Jianmin Wang

Haixu Wu, Tengge Hu, Yong Liu et al.

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.

Yong Liu, Haixu Wu, Jianmin Wang et al.

Transformers have shown great power in time series forecasting due to their global-range modeling ability. However, their performance can degenerate terribly on non-stationary real-world data in which the joint distribution changes over time. Previous studies primarily adopt stationarization to attenuate the non-stationarity of original series for better predictability. But the stationarized series deprived of inherent non-stationarity can be less instructive for real-world bursty events forecasting. This problem, termed over-stationarization in this paper, leads Transformers to generate indistinguishable temporal attentions for different series and impedes the predictive capability of deep models. To tackle the dilemma between series predictability and model capability, we propose Non-stationary Transformers as a generic framework with two interdependent modules: Series Stationarization and De-stationary Attention. Concretely, Series Stationarization unifies the statistics of each input and converts the output with restored statistics for better predictability. To address the over-stationarization problem, De-stationary Attention is devised to recover the intrinsic non-stationary information into temporal dependencies by approximating distinguishable attentions learned from raw series. Our Non-stationary Transformers framework consistently boosts mainstream Transformers by a large margin, which reduces MSE by 49.43% on Transformer, 47.34% on Informer, and 46.89% on Reformer, making them the state-of-the-art in time series forecasting. Code is available at this repository: https://github.com/thuml/Nonstationary_Transformers.

Haoyu Ma, Jialong Wu, Ningya Feng et al. · tsinghua

Model-based reinforcement learning (MBRL) holds the promise of sample-efficient learning by utilizing a world model, which models how the environment works and typically encompasses components for two tasks: observation modeling and reward modeling. In this paper, through a dedicated empirical investigation, we gain a deeper understanding of the role each task plays in world models and uncover the overlooked potential of sample-efficient MBRL by mitigating the domination of either observation or reward modeling. Our key insight is that while prevalent approaches of explicit MBRL attempt to restore abundant details of the environment via observation models, it is difficult due to the environment's complexity and limited model capacity. On the other hand, reward models, while dominating implicit MBRL and adept at learning compact task-centric dynamics, are inadequate for sample-efficient learning without richer learning signals. Motivated by these insights and discoveries, we propose a simple yet effective approach, HarmonyDream, which automatically adjusts loss coefficients to maintain task harmonization, i.e. a dynamic equilibrium between the two tasks in world model learning. Our experiments show that the base MBRL method equipped with HarmonyDream gains 10%-69% absolute performance boosts on visual robotic tasks and sets a new state-of-the-art result on the Atari 100K benchmark. Code is available at https://github.com/thuml/HarmonyDream.

Yuxuan Wang, Haixu Wu, Jiaxiang Dong et al.

Time series, characterized by a sequence of data points organized in a discrete-time order, are ubiquitous in real-world scenarios. Unlike other data modalities, time series present unique challenges due to their intricate and dynamic nature, including the entanglement of nonlinear patterns and time-variant trends. Analyzing such data is of great significance in practical applications and has been extensively studied for centuries. Recent years have witnessed remarkable breakthroughs in the time series community, with techniques shifting from traditional statistical methods to contemporary deep learning models. In this paper, we delve into the design of deep time series models across various analysis tasks and review the existing literature from two perspectives: basic modules and model architectures. Further, we develop and release Time Series Library (TSLib) as a fair benchmark of deep time series models for diverse analysis tasks. TSLib implements 30 prominent models, covers 30 datasets from different domains, and supports five prevalent analysis tasks. Based on TSLib, we thoroughly evaluate 13 advanced deep time series models across diverse tasks. Empirical results indicate that models with specific structures are well-suited for distinct analytical tasks, providing insights for research and adoption of deep time series models. Code and datasets are available at https://github.com/thuml/Time-Series-Library.

Haixu Wu, Tengge Hu, Huakun Luo et al.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Yang Shu, Xingzhuo Guo, Jialong Wu et al. · tencent-ai, tsinghua

Out-of-distribution (OOD) generalization, where the model needs to handle distribution shifts from training, is a major challenge of machine learning. Contrastive language-image pre-training (CLIP) models have shown impressive zero-shot ability, but the further adaptation of CLIP on downstream tasks undesirably degrades OOD performances. This paper aims at generalizing CLIP to out-of-distribution test data on downstream tasks. We propose CLIPood, a fine-tuning method that can adapt CLIP models to OOD situations where both domain shifts and open classes may occur on the unseen test data. To exploit the semantic relations between classes from the text modality, CLIPood introduces a new training objective, margin metric softmax (MMS), with class adaptive margins for fine-tuning. To incorporate both pre-trained zero-shot model and fine-tuned task-adaptive model, CLIPood leverages a new optimization strategy, Beta moving average (BMA), to maintain a temporal ensemble weighted by Beta distribution. Experiments on diverse datasets with different OOD scenarios show that CLIPood consistently outperforms existing generalization techniques.

Jiaxiang Dong, Haixu Wu, Haoran Zhang et al.

Time series analysis is widely used in extensive areas. Recently, to reduce labeling expenses and benefit various tasks, self-supervised pre-training has attracted immense interest. One mainstream paradigm is masked modeling, which successfully pre-trains deep models by learning to reconstruct the masked content based on the unmasked part. However, since the semantic information of time series is mainly contained in temporal variations, the standard way of randomly masking a portion of time points will seriously ruin vital temporal variations of time series, making the reconstruction task too difficult to guide representation learning. We thus present SimMTM, a Simple pre-training framework for Masked Time-series Modeling. By relating masked modeling to manifold learning, SimMTM proposes to recover masked time points by the weighted aggregation of multiple neighbors outside the manifold, which eases the reconstruction task by assembling ruined but complementary temporal variations from multiple masked series. SimMTM further learns to uncover the local structure of the manifold, which is helpful for masked modeling. Experimentally, SimMTM achieves state-of-the-art fine-tuning performance compared to the most advanced time series pre-training methods in two canonical time series analysis tasks: forecasting and classification, covering both in- and cross-domain settings.

Chao Huang, Zhangjie Cao, Yunbo Wang et al.

Deep learning techniques for point clouds have achieved strong performance on a range of 3D vision tasks. However, it is costly to annotate large-scale point sets, making it critical to learn generalizable representations that can transfer well across different point sets. In this paper, we study a new problem of 3D Domain Generalization (3DDG) with the goal to generalize the model to other unseen domains of point clouds without any access to them in the training process. It is a challenging problem due to the substantial geometry shift from simulated to real data, such that most existing 3D models underperform due to overfitting the complete geometries in the source domain. We propose to tackle this problem via MetaSets, which meta-learns point cloud representations from a group of classification tasks on carefully-designed transformed point sets containing specific geometry priors. The learned representations are more generalizable to various unseen domains of different geometries. We design two benchmarks for Sim-to-Real transfer of 3D point clouds. Experimental results show that MetaSets outperforms existing 3D deep learning methods by large margins.

