximum transaction size on performance. The generated datasets contain the same number of rows. This provides some insight into dataset characteristics that are conducive to each algorithm. The results of this paper's research demonstrate Eclat and FP-Growth both handle increases in maximum transaction size and frequent itemset density considerably better than the Apriori algorithm.

Autoregressive Hidden Markov Models with partial knowledge on latent space applied to aero-engines prognostics

[This paper was initially published in PHME conference in 2016, selected for further publication in International Journal of Prognostics and Health Management.] This paper describes an Autoregressive Partially-hidden Markov model (ARPHMM) for fault detection and prognostics of equipments based on sensors' data. It is a particular dynamic Bayesian network that allows to represent the dynamics of a system by means of a Hidden Markov Model (HMM) and an autoregressive (AR) process. The Markov chain assumes that the system is switching back and forth between internal states while the AR process ensures a temporal coherence on sensor measurements. A sound learning procedure of standard ARHMM based on maximum likelihood allows to iteratively estimate all parameters simultaneously. This paper suggests a modification of the learning procedure considering that one may have prior knowledge about the structure which becomes partially hidden. The integration of the prior is based on the Theory of Weighted Distributions which is compatible with the Expectation-Maximization algorithm in the sense that the convergence properties are still satisfied. We show how to apply this model to estimate the remaining useful life based on health indicators. The autoregressive parameters can indeed be used for prediction while the latent structure can be used to get information about the degradation level. The interest of the proposed method for prognostics and health assessment is demonstrated on CMAPSS datasets.

Towards Robust and Adaptive Motion Forecasting: A Causal Representation Perspective

Learning behavioral patterns from observational data has been a de-facto approach to motion forecasting. Yet, the current paradigm suffers from two shortcomings: brittle under distribution shifts and inefficient for knowledge transfer. In this work, we propose to address these challenges from a causal representation perspective. We first introduce a causal formalism of motion forecasting, which casts the problem as a dynamic process with three groups of latent variables, namely invariant variables, style confounders, and spurious features. We then introduce a learning framework that treats each group separately: (i) unlike the common practice mixing datasets collected from different locations, we exploit their subtle distinctions by means of an invariance loss encouraging the model to suppress spurious correlations; (ii) we devise a modular architecture that factorizes the representations of invariant mechanisms and style confounders to approximate a sparse causal graph; (iii) we introduce a style contrastive loss that not only enforces the structure of style representations but also serves as a self-supervisory signal for test-time refinement on the fly. Experiments on synthetic and real datasets show that our proposed method improves the robustness and reusability of learned motion representations, significantly outperforming prior state-of-the-art motion forecasting models for out-of-distribution generalization and low-shot transfer.

RoLA: A Real-Time Online Lightweight Anomaly Detection System for Multivariate Time Series

A multivariate time series refers to observations of two or more variables taken from a device or a system simultaneously over time. There is an increasing need to monitor multivariate time series and detect anomalies in real time to ensure proper system operation and good service quality. It is also highly desirable to have a lightweight anomaly detection system that considers correlations between different variables, adapts to changes in the pattern of the multivariate time series, offers immediate responses, and provides supportive information regarding detection results based on unsupervised learning and online model training. In the past decade, many multivariate time series anomaly detection approaches have been introduced. However, they are unable to offer all the above-mentioned features. In this paper, we propose RoLA, a real-time online lightweight anomaly detection system for multivariate time series based on a divide-and-conquer strategy, parallel processing, and the majority rule. RoLA employs multiple lightweight anomaly detectors to monitor multivariate time series in parallel, determine the correlations between variables dynamically on the fly, and then jointly detect anomalies based on the majority rule in real time. To demonstrate the performance of RoLA, we conducted an experiment based on a public dataset provided by the FerryBox of the One Ocean Expedition. The results show that RoLA provides satisfactory detection accuracy and lightweight performance.

