Classical artificial neural networks have witnessed widespread successes in machine-learning applications. Here, we propose fermion neural networks (FNNs) whose physical properties, such as local density of states or conditional conductance, serve as outputs, once the inputs are incorporated as an initial layer. Comparable to back-propagation, we establish an efficient optimization, which entitles FNNs to competitive performance on challenging machine-learning benchmarks. FNNs also directly apply to quantum systems, including hard ones with interactions, and offer in-situ analysis without preprocessing or presumption. Following machine learning, FNNs precisely determine topological phases and emergent charge orders. Their quantum nature also brings various advantages: quantum correlation entitles more general network connectivity and insight into the vanishing gradient problem, quantum entanglement opens up novel avenues for interpretable machine learning, etc.
Variable selection or importance measurement of input variables to a machine learning model has become the focus of much research. It is no longer enough to have a good model, one also must explain its decisions. This is why there are so many intelligibility algorithms available today. Among them, Shapley value estimation algorithms are intelligibility methods based on cooperative game theory. In the case of the naive Bayes classifier, and to our knowledge, there is no ``analytical" formulation of Shapley values. This article proposes an exact analytic expression of Shapley values in the special case of the naive Bayes Classifier. We analytically compare this Shapley proposal, to another frequently used indicator, the Weight of Evidence (WoE) and provide an empirical comparison of our proposal with (i) the WoE and (ii) KernelShap results on real world datasets, discussing similar and dissimilar results. The results show that our Shapley proposal for the naive Bayes classifier provides informative results with low algorithmic complexity so that it can be used on very large datasets with extremely low computation time.
Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.
This work investigates the potential of Federated Learning (FL) for official statistics and shows how well the performance of FL models can keep up with centralized learning methods. At the same time, its utilization can safeguard the privacy of data holders, thus facilitating access to a broader range of data and ultimately enhancing official statistics. By simulating three different use cases, important insights on the applicability of the technology are gained. The use cases are based on a medical insurance data set, a fine dust pollution data set and a mobile radio coverage data set - all of which are from domains close to official statistics. We provide a detailed analysis of the results, including a comparison of centralized and FL algorithm performances for each simulation. In all three use cases, we were able to train models via FL which reach a performance very close to the centralized model benchmarks. Our key observations and their implications for transferring the simulations into practice are summarized. We arrive at the conclusion that FL has the potential to emerge as a pivotal technology in future use cases of official statistics.
The complexity of learning problems, such as Generative Adversarial Network (GAN) and its variants, multi-task and meta-learning, hyper-parameter learning, and a variety of real-world vision applications, demands a deeper understanding of their underlying coupling mechanisms. Existing approaches often address these problems in isolation, lacking a unified perspective that can reveal commonalities and enable effective solutions. Therefore, in this work, we proposed a new framework, named Learning with Constraint Learning (LwCL), that can holistically examine challenges and provide a unified methodology to tackle all the above-mentioned complex learning and vision problems. Specifically, LwCL is designed as a general hierarchical optimization model that captures the essence of these diverse learning and vision problems. Furthermore, we develop a gradient-response based fast solution strategy to overcome optimization challenges of the LwCL framework. Our proposed framework efficiently addresses a wide range of applications in learning and vision, encompassing three categories and nine different problem types. Extensive experiments on synthetic tasks and real-world applications verify the effectiveness of our approach. The LwCL framework offers a comprehensive solution for tackling complex machine learning and computer vision problems, bridging the gap between theory and practice.
Neural point estimators are neural networks that map data to parameter point estimates. They are fast, likelihood free and, due to their amortised nature, amenable to fast bootstrap-based uncertainty quantification. In this paper, we aim to increase the awareness of statisticians to this relatively new inferential tool, and to facilitate its adoption by providing user-friendly open-source software. We also give attention to the ubiquitous problem of making inference from replicated data, which we address in the neural setting using permutation-invariant neural networks. Through extensive simulation studies we show that these neural point estimators can quickly and optimally (in a Bayes sense) estimate parameters in weakly-identified and highly-parameterised models with relative ease. We demonstrate their applicability through an analysis of extreme sea-surface temperature in the Red Sea where, after training, we obtain parameter estimates and bootstrap-based confidence intervals from hundreds of spatial fields in a fraction of a second.