Zhangjie Cao, Kaichao You, Ziyang Zhang et al.

Domain adaptation targets at knowledge acquisition and dissemination from a labeled source domain to an unlabeled target domain under distribution shift. Still, the common requirement of identical class space shared across domains hinders applications of domain adaptation to partial-set domains. Recent advances show that deep pre-trained models of large scale endow rich knowledge to tackle diverse downstream tasks of small scale. Thus, there is a strong incentive to adapt models from large-scale domains to small-scale domains. This paper introduces Partial Domain Adaptation (PDA), a learning paradigm that relaxes the identical class space assumption to that the source class space subsumes the target class space. First, we present a theoretical analysis of partial domain adaptation, which uncovers the importance of estimating the transferable probability of each class and each instance across domains. Then, we propose Selective Adversarial Network (SAN and SAN++) with a bi-level selection strategy and an adversarial adaptation mechanism. The bi-level selection strategy up-weighs each class and each instance simultaneously for source supervised training, target self-training, and source-target adversarial adaptation through the transferable probability estimated alternately by the model. Experiments on standard partial-set datasets and more challenging tasks with superclasses show that SAN++ outperforms several domain adaptation methods.

Lanxiang Xing, Haixu Wu, Yuezhou Ma et al.

Fluid prediction is a long-standing challenge due to the intrinsic high-dimensional non-linear dynamics. Previous methods usually utilize the non-linear modeling capability of deep models to directly estimate velocity fields for future prediction. However, skipping over inherent physical properties but directly learning superficial velocity fields will overwhelm the model from generating precise or physics-reliable results. In this paper, we propose the HelmFluid toward an accurate and interpretable predictor for fluid. Inspired by the Helmholtz theorem, we design a HelmDynamics block to learn Helmholtz dynamics, which decomposes fluid dynamics into more solvable curl-free and divergence-free parts, physically corresponding to potential and stream functions of fluid. By embedding the HelmDynamics block into a Multiscale Multihead Integral Architecture, HelmFluid can integrate learned Helmholtz dynamics along temporal dimension in multiple spatial scales to yield future fluid. Compared with previous velocity estimating methods, HelmFluid is faithfully derived from Helmholtz theorem and ravels out complex fluid dynamics with physically interpretable evidence. Experimentally, HelmFluid achieves consistent state-of-the-art in both numerical simulated and real-world observed benchmarks, even for scenarios with complex boundaries.

Yang Shu, Zhangjie Cao, Ziyang Zhang et al.

Transfer learning aims to leverage knowledge from pre-trained models to benefit the target task. Prior transfer learning work mainly transfers from a single model. However, with the emergence of deep models pre-trained from different resources, model hubs consisting of diverse models with various architectures, pre-trained datasets and learning paradigms are available. Directly applying single-model transfer learning methods to each model wastes the abundant knowledge of the model hub and suffers from high computational cost. In this paper, we propose a Hub-Pathway framework to enable knowledge transfer from a model hub. The framework generates data-dependent pathway weights, based on which we assign the pathway routes at the input level to decide which pre-trained models are activated and passed through, and then set the pathway aggregation at the output level to aggregate the knowledge from different models to make predictions. The proposed framework can be trained end-to-end with the target task-specific loss, where it learns to explore better pathway configurations and exploit the knowledge in pre-trained models for each target datum. We utilize a noisy pathway generator and design an exploration loss to further explore different pathways throughout the model hub. To fully exploit the knowledge in pre-trained models, each model is further trained by specific data that activate it, which ensures its performance and enhances knowledge transfer. Experiment results on computer vision and reinforcement learning tasks demonstrate that the proposed Hub-Pathway framework achieves the state-of-the-art performance for model hub transfer learning.

Jinpeng Li, Zhongyi Pei, Huaze Xue et al.

Time-series foundation models (TSFMs) have achieved strong univariate forecasting through large-scale pre-training, yet effectively extending this success to multivariate forecasting remains challenging. To address this, we propose DualWeaver, a novel framework that adapts univariate TSFMs (Uni-TSFMs) for multivariate forecasting by using a pair of learnable, structurally symmetric surrogate series. Generated by a shared auxiliary feature-fusion module that captures cross-variable dependencies, these surrogates are mapped to TSFM-compatible series via the forecasting objective. The symmetric structure enables parameter-free reconstruction of final predictions directly from the surrogates, without additional parametric decoding. A theoretically grounded regularization term is further introduced to enhance robustness against adaptation collapse. Extensive experiments on diverse real-world datasets show that DualWeaver outperforms state-of-the-art multivariate forecasters in both accuracy and stability. We release the code at https://github.com/li-jinpeng/DualWeaver.

Yuxuan Wang, Haixu Wu, Jiaxiang Dong et al.

Deep models have demonstrated remarkable performance in time series forecasting. However, due to the partially-observed nature of real-world applications, solely focusing on the target of interest, so-called endogenous variables, is usually insufficient to guarantee accurate forecasting. Notably, a system is often recorded into multiple variables, where the exogenous variables can provide valuable external information for endogenous variables. Thus, unlike well-established multivariate or univariate forecasting paradigms that either treat all the variables equally or ignore exogenous information, this paper focuses on a more practical setting: time series forecasting with exogenous variables. We propose a novel approach, TimeXer, to ingest external information to enhance the forecasting of endogenous variables. With deftly designed embedding layers, TimeXer empowers the canonical Transformer with the ability to reconcile endogenous and exogenous information, where patch-wise self-attention and variate-wise cross-attention are used simultaneously. Moreover, global endogenous tokens are learned to effectively bridge the causal information underlying exogenous series into endogenous temporal patches. Experimentally, TimeXer achieves consistent state-of-the-art performance on twelve real-world forecasting benchmarks and exhibits notable generality and scalability. Code is available at this repository: https://github.com/thuml/TimeXer.

Haoran Zhang, Haixuan Liu, Yong Liu et al.

While generative modeling on time series facilitates more capable and flexible probabilistic forecasting, existing generative time series models do not address the multi-dimensional properties of time series data well. The prevalent architecture of Diffusion Transformers (DiT), which relies on simplistic conditioning controls and a single-stream Transformer backbone, tends to underutilize cross-variate dependencies in covariate-aware forecasting. Inspired by Multimodal Diffusion Transformers that integrate textual guidance into video generation, we propose Diffusion Transformers for Time Series (DiTS), a general-purpose architecture that frames endogenous and exogenous variates as distinct modalities. To better capture both inter-variate and intra-variate dependencies, we design a dual-stream Transformer block tailored for time-series data, comprising a Time Attention module for autoregressive modeling along the temporal dimension and a Variate Attention module for cross-variate modeling. Unlike the common approach for images, which flattens 2D token grids into 1D sequences, our design leverages the low-rank property inherent in multivariate dependencies, thereby reducing computational costs. Experiments show that DiTS achieves state-of-the-art performance across benchmarks, regardless of the presence of future exogenous variate observations, demonstrating unique generative forecasting strengths over traditional deterministic deep forecasting models.

