Abstract:Machine Unlearning (MU) enables Large Language Models (LLMs) to remove unsafe or outdated information. However, existing work assumes that all facts are equally forgettable and largely ignores whether the forgotten knowledge originates from pretraining or supervised fine-tuning (SFT). In this paper, we introduce DUAL (Dual Unlearning Evaluation across Training Stages), a benchmark of 28.6k Wikidata-derived triplets annotated with fact popularity using Wikipedia link counts and LLM-based salience scores. Our experiments show that pretrained and SFT models respond differently to unlearning. An SFT step on the forget data yields smoother forgetting, more stable tuning, and 10-50% higher retention, while direct unlearning on pretrained models remains unstable and prone to relearning or catastrophic forgetting.
Abstract:The objective of Vertical Federated Learning (VFL) is to collectively train a model using features available on different devices while sharing the same users. This paper focuses on the saddle point reformulation of the VFL problem via the classical Lagrangian function. We first demonstrate how this formulation can be solved using deterministic methods. More importantly, we explore various stochastic modifications to adapt to practical scenarios, such as employing compression techniques for efficient information transmission, enabling partial participation for asynchronous communication, and utilizing coordinate selection for faster local computation. We show that the saddle point reformulation plays a key role and opens up possibilities to use mentioned extension that seem to be impossible in the standard minimization formulation. Convergence estimates are provided for each algorithm, demonstrating their effectiveness in addressing the VFL problem. Additionally, alternative reformulations are investigated, and numerical experiments are conducted to validate performance and effectiveness of the proposed approach.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.




Abstract: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 .
Abstract: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.
Abstract: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.