Abstract:Video Question Answering (VideoQA) is a complex video-language task that demands a sophisticated understanding of both visual content and temporal dynamics. Traditional Transformer-style architectures, while effective in integrating multimodal data, often simplify temporal dynamics through positional encoding and fail to capture non-linear interactions within video sequences. In this paper, we introduce the Temporal Trio Transformer (T3T), a novel architecture that models time consistency and time variability. The T3T integrates three key components: Temporal Smoothing (TS), Temporal Difference (TD), and Temporal Fusion (TF). The TS module employs Brownian Bridge for capturing smooth, continuous temporal transitions, while the TD module identifies and encodes significant temporal variations and abrupt changes within the video content. Subsequently, the TF module synthesizes these temporal features with textual cues, facilitating a deeper contextual understanding and response accuracy. The efficacy of the T3T is demonstrated through extensive testing on multiple VideoQA benchmark datasets. Our results underscore the importance of a nuanced approach to temporal modeling in improving the accuracy and depth of video-based question answering.
Abstract:Predicting future events stands as one of the ultimate aspirations of artificial intelligence. Recent advances in large language model (LLM)-based systems have shown remarkable potential in forecasting future events, thereby garnering significant interest in the research community. Currently, several benchmarks have been established to evaluate the forecasting capabilities by formalizing the event prediction as a retrieval-augmented generation (RAG) and reasoning task. In these benchmarks, each prediction question is answered with relevant retrieved news articles. However, because there is no consideration on whether the questions can be supported by valid or sufficient supporting rationales, some of the questions in these benchmarks may be inherently noninferable. To address this issue, we introduce a new benchmark, PROPHET, which comprises inferable forecasting questions paired with relevant news for retrieval. To ensure the inferability of the benchmark, we propose Causal Intervened Likelihood (CIL), a statistical measure that assesses inferability through causal inference. In constructing this benchmark, we first collected recent trend forecasting questions and then filtered the data using CIL, resulting in an inferable benchmark for event prediction. Through extensive experiments, we first demonstrate the validity of CIL and in-depth investigations into event prediction with the aid of CIL. Subsequently, we evaluate several representative prediction systems on PROPHET, drawing valuable insights for future directions.
Abstract:Co-speech gesture generation enhances human-computer interaction realism through speech-synchronized gesture synthesis. However, generating semantically meaningful gestures remains a challenging problem. We propose SARGes, a novel framework that leverages large language models (LLMs) to parse speech content and generate reliable semantic gesture labels, which subsequently guide the synthesis of meaningful co-speech gestures.First, we constructed a comprehensive co-speech gesture ethogram and developed an LLM-based intent chain reasoning mechanism that systematically parses and decomposes gesture semantics into structured inference steps following ethogram criteria, effectively guiding LLMs to generate context-aware gesture labels. Subsequently, we constructed an intent chain-annotated text-to-gesture label dataset and trained a lightweight gesture label generation model, which then guides the generation of credible and semantically coherent co-speech gestures. Experimental results demonstrate that SARGes achieves highly semantically-aligned gesture labeling (50.2% accuracy) with efficient single-pass inference (0.4 seconds). The proposed method provides an interpretable intent reasoning pathway for semantic gesture synthesis.
Abstract:Medical time series (MedTS) classification is crucial for improved diagnosis in healthcare, and yet it is challenging due to the varying granularity of patterns, intricate inter-channel correlation, information redundancy, and label scarcity. While existing transformer-based models have shown promise in time series analysis, they mainly focus on forecasting and fail to fully exploit the distinctive characteristics of MedTS data. In this paper, we introduce Sparseformer, a transformer specifically designed for MedTS classification. We propose a sparse token-based dual-attention mechanism that enables global modeling and token compression, allowing dynamic focus on the most informative tokens while distilling redundant features. This mechanism is then applied to the multi-granularity, cross-channel encoding of medical signals, capturing intra- and inter-granularity correlations and inter-channel connections. The sparsification design allows our model to handle heterogeneous inputs of varying lengths and channels directly. Further, we introduce an adaptive label encoder to address label space misalignment across datasets, equipping our model with cross-dataset transferability to alleviate the medical label scarcity issue. Our model outperforms 12 baselines across seven medical datasets under supervised learning. In the few-shot learning experiments, our model also achieves superior average results. In addition, the in-domain and cross-domain experiments among three diagnostic scenarios demonstrate our model's zero-shot learning capability. Collectively, these findings underscore the robustness and transferability of our model in various medical applications.
Abstract:Graph learning plays a vital role in mining and analyzing complex relationships involved in graph data, which is widely used in many real-world applications like transaction networks and communication networks. Foundation models in CV and NLP have shown powerful cross-domain capabilities that are also significant in graph domains. However, existing graph learning approaches struggle with cross-domain tasks. Inspired by successes in CV and NLP, cross-domain graph learning has once again become a focal point of attention to realizing true graph foundation models. In this survey, we present a comprehensive review and analysis of existing works on cross-domain graph learning. Concretely, we first propose a new taxonomy, categorizing existing approaches based on the learned cross-domain information: structure, feature, and structure-feature mixture. Next, we systematically survey representative methods in these categories. Finally, we discuss the remaining limitations of existing studies and highlight promising avenues for future research. Relevant papers are summarized and will be consistently updated at: https://github.com/cshhzhao/Awesome-Cross-Domain-Graph-Learning.