Haixu Wu, Huakun Luo, Haowen Wang et al.

Transformers have empowered many milestones across various fields and have recently been applied to solve partial differential equations (PDEs). However, since PDEs are typically discretized into large-scale meshes with complex geometries, it is challenging for Transformers to capture intricate physical correlations directly from massive individual points. Going beyond superficial and unwieldy meshes, we present Transolver based on a more foundational idea, which is learning intrinsic physical states hidden behind discretized geometries. Specifically, we propose a new Physics-Attention to adaptively split the discretized domain into a series of learnable slices of flexible shapes, where mesh points under similar physical states will be ascribed to the same slice. By calculating attention to physics-aware tokens encoded from slices, Transovler can effectively capture intricate physical correlations under complex geometrics, which also empowers the solver with endogenetic geometry-general modeling capacity and can be efficiently computed in linear complexity. Transolver achieves consistent state-of-the-art with 22% relative gain across six standard benchmarks and also excels in large-scale industrial simulations, including car and airfoil designs. Code is available at https://github.com/thuml/Transolver.

Yong Liu, Haoran Zhang, Chenyu Li et al.

Deep learning has contributed remarkably to the advancement of time series analysis. Still, deep models can encounter performance bottlenecks in real-world data-scarce scenarios, which can be concealed due to the performance saturation with small models on current benchmarks. Meanwhile, large models have demonstrated great powers in these scenarios through large-scale pre-training. Continuous progress has been achieved with the emergence of large language models, exhibiting unprecedented abilities such as few-shot generalization, scalability, and task generality, which are however absent in small deep models. To change the status quo of training scenario-specific small models from scratch, this paper aims at the early development of large time series models (LTSM). During pre-training, we curate large-scale datasets with up to 1 billion time points, unify heterogeneous time series into single-series sequence (S3) format, and develop the GPT-style architecture toward LTSMs. To meet diverse application needs, we convert forecasting, imputation, and anomaly detection of time series into a unified generative task. The outcome of this study is a Time Series Transformer (Timer), which is generative pre-trained by next token prediction and adapted to various downstream tasks with promising capabilities as an LTSM. Code and datasets are available at: https://github.com/thuml/Large-Time-Series-Model.

Jiafeng Lin, Yuxuan Wang, Jialong Wu et al.

Large Language Models (LLMs) have demonstrated remarkable success in general-purpose reasoning. However, they still struggle to understand and reason about time series data, which limits their effectiveness in decision-making scenarios that depend on temporal dynamics. In this paper, we propose Thoth, the first family of mid-trained LLMs with general-purpose time series understanding capabilities. As a pivotal intermediate stage, mid-training achieves task- and domain-agnostic alignment between time series and natural language, for which we construct Book-of-Thoth, a high-quality, time-series-centric mid-training corpus. Book-of-Thoth enables both time-series-to-text and text-to-time-series generation, equipping LLMs with a foundational grasp of temporal patterns. To better evaluate advanced reasoning capabilities, we further present KnoTS, a novel benchmark of knowledge-intensive time series understanding, designed for joint reasoning over temporal patterns and domain knowledge. Extensive experiments demonstrate that mid-training with Book-of-Thoth enables Thoth to significantly outperform its base model and advanced LLMs across a range of time series question answering benchmarks. Moreover, Thoth exhibits superior capabilities when fine-tuned under data scarcity, underscoring the effectiveness of mid-training for time series understanding. Code is available at: https://github.com/thuml/Thoth.

Zhongyi Pei, Lin Liu, Chen Wang et al.

Today, many industrial processes are undergoing digital transformation, which often requires the integration of well-understood domain models and state-of-the-art machine learning technology in business processes. However, requirements elicitation and design decision making about when, where and how to embed various domain models and end-to-end machine learning techniques properly into a given business workflow requires further exploration. This paper aims to provide an overview of the requirements engineering process for machine learning applications in terms of cross domain collaborations. We first review the literature on requirements engineering for machine learning, and then go through the collaborative requirements analysis process step-by-step. An example case of industrial data-driven intelligence applications is also discussed in relation to the aforementioned steps.

Yutian Zhang, Zhongyi Pei, Yi Mao et al.

The widespread adoption of AI in industry is often hampered by its limited robustness when faced with scenarios absent from training data, leading to prediction bias and vulnerabilities. To address this, we propose a novel streaming inference pipeline that enhances data-driven models by explicitly incorporating prior knowledge. This paper presents the work on an industrial AI application that automatically counts excavator workloads from surveillance videos. Our approach integrates an object detection model with a Finite State Machine (FSM), which encodes knowledge of operational scenarios to guide and correct the AI's predictions on streaming data. In experiments on a real-world dataset of over 7,000 images from 12 site videos, encompassing more than 300 excavator workloads, our method demonstrates superior performance and greater robustness compared to the original solution based on manual heuristic rules. We will release the code at https://github.com/thulab/video-streamling-inference-pipeline.

Yong Liu, Guo Qin, Xiangdong Huang et al.

Foundation models of time series have not been fully developed due to the limited availability of time series corpora and the underexploration of scalable pre-training. Based on the similar sequential formulation of time series and natural language, increasing research demonstrates the feasibility of leveraging large language models (LLM) for time series. Nevertheless, the inherent autoregressive property and decoder-only architecture of LLMs have not been fully considered, resulting in insufficient utilization of LLM abilities. To fully revitalize the general-purpose token transition and multi-step generation capability of large language models, we propose AutoTimes to repurpose LLMs as autoregressive time series forecasters, which projects time series into the embedding space of language tokens and autoregressively generates future predictions with arbitrary lengths. Compatible with any decoder-only LLMs, the consequent forecaster exhibits the flexibility of the lookback length and scalability with larger LLMs. Further, we formulate time series as prompts, extending the context for prediction beyond the lookback window, termed in-context forecasting. By introducing LLM-embedded textual timestamps, AutoTimes can utilize chronological information to align multivariate time series. Empirically, AutoTimes achieves state-of-the-art with 0.1% trainable parameters and over $5\times$ training/inference speedup compared to advanced LLM-based forecasters. Code is available at this repository: https://github.com/thuml/AutoTimes.

Yong Liu, Guo Qin, Zhiyuan Shi et al.

