Binary Cumulative Encoding meets Time Series Forecasting

Recent studies in time series forecasting have explored formulating regression via classification task. By discretizing the continuous target space into bins and predicting over a fixed set of classes, these approaches benefit from stable training, robust uncertainty modeling, and compatibility with modern deep learning architectures. However, most existing methods rely on one-hot encoding that ignores the inherent ordinal structure of the underlying values. As a result, they fail to provide information about the relative distance between predicted and true values during training. In this paper, we propose to address this limitation by introducing binary cumulative encoding (BCE), that represents scalar targets into monotonic binary vectors. This encoding implicitly preserves order and magnitude information, allowing the model to learn distance-aware representations while still operating within a classification framework. We propose a convolutional neural network architecture specifically designed for BCE, incorporating residual and dilated convolutions to enable fast and expressive temporal modeling. Through extensive experiments on benchmark forecasting datasets, we show that our approach outperforms widely used methods in both point and probabilistic forecasting, while requiring fewer parameters and enabling faster training.

Framework GNN-AID: Graph Neural Network Analysis Interpretation and Defense

The growing need for Trusted AI (TAI) highlights the importance of interpretability and robustness in machine learning models. However, many existing tools overlook graph data and rarely combine these two aspects into a single solution. Graph Neural Networks (GNNs) have become a popular approach, achieving top results across various tasks. We introduce GNN-AID (Graph Neural Network Analysis, Interpretation, and Defense), an open-source framework designed for graph data to address this gap. Built as a Python library, GNN-AID supports advanced trust methods and architectural layers, allowing users to analyze graph datasets and GNN behavior using attacks, defenses, and interpretability methods. GNN-AID is built on PyTorch-Geometric, offering preloaded datasets, models, and support for any GNNs through customizable interfaces. It also includes a web interface with tools for graph visualization and no-code features like an interactive model builder, simplifying the exploration and analysis of GNNs. The framework also supports MLOps techniques, ensuring reproducibility and result versioning to track and revisit analyses efficiently. GNN-AID is a flexible tool for developers and researchers. It helps developers create, analyze, and customize graph models, while also providing access to prebuilt datasets and models for quick experimentation. Researchers can use the framework to explore advanced topics on the relationship between interpretability and robustness, test defense strategies, and combine methods to protect against different types of attacks. We also show how defenses against evasion and poisoning attacks can conflict when applied to graph data, highlighting the complex connections between defense strategies. GNN-AID is available at \href{https://github.com/ispras/GNN-AID}{github.com/ispras/GNN-AID}

Robustness questions the interpretability of graph neural networks: what to do?

Graph Neural Networks (GNNs) have become a cornerstone in graph-based data analysis, with applications in diverse domains such as bioinformatics, social networks, and recommendation systems. However, the interplay between model interpretability and robustness remains poorly understood, especially under adversarial scenarios like poisoning and evasion attacks. This paper presents a comprehensive benchmark to systematically analyze the impact of various factors on the interpretability of GNNs, including the influence of robustness-enhancing defense mechanisms. We evaluate six GNN architectures based on GCN, SAGE, GIN, and GAT across five datasets from two distinct domains, employing four interpretability metrics: Fidelity, Stability, Consistency, and Sparsity. Our study examines how defenses against poisoning and evasion attacks, applied before and during model training, affect interpretability and highlights critical trade-offs between robustness and interpretability. The framework will be published as open source. The results reveal significant variations in interpretability depending on the chosen defense methods and model architecture characteristics. By establishing a standardized benchmark, this work provides a foundation for developing GNNs that are both robust to adversarial threats and interpretable, facilitating trust in their deployment in sensitive applications.

Building Machine Learning Challenges for Anomaly Detection in Science

Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

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.

Enhancing GNNs Performance on Combinatorial Optimization by Recurrent Feature Update

Combinatorial optimization (CO) problems are crucial in various scientific and industrial applications. Recently, researchers have proposed using unsupervised Graph Neural Networks (GNNs) to address NP-hard combinatorial optimization problems, which can be reformulated as Quadratic Unconstrained Binary Optimization (QUBO) problems. GNNs have demonstrated high performance with nearly linear scalability and significantly outperformed classic heuristic-based algorithms in terms of computational efficiency on large-scale problems. However, when utilizing standard node features, GNNs tend to get trapped to suboptimal local minima of the energy landscape, resulting in low quality solutions. We introduce a novel algorithm, denoted hereafter as QRF-GNN, leveraging the power of GNNs to efficiently solve CO problems with QUBO formulation. It relies on unsupervised learning by minimizing the loss function derived from QUBO relaxation. The proposed key components of the architecture include the recurrent use of intermediate GNN predictions, parallel convolutional layers and combination of static node features as input. Altogether, it helps to adapt the intermediate solution candidate to minimize QUBO-based loss function, taking into account not only static graph features, but also intermediate predictions treated as dynamic, i.e. iteratively changing recurrent features. The performance of the proposed algorithm has been evaluated on the canonical benchmark datasets for maximum cut, graph coloring and maximum independent set problems. Results of experiments show that QRF-GNN drastically surpasses existing learning-based approaches and is comparable to the state-of-the-art conventional heuristics, improving their scalability on large instances.

