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In the rapidly evolving realm of machine learning, algorithm effectiveness often faces limitations due to data quality and availability. Traditional approaches grapple with data sharing due to legal and privacy concerns. The federated learning framework addresses this challenge. Federated learning is a decentralized approach where model training occurs on client sides, preserving privacy by keeping data localized. Instead of sending raw data to a central server, only model updates are exchanged, enhancing data security. We apply this framework to Sparse Principal Component Analysis (SPCA) in this work. SPCA aims to attain sparse component loadings while maximizing data variance for improved interpretability. Beside the L1 norm regularization term in conventional SPCA, we add a smoothing function to facilitate gradient-based optimization methods. Moreover, in order to improve computational efficiency, we introduce a least squares approximation to original SPCA. This enables analytic solutions on the optimization processes, leading to substantial computational improvements. Within the federated framework, we formulate SPCA as a consensus optimization problem, which can be solved using the Alternating Direction Method of Multipliers (ADMM). Our extensive experiments involve both IID and non-IID random features across various data owners. Results on synthetic and public datasets affirm the efficacy of our federated SPCA approach.

With the increasing amount of data available to scientists in disciplines as diverse as bioinformatics, physics, and remote sensing, scientific workflow systems are becoming increasingly important for composing and executing scalable data analysis pipelines. When writing such workflows, users need to specify the resources to be reserved for tasks so that sufficient resources are allocated on the target cluster infrastructure. Crucially, underestimating a task's memory requirements can result in task failures. Therefore, users often resort to overprovisioning, resulting in significant resource wastage and decreased throughput. In this paper, we propose a novel online method that uses monitoring time series data to predict task memory usage in order to reduce the memory wastage of scientific workflow tasks. Our method predicts a task's runtime, divides it into k equally-sized segments, and learns the peak memory value for each segment depending on the total file input size. We evaluate the prototype implementation of our method using workflows from the publicly available nf-core repository, showing an average memory wastage reduction of 29.48% compared to the best state-of-the-art approach

We introduce the first minimal and complete equational theory for quantum circuits. Hence, we show that any true equation on quantum circuits can be derived from simple rules, all of them being standard except a novel but intuitive one which states that a multi-control $2\pi$ rotation is nothing but the identity. Our work improves on the recent complete equational theories for quantum circuits, by getting rid of several rules including a fairly unpractical one. One of our main contributions is to prove the minimality of the equational theory, i.e. none of the rules can be derived from the other ones. More generally, we demonstrate that any complete equational theory on quantum circuits (when all gates are unitary) requires rules acting on an unbounded number of qubits. Finally, we also simplify the complete equational theories for quantum circuits with ancillary qubits and/or qubit discarding.

Sparse matrix representations are ubiquitous in computational science and machine learning, leading to significant reductions in compute time, in comparison to dense representation, for problems that have local connectivity. The adoption of sparse representation in leading ML frameworks such as PyTorch is incomplete, however, with support for both automatic differentiation and GPU acceleration missing. In this work, we present an implementation of a CSR-based sparse matrix wrapper for PyTorch with CUDA acceleration for basic matrix operations, as well as automatic differentiability. We also present several applications of the resulting sparse kernels to optimization problems, demonstrating ease of implementation and performance measurements versus their dense counterparts.

We propose a general method to break down a main complex task into a set of intermediary easier sub-tasks, which are formulated in natural language as binary questions related to the final target task. Our method allows for representing each example by a vector consisting of the answers to these questions. We call this representation Natural Language Learned Features (NLLF). NLLF is generated by a small transformer language model (e.g., BERT) that has been trained in a Natural Language Inference (NLI) fashion, using weak labels automatically obtained from a Large Language Model (LLM). We show that the LLM normally struggles for the main task using in-context learning, but can handle these easiest subtasks and produce useful weak labels to train a BERT. The NLI-like training of the BERT allows for tackling zero-shot inference with any binary question, and not necessarily the ones seen during the training. We show that this NLLF vector not only helps to reach better performances by enhancing any classifier, but that it can be used as input of an easy-to-interpret machine learning model like a decision tree. This decision tree is interpretable but also reaches high performances, surpassing those of a pre-trained transformer in some cases.We have successfully applied this method to two completely different tasks: detecting incoherence in students' answers to open-ended mathematics exam questions, and screening abstracts for a systematic literature review of scientific papers on climate change and agroecology.

Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.

Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.

Benefit from the quick development of deep learning techniques, salient object detection has achieved remarkable progresses recently. However, there still exists following two major challenges that hinder its application in embedded devices, low resolution output and heavy model weight. To this end, this paper presents an accurate yet compact deep network for efficient salient object detection. More specifically, given a coarse saliency prediction in the deepest layer, we first employ residual learning to learn side-output residual features for saliency refinement, which can be achieved with very limited convolutional parameters while keep accuracy. Secondly, we further propose reverse attention to guide such side-output residual learning in a top-down manner. By erasing the current predicted salient regions from side-output features, the network can eventually explore the missing object parts and details which results in high resolution and accuracy. Experiments on six benchmark datasets demonstrate that the proposed approach compares favorably against state-of-the-art methods, and with advantages in terms of simplicity, efficiency (45 FPS) and model size (81 MB).