We introduce Sundial, a family of native, flexible, and scalable time series foundation models. To predict the next-patch's distribution, we propose a TimeFlow Loss based on flow-matching, which facilitates native pre-training of Transformers on continuous-valued time series without discrete tokenization. Conditioned on arbitrary-length time series, our models are pre-trained without specifying any prior distribution and can generate multiple probable predictions, achieving more flexibility in representation learning than using parametric densities. Towards time series foundation models, we leverage minimal but crucial adaptations of Transformers and curate TimeBench with one trillion time points, comprising mostly real-world datasets and synthetic data. By mitigating mode collapse via TimeFlow Loss, we pre-train a family of Sundial models on TimeBench, which achieve unprecedented model capacity and generalization performance. In addition to excellent scalability, Sundial achieves state-of-the-art results on both point and probabilistic forecasting benchmarks with a just-in-time inference speed, i.e., making zero-shot predictions within a few milliseconds. We believe that Sundial's pioneering generative forecasting capability can improve model reliability in real-world decision-making. Code is available at: https://github.com/thuml/Sundial.

Haixu Wu, Huakun Luo, Yuezhou Ma et al.

Physics-informed neural networks (PINNs) have been widely applied to solve partial differential equations (PDEs) by enforcing outputs and gradients of deep models to satisfy target equations. Due to the limitation of numerical computation, PINNs are conventionally optimized on finite selected points. However, since PDEs are usually defined on continuous domains, solely optimizing models on scattered points may be insufficient to obtain an accurate solution for the whole domain. To mitigate this inherent deficiency of the default scatter-point optimization, this paper proposes and theoretically studies a new training paradigm as region optimization. Concretely, we propose to extend the optimization process of PINNs from isolated points to their continuous neighborhood regions, which can theoretically decrease the generalization error, especially for hidden high-order constraints of PDEs. A practical training algorithm, Region Optimized PINN (RoPINN), is seamlessly derived from this new paradigm, which is implemented by a straightforward but effective Monte Carlo sampling method. By calibrating the sampling process into trust regions, RoPINN finely balances optimization and generalization error. Experimentally, RoPINN consistently boosts the performance of diverse PINNs on a wide range of PDEs without extra backpropagation or gradient calculation. Code is available at this repository: https://github.com/thuml/RoPINN.

Xingzhuo Guo, Yu Zhang, Baixu Chen et al.

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong performance across various tasks and modalities, their application to temporal predictive learning remains underexplored. Existing approaches treat predictive learning as a conditional generation problem, but often fail to fully exploit the temporal dynamics inherent in the data, leading to challenges in generating temporally coherent sequences. To address this, we introduce Dynamical Diffusion (DyDiff), a theoretically sound framework that incorporates temporally aware forward and reverse processes. Dynamical Diffusion explicitly models temporal transitions at each diffusion step, establishing dependencies on preceding states to better capture temporal dynamics. Through the reparameterization trick, Dynamical Diffusion achieves efficient training and inference similar to any standard diffusion model. Extensive experiments across scientific spatiotemporal forecasting, video prediction, and time series forecasting demonstrate that Dynamical Diffusion consistently improves performance in temporal predictive tasks, filling a crucial gap in existing methodologies. Code is available at this repository: https://github.com/thuml/dynamical-diffusion.

Jiafeng Lin, Yuxuan Wang, Huakun Luo et al.

Multimodal time series forecasting has garnered significant attention for its potential to provide more accurate predictions than traditional single-modality models by leveraging rich information inherent in other modalities. However, due to fundamental challenges in modality alignment, existing methods often struggle to effectively incorporate multimodal data into predictions, particularly textual information that has a causal influence on time series fluctuations, such as emergency reports and policy announcements. In this paper, we reflect on the role of textual information in numerical forecasting and propose Time series transformers with Multimodal Mixture-of-Experts, TiMi, to unleash the causal reasoning capabilities of LLMs. Concretely, TiMi utilizes LLMs to generate inferences on future developments, which serve as guidance for time series forecasting. To seamlessly integrate both exogenous factors and time series into predictions, we introduce a Multimodal Mixture-of-Experts (MMoE) module as a lightweight plug-in to empower Transformer-based time series models for multimodal forecasting, eliminating the need for explicit representation-level alignment. Experimentally, our proposed TiMi demonstrates consistent state-of-the-art performance on sixteen real-world multimodal forecasting benchmarks, outperforming advanced baselines while offering both strong adaptability and interpretability.

Haixu Wu, Minghao Guo, Yuezhou Ma et al.

Attention with bias, which extends standard attention by introducing prior knowledge as an additive bias matrix to the query-key scores, has been widely deployed in vision, language, protein-folding and other advanced scientific models, underscoring its status as a key evolution of this foundational module. However, introducing bias terms creates a severe efficiency bottleneck in attention computation. It disrupts the tightly fused memory-compute pipeline that underlies the speed of accelerators like FlashAttention, thereby stripping away most of their performance gains and leaving biased attention computationally expensive. Surprisingly, despite its common usage, targeted efficiency optimization for attention with bias remains absent, which seriously hinders its application in complex tasks. Diving into the computation of FlashAttention, we prove that its optimal efficiency is determined by the rank of the attention weight matrix. Inspired by this theoretical result, this paper presents FlashBias based on the low-rank compressed sensing theory, which can provide fast-exact computation for many widely used attention biases and a fast-accurate approximation for biases in general formalizations. FlashBias can fully take advantage of the extremely optimized matrix multiplication operation in modern GPUs, achieving 1.5$\times$ speedup for Pairformer in AlphaFold 3, and over 2$\times$ speedup for attention with bias in vision and language models without loss of accuracy. Code is available at this repository: https://github.com/thuml/FlashBias.

Yuezhou Ma, Haixu Wu, Hang Zhou et al.

Physics sensing plays a central role in many scientific and engineering domains, which inherently involves two coupled tasks: reconstructing dense physical fields from sparse observations and optimizing scattered sensor placements to observe maximum information. While deep learning has made rapid advances in sparse-data reconstruction, existing methods generally omit optimization of sensor placements, leaving the mutual enhancement between reconstruction and placement on the shelf. To change this suboptimal practice, we propose PhySense, a synergistic two-stage framework that learns to jointly reconstruct physical fields and to optimize sensor placements, both aiming for accurate physics sensing. The first stage involves a flow-based generative model enhanced by cross-attention to adaptively fuse sparse observations. Leveraging the reconstruction feedback, the second stage performs sensor placement via projected gradient descent to satisfy spatial constraints. We further prove that the learning objectives of the two stages are consistent with classical variance-minimization principles, providing theoretical guarantees. Extensive experiments across three challenging benchmarks, especially a 3D geometry dataset, indicate PhySense achieves state-of-the-art physics sensing accuracy and discovers informative sensor placements previously unconsidered. Code is available at this repository: https://github.com/thuml/PhySense.

Kaichao You, Runsheng Bai, Meng Cao et al.