Abstract:Exploring chemical space to find novel molecules that simultaneously satisfy multiple properties is crucial in drug discovery. However, existing methods often struggle with trading off multiple properties due to the conflicting or correlated nature of chemical properties. To tackle this issue, we introduce InversionGNN framework, an effective yet sample-efficient dual-path graph neural network (GNN) for multi-objective drug discovery. In the direct prediction path of InversionGNN, we train the model for multi-property prediction to acquire knowledge of the optimal combination of functional groups. Then the learned chemical knowledge helps the inversion generation path to generate molecules with required properties. In order to decode the complex knowledge of multiple properties in the inversion path, we propose a gradient-based Pareto search method to balance conflicting properties and generate Pareto optimal molecules. Additionally, InversionGNN is able to search the full Pareto front approximately in discrete chemical space. Comprehensive experimental evaluations show that InversionGNN is both effective and sample-efficient in various discrete multi-objective settings including drug discovery.
Abstract:The rise of foundation models has revolutionized natural language processing and computer vision, yet their best practices to time series forecasting remains underexplored. Existing time series foundation models often adopt methodologies from these fields without addressing the unique characteristics of time series data. In this paper, we identify two key challenges in cross-domain time series forecasting: the complexity of temporal patterns and semantic misalignment. To tackle these issues, we propose the ``Unify and Anchor" transfer paradigm, which disentangles frequency components for a unified perspective and incorporates external context as domain anchors for guided adaptation. Based on this framework, we introduce ContexTST, a Transformer-based model that employs a time series coordinator for structured representation and the Transformer blocks with a context-informed mixture-of-experts mechanism for effective cross-domain generalization. Extensive experiments demonstrate that ContexTST advances state-of-the-art forecasting performance while achieving strong zero-shot transferability across diverse domains.
Abstract:Effective generation of molecular structures, or new chemical entities, that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite advancements in atom- and motif-wise deep learning models for 3D molecular generation, current methods often struggle with validity and reliability. To address these issues, we develop the Atom-Motif Consistency Diffusion Model (AMDiff), utilizing a joint-training paradigm for multi-view learning. This model features a hierarchical diffusion architecture that integrates both atom- and motif-level views of molecules, allowing for comprehensive exploration of complementary information. By leveraging classifier-free guidance and incorporating binding site features as conditional inputs, AMDiff ensures robust molecule generation across diverse targets. Compared to existing approaches, AMDiff exhibits superior validity and novelty in generating molecules tailored to fit various protein pockets. Case studies targeting protein kinases, including Anaplastic Lymphoma Kinase (ALK) and Cyclin-dependent kinase 4 (CDK4), demonstrate the model's capability in structure-based de novo drug design. Overall, AMDiff bridges the gap between atom-view and motif-view drug discovery and speeds up the process of target-aware molecular generation.
Abstract:Periodicity, as one of the most important basic characteristics, lays the foundation for facilitating structured knowledge acquisition and systematic cognitive processes within human learning paradigms. However, the potential flaws of periodicity modeling in Transformer affect the learning efficiency and establishment of underlying principles from data for large language models (LLMs) built upon it. In this paper, we demonstrate that integrating effective periodicity modeling can improve the learning efficiency and performance of LLMs. We introduce FANformer, which integrates Fourier Analysis Network (FAN) into attention mechanism to achieve efficient periodicity modeling, by modifying the feature projection process of attention mechanism. Extensive experimental results on language modeling show that FANformer consistently outperforms Transformer when scaling up model size and training tokens, underscoring its superior learning efficiency. To further validate the effectiveness of FANformer, we pretrain a FANformer-1B on 1 trillion tokens. FANformer-1B exhibits marked improvements on downstream tasks compared to open-source LLMs with similar model parameters or training tokens. The results position FANformer as an effective and promising architecture for advancing LLMs.
Abstract:Accurate Subseasonal-to-Seasonal (S2S) climate forecasting is pivotal for decision-making including agriculture planning and disaster preparedness but is known to be challenging due to its chaotic nature. Although recent data-driven models have shown promising results, their performance is limited by inadequate consideration of geometric inductive biases. Usually, they treat the spherical weather data as planar images, resulting in an inaccurate representation of locations and spatial relations. In this work, we propose the geometric-inspired Circular Transformer (CirT) to model the cyclic characteristic of the graticule, consisting of two key designs: (1) Decomposing the weather data by latitude into circular patches that serve as input tokens to the Transformer; (2) Leveraging Fourier transform in self-attention to capture the global information and model the spatial periodicity. Extensive experiments on the Earth Reanalysis 5 (ERA5) reanalysis dataset demonstrate our model yields a significant improvement over the advanced data-driven models, including PanguWeather and GraphCast, as well as skillful ECMWF systems. Additionally, we empirically show the effectiveness of our model designs and high-quality prediction over spatial and temporal dimensions.