Encoding Time-Series Explanations through Self-Supervised Model Behavior Consistency

Interpreting time series models is uniquely challenging because it requires identifying both the location of time series signals that drive model predictions and their matching to an interpretable temporal pattern. While explainers from other modalities can be applied to time series, their inductive biases do not transfer well to the inherently challenging interpretation of time series. We present TimeX, a time series consistency model for training explainers. TimeX trains an interpretable surrogate to mimic the behavior of a pretrained time series model. It addresses the issue of model faithfulness by introducing model behavior consistency, a novel formulation that preserves relations in the latent space induced by the pretrained model with relations in the latent space induced by TimeX. TimeX provides discrete attribution maps and, unlike existing interpretability methods, it learns a latent space of explanations that can be used in various ways, such as to provide landmarks to visually aggregate similar explanations and easily recognize temporal patterns. We evaluate TimeX on eight synthetic and real-world datasets and compare its performance against state-of-the-art interpretability methods. We also conduct case studies using physiological time series. Quantitative evaluations demonstrate that TimeX achieves the highest or second-highest performance in every metric compared to baselines across all datasets. Through case studies, we show that the novel components of TimeX show potential for training faithful, interpretable models that capture the behavior of pretrained time series models.

Demystifying the Token Dynamics of Deep Selective State Space Models

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.

Dynamical Linear Bandits

In many real-world sequential decision-making problems, an action does not immediately reflect on the feedback and spreads its effects over a long time frame. For instance, in online advertising, investing in a platform produces an instantaneous increase of awareness, but the actual reward, i.e., a conversion, might occur far in the future. Furthermore, whether a conversion takes place depends on: how fast the awareness grows, its vanishing effects, and the synergy or interference with other advertising platforms. Previous work has investigated the Multi-Armed Bandit framework with the possibility of delayed and aggregated feedback, without a particular structure on how an action propagates in the future, disregarding possible dynamical effects. In this paper, we introduce a novel setting, the Dynamical Linear Bandits (DLB), an extension of the linear bandits characterized by a hidden state. When an action is performed, the learner observes a noisy reward whose mean is a linear function of the hidden state and of the action. Then, the hidden state evolves according to linear dynamics, affected by the performed action too. We start by introducing the setting, discussing the notion of optimal policy, and deriving an expected regret lower bound. Then, we provide an optimistic regret minimization algorithm, Dynamical Linear Upper Confidence Bound (DynLin-UCB), that suffers an expected regret of order mathcal{O} Big( d sqrt{T}{(1-rho)^{3/2}} Big), where rho is a measure of the stability of the system, and d is the dimension of the action vector. Finally, we conduct a numerical validation on a synthetic environment and on real-world data to show the effectiveness of DynLin-UCB in comparison with several baselines.

Time Series Analysis for Education: Methods, Applications, and Future Directions

Recent advancements in the collection and analysis of sequential educational data have brought time series analysis to a pivotal position in educational research, highlighting its essential role in facilitating data-driven decision-making. However, there is a lack of comprehensive summaries that consolidate these advancements. To the best of our knowledge, this paper is the first to provide a comprehensive review of time series analysis techniques specifically within the educational context. We begin by exploring the landscape of educational data analytics, categorizing various data sources and types relevant to education. We then review four prominent time series methods-forecasting, classification, clustering, and anomaly detection-illustrating their specific application points in educational settings. Subsequently, we present a range of educational scenarios and applications, focusing on how these methods are employed to address diverse educational tasks, which highlights the practical integration of multiple time series methods to solve complex educational problems. Finally, we conclude with a discussion on future directions, including personalized learning analytics, multimodal data fusion, and the role of large language models (LLMs) in educational time series. The contributions of this paper include a detailed taxonomy of educational data, a synthesis of time series techniques with specific educational applications, and a forward-looking perspective on emerging trends and future research opportunities in educational analysis. The related papers and resources are available and regularly updated at the project page.