PyTorch \texttt{2.x} introduces a compiler designed to accelerate deep learning programs. However, for machine learning researchers, adapting to the PyTorch compiler to full potential can be challenging. The compiler operates at the Python bytecode level, making it appear as an opaque box. To address this, we introduce \texttt{depyf}, a tool designed to demystify the inner workings of the PyTorch compiler. \texttt{depyf} decompiles bytecode generated by PyTorch back into equivalent source code, and establishes connections between in-memory code objects and their on-disk source code counterparts. This feature enables users to step through the source code line by line using debuggers, thus enhancing their understanding of the underlying processes. Notably, \texttt{depyf} is non-intrusive and user-friendly, primarily relying on two convenient context managers for its core functionality. The project is \href{https://github.com/thuml/depyf}{ openly available} and is recognized as a \href{https://pytorch.org/ecosystem/}{PyTorch ecosystem project}.

Haixu Wu, Jialong Wu, Jiehui Xu et al.

Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling up to bigger models. Previous methods mainly utilize the similarity decomposition and the associativity of matrix multiplication to devise linear-time attention mechanisms. They avoid degeneration of attention to a trivial distribution by reintroducing inductive biases such as the locality, thereby at the expense of model generality and expressiveness. In this paper, we linearize Transformers free from specific inductive biases based on the flow network theory. We cast attention as the information flow aggregated from the sources (values) to the sinks (results) through the learned flow capacities (attentions). Within this framework, we apply the property of flow conservation into attention and propose the Flow-Attention mechanism of linear complexity. By respectively conserving the incoming flow of sinks for source competition and the outgoing flow of sources for sink allocation, Flow-Attention inherently generates informative attentions without using specific inductive biases. Empowered by the Flow-Attention, Flowformer yields strong performance in linear time for wide areas, including long sequence, time series, vision, natural language, and reinforcement learning. The code and settings are available at this repository: https://github.com/thuml/Flowformer.

Junguang Jiang, Yang Shu, Jianmin Wang et al.

The success of deep learning algorithms generally depends on large-scale data, while humans appear to have inherent ability of knowledge transfer, by recognizing and applying relevant knowledge from previous learning experiences when encountering and solving unseen tasks. Such an ability to acquire and reuse knowledge is known as transferability in deep learning. It has formed the long-term quest towards making deep learning as data-efficient as human learning, and has been motivating fruitful design of more powerful deep learning algorithms. We present this survey to connect different isolated areas in deep learning with their relation to transferability, and to provide a unified and complete view to investigating transferability through the whole lifecycle of deep learning. The survey elaborates the fundamental goals and challenges in parallel with the core principles and methods, covering recent cornerstones in deep architectures, pre-training, task adaptation and domain adaptation. This highlights unanswered questions on the appropriate objectives for learning transferable knowledge and for adapting the knowledge to new tasks and domains, avoiding catastrophic forgetting and negative transfer. Finally, we implement a benchmark and an open-source library, enabling a fair evaluation of deep learning methods in terms of transferability.

Haixu Wu, Jiehui Xu, Jianmin Wang et al.

Extending the forecasting time is a critical demand for real applications, such as extreme weather early warning and long-term energy consumption planning. This paper studies the long-term forecasting problem of time series. Prior Transformer-based models adopt various self-attention mechanisms to discover the long-range dependencies. However, intricate temporal patterns of the long-term future prohibit the model from finding reliable dependencies. Also, Transformers have to adopt the sparse versions of point-wise self-attentions for long series efficiency, resulting in the information utilization bottleneck. Going beyond Transformers, we design Autoformer as a novel decomposition architecture with an Auto-Correlation mechanism. We break with the pre-processing convention of series decomposition and renovate it as a basic inner block of deep models. This design empowers Autoformer with progressive decomposition capacities for complex time series. Further, inspired by the stochastic process theory, we design the Auto-Correlation mechanism based on the series periodicity, which conducts the dependencies discovery and representation aggregation at the sub-series level. Auto-Correlation outperforms self-attention in both efficiency and accuracy. In long-term forecasting, Autoformer yields state-of-the-art accuracy, with a 38% relative improvement on six benchmarks, covering five practical applications: energy, traffic, economics, weather and disease. Code is available at this repository: \url{https://github.com/thuml/Autoformer}.

Kaichao You, Yong Liu, Jianmin Wang et al.

This paper studies task adaptive pre-trained model selection, an underexplored problem of assessing pre-trained models for the target task and select best ones from the model zoo \emph{without fine-tuning}. A few pilot works addressed the problem in transferring supervised pre-trained models to classification tasks, but they cannot handle emerging unsupervised pre-trained models or regression tasks. In pursuit of a practical assessment method, we propose to estimate the maximum value of label evidence given features extracted by pre-trained models. Unlike the maximum likelihood, the maximum evidence is \emph{immune to over-fitting}, while its expensive computation can be dramatically reduced by our carefully designed algorithm. The Logarithm of Maximum Evidence (LogME) can be used to assess pre-trained models for transfer learning: a pre-trained model with a high LogME value is likely to have good transfer performance. LogME is \emph{fast, accurate, and general}, characterizing itself as the first practical method for assessing pre-trained models. Compared with brute-force fine-tuning, LogME brings at most $3000\times$ speedup in wall-clock time and requires only $1\%$ memory footprint. It outperforms prior methods by a large margin in their setting and is applicable to new settings. It is general enough for diverse pre-trained models (supervised pre-trained and unsupervised pre-trained), downstream tasks (classification and regression), and modalities (vision and language). Code is available at this repository: \href{https://github.com/thuml/LogME}{https://github.com/thuml/LogME}.

Ying Jin, Ximei Wang, Mingsheng Long et al.

There are a variety of Domain Adaptation (DA) scenarios subject to label sets and domain configurations, including closed-set and partial-set DA, as well as multi-source and multi-target DA. It is notable that existing DA methods are generally designed only for a specific scenario, and may underperform for scenarios they are not tailored to. To this end, this paper studies Versatile Domain Adaptation (VDA), where one method can handle several different DA scenarios without any modification. Towards this goal, a more general inductive bias other than the domain alignment should be explored. We delve into a missing piece of existing methods: class confusion, the tendency that a classifier confuses the predictions between the correct and ambiguous classes for target examples, which is common in different DA scenarios. We uncover that reducing such pairwise class confusion leads to significant transfer gains. With this insight, we propose a general loss function: Minimum Class Confusion (MCC). It can be characterized as (1) a non-adversarial DA method without explicitly deploying domain alignment, enjoying faster convergence speed; (2) a versatile approach that can handle four existing scenarios: Closed-Set, Partial-Set, Multi-Source, and Multi-Target DA, outperforming the state-of-the-art methods in these scenarios, especially on one of the largest and hardest datasets to date (7.3% on DomainNet). Its versatility is further justified by two scenarios proposed in this paper: Multi-Source Partial DA and Multi-Target Partial DA. In addition, it can also be used as a general regularizer that is orthogonal and complementary to a variety of existing DA methods, accelerating convergence and pushing these readily competitive methods to stronger ones. Code is available at https://github.com/thuml/Versatile-Domain-Adaptation.

Enya Shen, Zhidong Cao, Changqing Zou et al.