Aligning Diffusion Models with Noise-Conditioned Perception

Recent advancements in human preference optimization, initially developed for Language Models (LMs), have shown promise for text-to-image Diffusion Models, enhancing prompt alignment, visual appeal, and user preference. Unlike LMs, Diffusion Models typically optimize in pixel or VAE space, which does not align well with human perception, leading to slower and less efficient training during the preference alignment stage. We propose using a perceptual objective in the U-Net embedding space of the diffusion model to address these issues. Our approach involves fine-tuning Stable Diffusion 1.5 and XL using Direct Preference Optimization (DPO), Contrastive Preference Optimization (CPO), and supervised fine-tuning (SFT) within this embedding space. This method significantly outperforms standard latent-space implementations across various metrics, including quality and computational cost. For SDXL, our approach provides 60.8\% general preference, 62.2\% visual appeal, and 52.1\% prompt following against original open-sourced SDXL-DPO on the PartiPrompts dataset, while significantly reducing compute. Our approach not only improves the efficiency and quality of human preference alignment for diffusion models but is also easily integrable with other optimization techniques. The training code and LoRA weights will be available here: https://huggingface.co/alexgambashidze/SDXL\_NCP-DPO\_v0.1

Weak-to-Strong 3D Object Detection with X-Ray Distillation

This paper addresses the critical challenges of sparsity and occlusion in LiDAR-based 3D object detection. Current methods often rely on supplementary modules or specific architectural designs, potentially limiting their applicability to new and evolving architectures. To our knowledge, we are the first to propose a versatile technique that seamlessly integrates into any existing framework for 3D Object Detection, marking the first instance of Weak-to-Strong generalization in 3D computer vision. We introduce a novel framework, X-Ray Distillation with Object-Complete Frames, suitable for both supervised and semi-supervised settings, that leverages the temporal aspect of point cloud sequences. This method extracts crucial information from both previous and subsequent LiDAR frames, creating Object-Complete frames that represent objects from multiple viewpoints, thus addressing occlusion and sparsity. Given the limitation of not being able to generate Object-Complete frames during online inference, we utilize Knowledge Distillation within a Teacher-Student framework. This technique encourages the strong Student model to emulate the behavior of the weaker Teacher, which processes simple and informative Object-Complete frames, effectively offering a comprehensive view of objects as if seen through X-ray vision. Our proposed methods surpass state-of-the-art in semi-supervised learning by 1-1.5 mAP and enhance the performance of five established supervised models by 1-2 mAP on standard autonomous driving datasets, even with default hyperparameters. Code for Object-Complete frames is available here: https://github.com/sakharok13/X-Ray-Teacher-Patching-Tools.

Adversarial Attacks and Defenses in Automated Control Systems: A Comprehensive Benchmark

Integrating machine learning into Automated Control Systems (ACS) enhances decision-making in industrial process management. One of the limitations to the widespread adoption of these technologies in industry is the vulnerability of neural networks to adversarial attacks. This study explores the threats in deploying deep learning models for fault diagnosis in ACS using the Tennessee Eastman Process dataset. By evaluating three neural networks with different architectures, we subject them to six types of adversarial attacks and explore five different defense methods. Our results highlight the strong vulnerability of models to adversarial samples and the varying effectiveness of defense strategies. We also propose a novel protection approach by combining multiple defense methods and demonstrate it's efficacy. This research contributes several insights into securing machine learning within ACS, ensuring robust fault diagnosis in industrial processes.

A Semi-Supervised Deep Learning Approach to Dataset Collection for Query-By-Humming Task

Query-by-Humming (QbH) is a task that involves finding the most relevant song based on a hummed or sung fragment. Despite recent successful commercial solutions, implementing QbH systems remains challenging due to the lack of high-quality datasets for training machine learning models. In this paper, we propose a deep learning data collection technique and introduce Covers and Hummings Aligned Dataset (CHAD), a novel dataset that contains 18 hours of short music fragments, paired with time-aligned hummed versions. To expand our dataset, we employ a semi-supervised model training pipeline that leverages the QbH task as a specialized case of cover song identification (CSI) task. Starting with a model trained on the initial dataset, we iteratively collect groups of fragments of cover versions of the same song and retrain the model on the extended data. Using this pipeline, we collect over 308 hours of additional music fragments, paired with time-aligned cover versions. The final model is successfully applied to the QbH task and achieves competitive results on benchmark datasets. Our study shows that the proposed dataset and training pipeline can effectively facilitate the implementation of QbH systems.