An Investigation of the Structural Characteristics of the Indian IT Sector and the Capital Goods Sector: An Application of the R Programming in Time Series Decomposition and Forecasting

Time series analysis and forecasting of stock market prices has been a very active area of research over the last two decades. Availability of extremely fast and parallel architecture of computing and sophisticated algorithms has made it possible to extract, store, process and analyze high volume stock market time series data very efficiently. In this paper, we have used time series data of the two sectors of the Indian economy: Information Technology and Capital Goods for the period January 2009 till April 2016 and have studied the relationships of these two time series with the time series of DJIA index, NIFTY index and the US Dollar to Indian Rupee exchange rate. We establish by graphical and statistical tests that while the IT sector of India has a strong association with DJIA index and the Dollar to Rupee exchange rate, the Indian CG sector exhibits a strong association with the NIFTY index. We contend that these observations corroborate our hypotheses that the Indian IT sector is strongly coupled with the world economy whereas the CG sector of India reflects internal economic growth of India. We also present several models of regression between the time series which exhibit strong association among them. The effectiveness of these models have been demonstrated by very low values of their forecasting errors.

Peregrine: A Pattern-Aware Graph Mining System

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

Foundation Inference Models for Markov Jump Processes

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.

On the Power of the Weisfeiler-Leman Test for Graph Motif Parameters

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the k-dimensional Weisfeiler-Leman (kWL) test, a widely-recognized method for verifying graph isomorphism. This connection has reignited interest in comprehending the specific graph properties effectively distinguishable by the kWL test. A central focus of research in this field revolves around determining the least dimensionality k, for which kWL can discern graphs with different number of occurrences of a pattern graph P. We refer to such a least k as the WL-dimension of this pattern counting problem. This inquiry traditionally delves into two distinct counting problems related to patterns: subgraph counting and induced subgraph counting. Intriguingly, despite their initial appearance as separate challenges with seemingly divergent approaches, both of these problems are interconnected components of a more comprehensive problem: "graph motif parameters". In this paper, we provide a precise characterization of the WL-dimension of labeled graph motif parameters. As specific instances of this result, we obtain characterizations of the WL-dimension of the subgraph counting and induced subgraph counting problem for every labeled pattern P. We additionally demonstrate that in cases where the kWL test distinguishes between graphs with varying occurrences of a pattern P, the exact number of occurrences of P can be computed uniformly using only local information of the last layer of a corresponding GNN. We finally delve into the challenge of recognizing the WL-dimension of various graph parameters. We give a polynomial time algorithm for determining the WL-dimension of the subgraph counting problem for given pattern P, answering an open question from previous work.

Solving robust MDPs as a sequence of static RL problems

Designing control policies whose performance level is guaranteed to remain above a given threshold in a span of environments is a critical feature for the adoption of reinforcement learning (RL) in real-world applications. The search for such robust policies is a notoriously difficult problem, related to the so-called dynamic model of transition function uncertainty, where the environment dynamics are allowed to change at each time step. But in practical cases, one is rather interested in robustness to a span of static transition models throughout interaction episodes. The static model is known to be harder to solve than the dynamic one, and seminal algorithms, such as robust value iteration, as well as most recent works on deep robust RL, build upon the dynamic model. In this work, we propose to revisit the static model. We suggest an analysis of why solving the static model under some mild hypotheses is a reasonable endeavor, based on an equivalence with the dynamic model, and formalize the general intuition that robust MDPs can be solved by tackling a series of static problems. We introduce a generic meta-algorithm called IWOCS, which incrementally identifies worst-case transition models so as to guide the search for a robust policy. Discussion on IWOCS sheds light on new ways to decouple policy optimization and adversarial transition functions and opens new perspectives for analysis. We derive a deep RL version of IWOCS and demonstrate it is competitive with state-of-the-art algorithms on classical benchmarks.

Towards Foundation Time Series Model: To Synthesize Or Not To Synthesize?