Network embedding aims to find a way to encode network by learning an embedding vector for each node in the network. The network often has property information which is highly informative with respect to the node's position and role in the network. Most network embedding methods fail to utilize this information during network representation learning. In this paper, we propose a novel framework, FANE, to integrate structure and property information in the network embedding process. In FANE, we design a network to unify heterogeneity of the two information sources, and define a new random walking strategy to leverage property information and make the two information compensate. FANE is conceptually simple and empirically powerful. It improves over the state-of-the-art methods on Cora dataset classification task by over 5%, more than 10% on WebKB dataset classification task. Experiments also show that the results improve more than the state-of-the-art methods as increasing training size. Moreover, qualitative visualization show that our framework is helpful in network property information exploration. In all, we present a new way for efficiently learning state-of-the-art task-independent representations in complex attributed networks. The source code and datasets of this paper can be obtained from https://github.com/GraphWorld/FANE.

Huakun Luo, Haixu Wu, Hang Zhou et al.

Although deep models have been widely explored in solving partial differential equations (PDEs), previous works are primarily limited to data only with up to tens of thousands of mesh points, far from the million-point scale required by industrial simulations that involve complex geometries. In the spirit of advancing neural PDE solvers to real industrial applications, we present Transolver++, a highly parallel and efficient neural solver that can accurately solve PDEs on million-scale geometries. Building upon previous advancements in solving PDEs by learning physical states via Transolver, Transolver++ is further equipped with an extremely optimized parallelism framework and a local adaptive mechanism to efficiently capture eidetic physical states from massive mesh points, successfully tackling the thorny challenges in computation and physics learning when scaling up input mesh size. Transolver++ increases the single-GPU input capacity to million-scale points for the first time and is capable of continuously scaling input size in linear complexity by increasing GPUs. Experimentally, Transolver++ yields 13% relative promotion across six standard PDE benchmarks and achieves over 20% performance gain in million-scale high-fidelity industrial simulations, whose sizes are 100$\times$ larger than previous benchmarks, covering car and 3D aircraft designs.

Jiaxiang Dong, Haixu Wu, Yuxuan Wang et al.

Time series pre-training has recently garnered wide attention for its potential to reduce labeling expenses and benefit various downstream tasks. Prior methods are mainly based on pre-training techniques well-acknowledged in vision or language, such as masked modeling and contrastive learning. However, randomly masking time series or calculating series-wise similarity will distort or neglect inherent temporal correlations crucial in time series data. To emphasize temporal correlation modeling, this paper proposes TimeSiam as a simple but effective self-supervised pre-training framework for Time series based on Siamese networks. Concretely, TimeSiam pre-trains Siamese encoders to capture intrinsic temporal correlations between randomly sampled past and current subseries. With a simple data augmentation method (e.g.~masking), TimeSiam can benefit from diverse augmented subseries and learn internal time-dependent representations through a past-to-current reconstruction. Moreover, learnable lineage embeddings are also introduced to distinguish temporal distance between sampled series and further foster the learning of diverse temporal correlations. TimeSiam consistently outperforms extensive advanced pre-training baselines, demonstrating superior forecasting and classification capabilities across 13 standard benchmarks in both intra- and cross-domain scenarios.

Haoran Zhang, Yong Liu, Yunzhong Qiu et al.

Time series analysis is crucial in diverse scenarios. Beyond forecasting, considerable real-world tasks are categorized into classification, imputation, and anomaly detection, underscoring different capabilities termed time series understanding in this paper. While GPT-style models have been positioned as foundation models for time series forecasting, the BERT-style architecture, which has made significant advances in natural language understanding, has not been fully unlocked for time series understanding, possibly attributed to the undesirable dropout of essential elements of BERT. In this paper, inspired by the shared multi-granularity structure between multivariate time series and multisentence documents, we design TimesBERT to learn generic representations of time series including temporal patterns and variate-centric characteristics. In addition to a natural adaptation of masked modeling, we propose a parallel task of functional token prediction to embody vital multi-granularity structures. Our model is pre-trained on 260 billion time points across diverse domains. Leveraging multi-granularity representations, TimesBERT achieves state-of-the-art performance across four typical downstream understanding tasks, outperforming task-specific models and language pre-trained backbones, positioning it as a versatile foundation model for time series understanding.

Anchang Bao, Enya Shen, Jianmin Wang

Monte Carlo PDE solvers have become increasingly popular for solving heat-related partial differential equations in geometry processing and computer graphics due to their robustness in handling complex geometries. While existing methods can handle Dirichlet, Neumann, and linear Robin boundary conditions, nonlinear boundary conditions arising from thermal radiation remain largely unexplored. In this paper, we introduce a Picard-style fixed-point iteration framework that enables Monte Carlo PDE solvers to handle nonlinear radiative boundary conditions. While strict theoretical convergence is not generally guaranteed, our method remains stable and empirically convergent with a properly chosen relaxation coefficient. Even with imprecise initial boundary estimates, it progressively approaches the correct solution. Compared to standard linearization strategies, the proposed approach achieves significantly higher accuracy. To further address the high variance inherent in Monte Carlo estimators, we propose a heteroscedastic regression-based denoising technique specifically designed for on-boundary solution estimates, filling a gap left by prior variance reduction methods that focus solely on interior points. We validate our approach through extensive evaluations on synthetic benchmarks and demonstrate its effectiveness on practical heat radiation simulations with complex geometries.

Yong Liu, Xingjian Su, Shiyu Wang et al.

We introduce Timer-S1, a strong Mixture-of-Experts (MoE) time series foundation model with 8.3B total parameters, 0.75B activated parameters for each token, and a context length of 11.5K. To overcome the scalability bottleneck in existing pre-trained time series foundation models, we perform Serial Scaling in three dimensions: model architecture, dataset, and training pipeline. Timer-S1 integrates sparse TimeMoE blocks and generic TimeSTP blocks for Serial-Token Prediction (STP), a generic training objective that adheres to the serial nature of forecasting. The proposed paradigm introduces serial computations to improve long-term predictions while avoiding costly rolling-style inference and pronounced error accumulation in the standard next-token prediction. Pursuing a high-quality and unbiased training dataset, we curate TimeBench, a corpus with one trillion time points, and apply meticulous data augmentation to mitigate predictive bias. We further pioneer a post-training stage, including continued pre-training and long-context extension, to enhance short-term and long-context performance. Evaluated on the large-scale GIFT-Eval leaderboard, Timer-S1 achieves state-of-the-art forecasting performance, attaining the best MASE and CRPS scores as a pre-trained model. Timer-S1 will be released to facilitate further research.

Peng Zhou, Jianmin Wang, Chunyan Li et al.