Quantum computing is in an era defined by rapidly evolving quantum hardware technologies, combined with persisting high gate error rates, large amounts of noise, and short coherence times. Overcoming these limitations requires systems-level approaches that account for the strengths and weaknesses of the underlying hardware technology. Yet few hardware-aware compiler techniques exist for neutral atom devices, with no prior work on compiling to the neutral atom native gate set. In particular, current neutral atom hardware does not support certain single-qubit rotations via local addressing, which often requires the circuit to be decomposed into a large number of gates, leading to long circuit durations and low overall fidelities. We propose the first compiler designed to overcome the challenges of limited local addressibility in neutral atom quantum computers. We present algorithms to decompose circuits into the neutral atom native gate set, with emphasis on optimizing total pulse area of global gates, which dominate gate execution costs in several current architectures. Furthermore, we explore atom movement as an alternative to expensive gate decompositions, gaining immense speedup with routing, which remains a huge overhead for many quantum circuits. Our decomposition optimizations result in up to ~3.5x and ~2.9x speedup in time spent executing global gates and time spent executing single-qubit gates, respectively. When combined with our atom movement routing algorithms, our compiler achieves up to ~10x reduction in circuit duration, with over ~2x improvement in fidelity. We show that our compiler strategies can be adapted for a variety of hardware-level parameters as neutral atom technology continues to develop.
The regression of a functional response on a set of scalar predictors can be a challenging task, especially if there is a large number of predictors, or the relationship between those predictors and the response is nonlinear. In this work, we propose a solution to this problem: a feed-forward neural network (NN) designed to predict a functional response using scalar inputs. First, we transform the functional response to a finite-dimensional representation and construct an NN that outputs this representation. Then, we propose to modify the output of an NN via the objective function and introduce different objective functions for network training. The proposed models are suited for both regularly and irregularly spaced data, and a roughness penalty can be further applied to control the smoothness of the predicted curve. The difficulty in implementing both those features lies in the definition of objective functions that can be back-propagated. In our experiments, we demonstrate that our model outperforms the conventional function-on-scalar regression model in multiple scenarios while computationally scaling better with the dimension of the predictors.
Quantum computers are now on the brink of outperforming their classical counterparts. One way to demonstrate the advantage of quantum computation is through quantum random sampling performed on quantum computing devices. However, existing tools for verifying that a quantum device indeed performed the classically intractable sampling task are either impractical or not scalable to the quantum advantage regime. The verification problem thus remains an outstanding challenge. Here, we experimentally demonstrate efficiently verifiable quantum random sampling in the measurement-based model of quantum computation on a trapped-ion quantum processor. We create random cluster states, which are at the heart of measurement-based computing, up to a size of 4 x 4 qubits. Moreover, by exploiting the structure of these states, we are able to recycle qubits during the computation to sample from entangled cluster states that are larger than the qubit register. We then efficiently estimate the fidelity to verify the prepared states--in single instances and on average--and compare our results to cross-entropy benchmarking. Finally, we study the effect of experimental noise on the certificates. Our results and techniques provide a feasible path toward a verified demonstration of a quantum advantage.
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
Graph Convolutional Networks (GCNs) have received increasing attention in recent machine learning. How to effectively leverage the rich structural information in complex graphs, such as knowledge graphs with heterogeneous types of entities and relations, is a primary open challenge in the field. Most GCN methods are either restricted to graphs with a homogeneous type of edges (e.g., citation links only), or focusing on representation learning for nodes only instead of jointly optimizing the embeddings of both nodes and edges for target-driven objectives. This paper addresses these limitations by proposing a novel framework, namely the GEneralized Multi-relational Graph Convolutional Networks (GEM-GCN), which combines the power of GCNs in graph-based belief propagation and the strengths of advanced knowledge-base embedding methods, and goes beyond. Our theoretical analysis shows that GEM-GCN offers an elegant unification of several well-known GCN methods as specific cases, with a new perspective of graph convolution. Experimental results on benchmark datasets show the advantageous performance of GEM-GCN over strong baseline methods in the tasks of knowledge graph alignment and entity classification.