The industry is rich in cases when we are required to make forecasting for large amounts of time series at once. However, we might be in a situation where we can not afford to train a separate model for each of them. Such issue in time series modeling remains without due attention. The remedy for this setting is the establishment of a foundation model. Such a model is expected to work in zero-shot and few-shot regimes. However, what should we take as a training dataset for such kind of model? Witnessing the benefits from the enrichment of NLP datasets with artificially-generated data, we might want to adopt their experience for time series. In contrast to natural language, the process of generation of synthetic time series data is even more favorable because it provides full control of series patterns, time horizons, and number of samples. In this work, we consider the essential question if it is advantageous to train a foundation model on synthetic data or it is better to utilize only a limited number of real-life examples. Our experiments are conducted only for regular time series and speak in favor of leveraging solely the real time series. Moreover, the choice of the proper source dataset strongly influences the performance during inference. When provided access even to a limited quantity of short time series data, employing it within a supervised framework yields more favorable results than training on a larger volume of synthetic data. The code for our experiments is publicly available on Github https://github.com/sb-ai-lab/synthesize_or_not.

ConvNets for Counting: Object Detection of Transient Phenomena in Steelpan Drums

We train an object detector built from convolutional neural networks to count interference fringes in elliptical antinode regions in frames of high-speed video recordings of transient oscillations in Caribbean steelpan drums illuminated by electronic speckle pattern interferometry (ESPI). The annotations provided by our model aim to contribute to the understanding of time-dependent behavior in such drums by tracking the development of sympathetic vibration modes. The system is trained on a dataset of crowdsourced human-annotated images obtained from the Zooniverse Steelpan Vibrations Project. Due to the small number of human-annotated images and the ambiguity of the annotation task, we also evaluate the model on a large corpus of synthetic images whose properties have been matched to the real images by style transfer using a Generative Adversarial Network. Applying the model to thousands of unlabeled video frames, we measure oscillations consistent with audio recordings of these drum strikes. One unanticipated result is that sympathetic oscillations of higher-octave notes significantly precede the rise in sound intensity of the corresponding second harmonic tones; the mechanism responsible for this remains unidentified. This paper primarily concerns the development of the predictive model; further exploration of the steelpan images and deeper physical insights await its further application.

Fine-tuning deep learning model parameters for improved super-resolution of dynamic MRI with prior-knowledge

Dynamic imaging is a beneficial tool for interventions to assess physiological changes. Nonetheless during dynamic MRI, while achieving a high temporal resolution, the spatial resolution is compromised. To overcome this spatio-temporal trade-off, this research presents a super-resolution (SR) MRI reconstruction with prior knowledge based fine-tuning to maximise spatial information while reducing the required scan-time for dynamic MRIs. An U-Net based network with perceptual loss is trained on a benchmark dataset and fine-tuned using one subject-specific static high resolution MRI as prior knowledge to obtain high resolution dynamic images during the inference stage. 3D dynamic data for three subjects were acquired with different parameters to test the generalisation capabilities of the network. The method was tested for different levels of in-plane undersampling for dynamic MRI. The reconstructed dynamic SR results after fine-tuning showed higher similarity with the high resolution ground-truth, while quantitatively achieving statistically significant improvement. The average SSIM of the lowest resolution experimented during this research (6.25~\% of the k-space) before and after fine-tuning were 0.939 pm 0.008 and 0.957 pm 0.006 respectively. This could theoretically result in an acceleration factor of 16, which can potentially be acquired in less than half a second. The proposed approach shows that the super-resolution MRI reconstruction with prior-information can alleviate the spatio-temporal trade-off in dynamic MRI, even for high acceleration factors.

A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the wealth of information implicit in available data. With the recent advancements in graph neural networks (GNNs), there has been a surge in GNN-based approaches for time series analysis. These approaches can explicitly model inter-temporal and inter-variable relationships, which traditional and other deep neural network-based methods struggle to do. In this survey, we provide a comprehensive review of graph neural networks for time series analysis (GNN4TS), encompassing four fundamental dimensions: forecasting, classification, anomaly detection, and imputation. Our aim is to guide designers and practitioners to understand, build applications, and advance research of GNN4TS. At first, we provide a comprehensive task-oriented taxonomy of GNN4TS. Then, we present and discuss representative research works and introduce mainstream applications of GNN4TS. A comprehensive discussion of potential future research directions completes the survey. This survey, for the first time, brings together a vast array of knowledge on GNN-based time series research, highlighting foundations, practical applications, and opportunities of graph neural networks for time series analysis.