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a multi-constraint molecular generation large language model, TSMMG, which, akin to a student, incorporates knowledge from various small models and tools, namely, the 'teachers'. To train TSMMG, we construct a large set of text-molecule pairs by extracting molecular knowledge from these 'teachers', enabling it to generate novel molecules that conform to the descriptions through various text prompts. We experimentally show that TSMMG remarkably performs in generating molecules meeting complex, natural language-described property requirements across two-, three-, and four-constraint tasks, with an average molecular validity of over 99% and success ratio of 82.58%, 68.03%, and 67.48%, respectively. The model also exhibits adaptability through zero-shot testing, creating molecules that satisfy combinations of properties that have not been encountered. It can comprehend text inputs with various language styles, extending beyond the confines of outlined prompts, as confirmed through empirical validation. Additionally, the knowledge distillation feature of TSMMG contributes to the continuous enhancement of small models, while the innovative approach to dataset construction effectively addresses the issues of data scarcity and quality, which positions TSMMG as a promising tool in the domains of drug discovery and materials science.

Jincheng Zhong, Xiangcheng Zhang, Jianmin Wang et al.

Recent advancements in diffusion models have revolutionized generative modeling. However, the impressive and vivid outputs they produce often come at the cost of significant model scaling and increased computational demands. Consequently, building personalized diffusion models based on off-the-shelf models has emerged as an appealing alternative. In this paper, we introduce a novel perspective on conditional generation for transferring a pre-trained model. From this viewpoint, we propose *Domain Guidance*, a straightforward transfer approach that leverages pre-trained knowledge to guide the sampling process toward the target domain. Domain Guidance shares a formulation similar to advanced classifier-free guidance, facilitating better domain alignment and higher-quality generations. We provide both empirical and theoretical analyses of the mechanisms behind Domain Guidance. Our experimental results demonstrate its substantial effectiveness across various transfer benchmarks, achieving over a 19.6% improvement in FID and a 23.4% improvement in FD$_\text{DINOv2}$ compared to standard fine-tuning. Notably, existing fine-tuned models can seamlessly integrate Domain Guidance to leverage these benefits, without additional training.

Haixu Wu, Yuezhou Ma, Hang Zhou et al.

Physics-informed neural networks (PINNs) have earned high expectations in solving partial differential equations (PDEs), but their optimization usually faces thorny challenges due to the unique derivative-dependent loss function. By analyzing the loss distribution, previous research observed the propagation failure phenomenon of PINNs, intuitively described as the correct supervision for model outputs cannot ''propagate'' from initial states or boundaries to the interior domain. Going beyond intuitive understanding, this paper provides a formal and in-depth study of propagation failure and its root cause. Based on a detailed comparison with classical finite element methods, we ascribe the failure to the conventional single-point-processing architecture of PINNs and further prove that propagation failure is essentially caused by the lower gradient correlation of PINN models on nearby collocation points. Compared to superficial loss maps, this new perspective provides a more precise quantitative criterion to identify where and why PINN fails. The theoretical finding also inspires us to present a new PINN architecture, named ProPINN, which can effectively unite the gradients of region points for better propagation. ProPINN can reliably resolve PINN failure modes and significantly surpass advanced Transformer-based models with 46% relative promotion.

Qi An, Chihua Ying, Yuqing Zhu et al.

Data discovery in data lakes with ever increasing datasets has long been recognized as a big challenge in the realm of data management, especially for semantic search of and hierarchical global catalog generation of tables. While large language models (LLMs) facilitate the processing of data semantics, challenges remain in architecting an end-to-end system that comprehensively exploits LLMs for the two semantics-related tasks. In this demo, we propose LEDD, an end-to-end system with an extensible architecture that leverages LLMs to provide hierarchical global catalogs with semantic meanings and semantic table search for data lakes. Specifically, LEDD can return semantically related tables based on natural-language specification. These features make LEDD an ideal foundation for downstream tasks such as model training and schema linking for text-to-SQL tasks. LEDD also provides a simple Python interface to facilitate the extension and the replacement of data discovery algorithms.

Yuxuan Wang, Haixu Wu, Yuezhou Ma et al.

Deep time series forecasting has emerged as a booming direction in recent years. Despite the exponential growth of community interests, researchers are sometimes confused about the direction of their efforts due to minor improvements on standard benchmarks. In this paper, we notice that, unlike image recognition, whose well-acknowledged and realizable goal is 100% accuracy, time series forecasting inherently faces a non-zero error lower bound due to its partially observable and uncertain nature. To pinpoint the research objective and release researchers from saturated tasks, this paper focuses on a fundamental question: how to estimate the performance upper bound of deep time series forecasting? Going beyond classical series-wise predictability metrics, e.g., ADF test, we realize that the forecasting performance is highly related to window-wise properties because of the sequence-to-sequence forecasting paradigm of deep time series models. Based on rigorous statistical tests of over 2,800 newly trained deep forecasters, we discover a significant exponential relationship between the minimum forecasting error of deep models and the complexity of window-wise series patterns, which is termed the accuracy law. The proposed accuracy law successfully guides us to identify saturated tasks from widely used benchmarks and derives an effective training strategy for large time series models, offering valuable insights for future research.

Chaoyi Deng, Jialong Wu, Ningya Feng et al. · tsinghua

Effective code optimization in compilers is crucial for computer and software engineering. The success of these optimizations primarily depends on the selection and ordering of the optimization passes applied to the code. While most compilers rely on a fixed sequence of optimization passes, current methods to find the optimal sequence either employ impractically slow search algorithms or learning methods that struggle to generalize to code unseen during training. We introduce CompilerDream, a model-based reinforcement learning approach to general code optimization. CompilerDream comprises a compiler world model that accurately simulates the intrinsic properties of optimization passes and an agent trained on this model to produce effective optimization strategies. By training on a large-scale program dataset, CompilerDream is equipped to serve as a general code optimizer across various application scenarios and source-code languages. Our extensive experiments first highlight CompilerDream's strong optimization capabilities for autotuning, where it leads the CompilerGym leaderboard. More importantly, the zero-shot generalization ability of large-scale trained compiler world model and agent, excels across diverse datasets, surpassing LLVM's built-in optimizations and other state-of-the-art methods in both settings of value prediction and end-to-end code optimization.

Kenny Ye Liang, Zhongyi Pei, Huan Zhang et al.

While RAG has greatly enhanced LLMs, extending this paradigm to Time-Series Foundation Models (TSFMs) remains a challenge. This is exemplified in the Predictive Maintenance of the Pressure Regulating and Shut-Off Valve (PRSOV), a high-stakes industrial scenario characterized by (1) data scarcity, (2) short transient sequences, and (3) covariate coupled dynamics. Unfortunately, existing time-series RAG approaches predominantly rely on generated static vector embeddings and learnable context augmenters, which may fail to distinguish similar regimes in such scarce, transient, and covariate coupled scenarios. To address these limitations, we propose RAG4CTS, a regime-aware, training-free RAG framework for Covariate Time-Series. Specifically, we construct a hierarchal time-series native knowledge base to enable lossless storage and physics-informed retrieval of raw historical regimes. We design a two-stage bi-weighted retrieval mechanism that aligns historical trends through point-wise and multivariate similarities. For context augmentation, we introduce an agent-driven strategy to dynamically optimize context in a self-supervised manner. Extensive experiments on PRSOV demonstrate that our framework significantly outperforms state-of-the-art baselines in prediction accuracy. The proposed system is deployed in Apache IoTDB within China Southern Airlines. Since deployment, our method has successfully identified one PRSOV fault in two months with zero false alarm.

