Multi-Track Multimodal Learning on iMiGUE: Micro-Gesture and Emotion Recognition

Micro-gesture recognition and behavior-based emotion prediction are both highly challenging tasks that require modeling subtle, fine-grained human behaviors, primarily leveraging video and skeletal pose data. In this work, we present two multimodal frameworks designed to tackle both problems on the iMiGUE dataset. For micro-gesture classification, we explore the complementary strengths of RGB and 3D pose-based representations to capture nuanced spatio-temporal patterns. To comprehensively represent gestures, video, and skeletal embeddings are extracted using MViTv2-S and 2s-AGCN, respectively. Then, they are integrated through a Cross-Modal Token Fusion module to combine spatial and pose information. For emotion recognition, our framework extends to behavior-based emotion prediction, a binary classification task identifying emotional states based on visual cues. We leverage facial and contextual embeddings extracted using SwinFace and MViTv2-S models and fuse them through an InterFusion module designed to capture emotional expressions and body gestures. Experiments conducted on the iMiGUE dataset, within the scope of the MiGA 2025 Challenge, demonstrate the robust performance and accuracy of our method in the behavior-based emotion prediction task, where our approach secured 2nd place.

Topological Metric for Unsupervised Embedding Quality Evaluation

Modern representation learning increasingly relies on unsupervised and self-supervised methods trained on large-scale unlabeled data. While these approaches achieve impressive generalization across tasks and domains, evaluating embedding quality without labels remains an open challenge. In this work, we propose Persistence, a topology-aware metric based on persistent homology that quantifies the geometric structure and topological richness of embedding spaces in a fully unsupervised manner. Unlike metrics that assume linear separability or rely on covariance structure, Persistence captures global and multi-scale organization. Empirical results across diverse domains show that Persistence consistently achieves top-tier correlations with downstream performance, outperforming existing unsupervised metrics and enabling reliable model and hyperparameter selection.

MADD: Multi-Agent Drug Discovery Orchestra

Hit identification is a central challenge in early drug discovery, traditionally requiring substantial experimental resources. Recent advances in artificial intelligence, particularly large language models (LLMs), have enabled virtual screening methods that reduce costs and improve efficiency. However, the growing complexity of these tools has limited their accessibility to wet-lab researchers. Multi-agent systems offer a promising solution by combining the interpretability of LLMs with the precision of specialized models and tools. In this work, we present MADD, a multi-agent system that builds and executes customized hit identification pipelines from natural language queries. MADD employs four coordinated agents to handle key subtasks in de novo compound generation and screening. We evaluate MADD across seven drug discovery cases and demonstrate its superior performance compared to existing LLM-based solutions. Using MADD, we pioneer the application of AI-first drug design to five biological targets and release the identified hit molecules. Finally, we introduce a new benchmark of query-molecule pairs and docking scores for over three million compounds to contribute to the agentic future of drug design.

HN-MVTS: HyperNetwork-based Multivariate Time Series Forecasting

Accurate forecasting of multivariate time series data remains a formidable challenge, particularly due to the growing complexity of temporal dependencies in real-world scenarios. While neural network-based models have achieved notable success in this domain, complex channel-dependent models often suffer from performance degradation compared to channel-independent models that do not consider the relationship between components but provide high robustness due to small capacity. In this work, we propose HN-MVTS, a novel architecture that integrates a hypernetwork-based generative prior with an arbitrary neural network forecasting model. The input of this hypernetwork is a learnable embedding matrix of time series components. To restrict the number of new parameters, the hypernetwork learns to generate the weights of the last layer of the target forecasting networks, serving as a data-adaptive regularizer that improves generalization and long-range predictive accuracy. The hypernetwork is used only during the training, so it does not increase the inference time compared to the base forecasting model. Extensive experiments on eight benchmark datasets demonstrate that application of HN-MVTS to the state-of-the-art models (DLinear, PatchTST, TSMixer, etc.) typically improves their performance. Our findings suggest that hypernetwork-driven parameterization offers a promising direction for enhancing existing forecasting techniques in complex scenarios.

Automated Evolutionary Optimization for Resource-Efficient Neural Network Training

There are many critical challenges in optimizing neural network models, including distributed computing, compression techniques, and efficient training, regardless of their application to specific tasks. Solving such problems is crucial because the need for scalable and resource-efficient models is increasing. To address these challenges, we have developed a new automated machine learning (AutoML) framework, Parameter Efficient Training with Robust Automation (PETRA). It applies evolutionary optimization to model architecture and training strategy. PETRA includes pruning, quantization, and loss regularization. Experimental studies on real-world data with financial event sequences, as well as image and time-series -- benchmarks, demonstrate PETRA's ability to improve neural model performance and scalability -- namely, a significant decrease in model size (up to 75%) and latency (up to 33%), and an increase in throughput (by 13%) without noticeable degradation in the target metric.