Yuqin He, Tengfei Ma, Chaoyi Li et al.

To mitigate the potential adverse health effects of simultaneous multi-drug use, including unexpected side effects and interactions, accurately identifying and predicting drug-drug interactions (DDIs) is considered a crucial task in the field of deep learning. Although existing methods have demonstrated promising performance, they suffer from the bottleneck of limited functional motif-based representation learning, as DDIs are fundamentally caused by motif interactions rather than the overall drug structures. In this paper, we propose an Image-enhanced molecular motif sequence representation framework for \textbf{DDI} prediction, called ImageDDI, which represents a pair of drugs from both global and local structures. Specifically, ImageDDI tokenizes molecules into functional motifs. To effectively represent a drug pair, their motifs are combined into a single sequence and embedded using a transformer-based encoder, starting from the local structure representation. By leveraging the associations between drug pairs, ImageDDI further enhances the spatial representation of molecules using global molecular image information (e.g. texture, shadow, color, and planar spatial relationships). To integrate molecular visual information into functional motif sequence, ImageDDI employs Adaptive Feature Fusion, enhancing the generalization of ImageDDI by dynamically adapting the fusion process of feature representations. Experimental results on widely used datasets demonstrate that ImageDDI outperforms state-of-the-art methods. Moreover, extensive experiments show that ImageDDI achieved competitive performance in both 2D and 3D image-enhanced scenarios compared to other models.

Kaiyuan Chen, Xingzhuo Guo, Yu Zhang et al.

Predictive Coding (PC) is a theoretical framework in cognitive science suggesting that the human brain processes cognition through spatiotemporal prediction of the visual world. Existing studies have developed spatiotemporal prediction neural networks based on the PC theory, emulating its two core mechanisms: Correcting predictions from residuals and hierarchical learning. However, these models do not show the enhancement of prediction skills on real-world forecasting tasks and ignore the Precision Weighting mechanism of PC theory. The precision weighting mechanism posits that the brain allocates more attention to signals with lower precision, contributing to the cognitive ability of human brains. This work introduces the Cognitive Diffusion Probabilistic Models (CogDPM), which demonstrate the connection between diffusion probabilistic models and PC theory. CogDPM features a precision estimation method based on the hierarchical sampling capabilities of diffusion models and weight the guidance with precision weights estimated by the inherent property of diffusion models. We experimentally show that the precision weights effectively estimate the data predictability. We apply CogDPM to real-world prediction tasks using the United Kindom precipitation and ERA surface wind datasets. Our results demonstrate that CogDPM outperforms both existing domain-specific operational models and general deep prediction models by providing more proficient forecasting.

Hang Zhou, Haixu Wu, Haonan Shangguan et al.

Deep learning has emerged as a transformative tool for the neural surrogate modeling of partial differential equations (PDEs), known as neural PDE solvers. However, scaling these solvers to industrial-scale geometries with over $10^8$ cells remains a fundamental challenge due to the prohibitive memory complexity of processing high-resolution meshes. We present Transolver-3, a new member of the Transolver family as a highly scalable framework designed for high-fidelity physics simulations. To bridge the gap between limited GPU capacity and the resolution requirements of complex engineering tasks, we introduce two key architectural optimizations: faster slice and deslice by exploiting matrix multiplication associative property and geometry slice tiling to partition the computation of physical states. Combined with an amortized training strategy by learning on random subsets of original high-resolution meshes and a physical state caching technique during inference, Transolver-3 enables high-fidelity field prediction on industrial-scale meshes. Extensive experiments demonstrate that Transolver-3 is capable of handling meshes with over 160 million cells, achieving impressive performance across three challenging simulation benchmarks, including aircraft and automotive design tasks.

Jiafeng Lin, Mengren Zheng, Simeng Ye et al.

Time series forecasting has witnessed an increasing demand across diverse industrial applications, where accurate predictions are pivotal for informed decision-making. Beyond numerical time series data, reliable forecasting in practical scenarios requires integrating diverse exogenous factors. Such exogenous information is often multi-dimensional or even multimodal, introducing heterogeneous interactions that unimodal time series models struggle to capture. In this paper, we delve into an aviation maintenance scenario and identify three distinct types of exogenous factors that influence temporal dynamics through distinct interaction modes. Based on this empirical insight, we propose Aura, a universal framework that explicitly organizes and encodes heterogeneous external information according to its interaction mode with the target time series. Specifically, Aura utilizes a tailored tripartite encoding mechanism to embed heterogeneous features into well-established time series models, ensuring seamless integration of non-sequential context. Extensive experiments on a large-scale, three-year industrial dataset from China Southern Airlines, covering the Boeing 777 and Airbus A320 fleets, demonstrate that Aura consistently achieves state-of-the-art performance across all baselines and exhibits superior adaptability. Our findings highlight Aura's potential as a general-purpose enhancement for aviation safety and reliability.

Guo Qin, Zhi Chen, Yong Liu et al.

Time Series Foundation Models (TSFMs) have shown significant impact through their model capacity, scalability, and zero-shot generalization. However, due to the heterogeneity of inter-variate dependencies and the backbone scalability on large-scale multivariate datasets, most TSFMs are typically pre-trained on univariate time series. This limitation renders them oblivious to crucial information from diverse covariates in real-world forecasting tasks. To further enhance the performance of TSFMs, we propose a general covariate-aware adaptation (CoRA) framework for TSFMs. It leverages pre-trained backbones of foundation models while effectively incorporating exogenous covariates from various modalities, including time series, language, and images, to improve the quality of predictions. Technically, CoRA maintains the equivalence of initialization and parameter consistency during adaptation. With preserved backbones of foundation models as frozen feature extractors, the outcome embeddings from foundation models are empirically demonstrated more informative than raw data. Further, CoRA employs a novel Granger Causality Embedding (GCE) to automatically evaluate covariates regarding their causal predictability with respect to the target variate. We incorporate these weighted embeddings with a zero-initialized condition-injection mechanism, avoiding catastrophic forgetting of pre-trained foundation models and gradually integrates exogenous information. Extensive experiments show that CoRA of TSFMs surpasses state-of-the-art covariate-aware deep forecasters with full or few-shot training samples, achieving 31.1% MSE reduction on covariate-aware forecasting. Compared to other adaptation methods, CoRA exhibits strong compatibility with various advanced TSFMs and extends the scope of covariates to other modalities, presenting a practical paradigm for the application of TSFMs.