Tsururu: A Python-based Time Series Forecasting Strategies Library

While current time series research focuses on developing new models, crucial questions of selecting an optimal approach for training such models are underexplored. Tsururu, a Python library introduced in this paper, bridges SoTA research and industry by enabling flexible combinations of global and multivariate approaches and multi-step-ahead forecasting strategies. It also enables seamless integration with various forecasting models. Available at https://github.com/sb-ai-lab/tsururu .

Gaze into the Heart: A Multi-View Video Dataset for rPPG and Health Biomarkers Estimation

Progress in remote PhotoPlethysmoGraphy (rPPG) is limited by the critical issues of existing publicly available datasets: small size, privacy concerns with facial videos, and lack of diversity in conditions. The paper introduces a novel comprehensive large-scale multi-view video dataset for rPPG and health biomarkers estimation. Our dataset comprises 3600 synchronized video recordings from 600 subjects, captured under varied conditions (resting and post-exercise) using multiple consumer-grade cameras at different angles. To enable multimodal analysis of physiological states, each recording is paired with a 100 Hz PPG signal and extended health metrics, such as electrocardiogram, arterial blood pressure, biomarkers, temperature, oxygen saturation, respiratory rate, and stress level. Using this data, we train an efficient rPPG model and compare its quality with existing approaches in cross-dataset scenarios. The public release of our dataset and model should significantly speed up the progress in the development of AI medical assistants.

Hallucination Detection in LLMs via Topological Divergence on Attention Graphs

Hallucination, i.e., generating factually incorrect content, remains a critical challenge for large language models (LLMs). We introduce TOHA, a TOpology-based HAllucination detector in the RAG setting, which leverages a topological divergence metric to quantify the structural properties of graphs induced by attention matrices. Examining the topological divergence between prompt and response subgraphs reveals consistent patterns: higher divergence values in specific attention heads correlate with hallucinated outputs, independent of the dataset. Extensive experiments, including evaluation on question answering and data-to-text tasks, show that our approach achieves state-of-the-art or competitive results on several benchmarks, two of which were annotated by us and are being publicly released to facilitate further research. Beyond its strong in-domain performance, TOHA maintains remarkable domain transferability across multiple open-source LLMs. Our findings suggest that analyzing the topological structure of attention matrices can serve as an efficient and robust indicator of factual reliability in LLMs.

Simplicial SMOTE: Oversampling Solution to the Imbalanced Learning Problem

SMOTE (Synthetic Minority Oversampling Technique) is the established geometric approach to random oversampling to balance classes in the imbalanced learning problem, followed by many extensions. Its idea is to introduce synthetic data points of the minor class, with each new point being the convex combination of an existing data point and one of its k-nearest neighbors. In this paper, by viewing SMOTE as sampling from the edges of a geometric neighborhood graph and borrowing tools from the topological data analysis, we propose a novel technique, Simplicial SMOTE, that samples from the simplices of a geometric neighborhood simplicial complex. A new synthetic point is defined by the barycentric coordinates w.r.t. a simplex spanned by an arbitrary number of data points being sufficiently close rather than a pair. Such a replacement of the geometric data model results in better coverage of the underlying data distribution compared to existing geometric sampling methods and allows the generation of synthetic points of the minority class closer to the majority class on the decision boundary. We experimentally demonstrate that our Simplicial SMOTE outperforms several popular geometric sampling methods, including the original SMOTE. Moreover, we show that simplicial sampling can be easily integrated into existing SMOTE extensions. We generalize and evaluate simplicial extensions of the classic Borderline SMOTE, Safe-level SMOTE, and ADASYN algorithms, all of which outperform their graph-based counterparts.

LLM-KT: A Versatile Framework for Knowledge Transfer from Large Language Models to Collaborative Filtering

We present LLM-KT, a flexible framework designed to enhance collaborative filtering (CF) models by seamlessly integrating LLM (Large Language Model)-generated features. Unlike existing methods that rely on passing LLM-generated features as direct inputs, our framework injects these features into an intermediate layer of any CF model, allowing the model to reconstruct and leverage the embeddings internally. This model-agnostic approach works with a wide range of CF models without requiring architectural changes, making it adaptable to various recommendation scenarios. Our framework is built for easy integration and modification, providing researchers and developers with a powerful tool for extending CF model capabilities through efficient knowledge transfer. We demonstrate its effectiveness through experiments on the MovieLens and Amazon datasets, where it consistently improves baseline CF models. Experimental studies showed that LLM-KT is competitive with the state-of-the-art methods in context-aware settings but can be applied to a broader range of CF models than current approaches.