The goal of neuro-symbolic AI is to integrate symbolic and subsymbolic AI approaches, to overcome the limitations of either. Prominent systems include Logic Tensor Networks (LTN) or DeepProbLog, which offer neural predicates and end-to-end learning. The versatility of systems like LTNs and DeepProbLog, however, makes them less efficient in simpler settings, for instance, for discriminative machine learning, in particular in domains with many constants. Therefore, we follow a different approach: We propose to enhance symbolic machine learning schemes by giving them access to neural embeddings. In the present paper, we show this for TILDE and embeddings of constants used by TILDE in similarity predicates. The approach can be fine-tuned by further refining the embeddings depending on the symbolic theory. In experiments in three real-world domain, we show that this simple, yet effective, approach outperforms all other baseline methods in terms of the F1 score. The approach could be useful beyond this setting: Enhancing symbolic learners in this way could be extended to similarities between instances (effectively working like kernels within a logical language), for analogical reasoning, or for propositionalization.
The pursuit of discovering new phenomena at the Large Hadron Collider (LHC) demands constant innovation in algorithms and technologies. Tensor networks are mathematical models on the intersection of classical and quantum machine learning, which present a promising and efficient alternative for tackling these challenges. In this work, we propose a tensor network-based strategy for anomaly detection at the LHC and demonstrate its superior performance in identifying new phenomena compared to established quantum methods. Our model is a parametrized Matrix Product State with an isometric feature map, processing a latent representation of simulated LHC data generated by an autoencoder. Our results highlight the potential of tensor networks to enhance new-physics discovery.
Tensor networks (TNs) provide efficient representations of high-dimensional data, yet identification of the optimal TN structures, the so called tensor network structure search (TN-SS) problem, remains a challenge. Current state-of-the-art (SOTA) algorithms are computationally expensive as they require extensive function evaluations, which is prohibitive for real-world applications. In addition, existing methods ignore valuable domain information inherent in real-world tensor data and lack transparency in their identified TN structures. To this end, we propose a novel TN-SS framework, termed the tnLLM, which incorporates domain information about the data and harnesses the reasoning capabilities of large language models (LLMs) to directly predict suitable TN structures. The proposed framework involves a domain-aware prompting pipeline which instructs the LLM to infer suitable TN structures based on the real-world relationships between tensor modes. In this way, our approach is capable of not only iteratively optimizing the objective function, but also generating domain-aware explanations for the identified structures. Experimental results demonstrate that tnLLM achieves comparable TN-SS objective function values with much fewer function evaluations compared to SOTA algorithms. Furthermore, we demonstrate that the LLM-enabled domain information can be used to find good initializations in the search space for sampling-based SOTA methods to accelerate their convergence while preserving theoretical performance guarantees.
Pricing of exotic financial derivatives, such as Asian and multi-asset American basket options, poses significant challenges for standard numerical methods such as binomial trees or Monte Carlo methods. While the former often scales exponentially with the parameters of interest, the latter often requires expensive simulations to obtain sufficient statistical convergence. This work combines the binomial pricing method for options with tensor network techniques, specifically Matrix Product States (MPS), to overcome these challenges. Our proposed methods scale linearly with the parameters of interest and significantly reduce the computational complexity of pricing exotics compared to conventional methods. For Asian options, we present two methods: a tensor train cross approximation-based method for pricing, and a variational pricing method using MPS, which provides a stringent lower bound on option prices. For multi-asset American basket options, we combine the decoupled trees technique with the tensor train cross approximation to efficiently handle baskets of up to $m = 8$ correlated assets. All approaches scale linearly in the number of discretization steps $N$ for Asian options, and the number of assets $m$ for multi-asset options. Our numerical experiments underscore the high potential of tensor network methods as highly efficient simulation and optimization tools for financial engineering.
Making accurate predictions of chaotic time series is a complex challenge. Reservoir computing, a neuromorphic-inspired approach, has emerged as a powerful tool for this task. It exploits the memory and nonlinearity of dynamical systems without requiring extensive parameter tuning. However, selecting and optimizing reservoir architectures remains an open problem. Next-generation reservoir computing simplifies this problem by employing nonlinear vector autoregression based on truncated Volterra series, thereby reducing hyperparameter complexity. Nevertheless, the latter suffers from exponential parameter growth in terms of the maximum monomial degree. Tensor networks offer a promising solution to this issue by decomposing multidimensional arrays into low-dimensional structures, thus mitigating the curse of dimensionality. This paper explores the application of a previously proposed tensor network model for predicting chaotic time series, demonstrating its advantages in terms of accuracy and computational efficiency compared to conventional echo state networks. Using a state-of-the-art tensor network approach enables us to bridge the gap between the tensor network and reservoir computing communities, fostering advances in both fields.
The efficient implementation of large language models (LLMs) is crucial for deployment on resource-constrained devices. Low-rank tensor compression techniques, such as tensor-train (TT) networks, have been widely studied for over-parameterized neural networks. However, their applications to compress pre-trained large language models (LLMs) for downstream tasks (post-training) remains challenging due to the high-rank nature of pre-trained LLMs and the lack of access to pretraining data. In this study, we investigate low-rank tensorized LLMs during fine-tuning and propose sparse augmented tensor networks (Saten) to enhance their performance. The proposed Saten framework enables full model compression. Experimental results demonstrate that Saten enhances both accuracy and compression efficiency in tensorized language models, achieving state-of-the-art performance.
Variational quantum algorithms hold the promise to address meaningful quantum problems already on noisy intermediate-scale quantum hardware, but they face the challenge of designing quantum circuits that both solve the target problem and comply with device limitations. Quantum architecture search (QAS) automates this design process, with reinforcement learning (RL) emerging as a promising approach. Yet, RL-based QAS methods encounter significant scalability issues, as computational and training costs grow rapidly with the number of qubits, circuit depth, and noise, severely impacting performance. To address these challenges, we introduce $\textit{TensorRL-QAS}$, a scalable framework that combines tensor network (TN) methods with RL for designing quantum circuits. By warm-starting the architecture search with a matrix product state approximation of the target solution, TensorRL-QAS effectively narrows the search space to physically meaningful circuits, accelerating convergence to the desired solution. Tested on several quantum chemistry problems of up to 12-qubit, TensorRL-QAS achieves up to a 10-fold reduction in CNOT count and circuit depth compared to baseline methods, while maintaining or surpassing chemical accuracy. It reduces function evaluations by up to 100-fold, accelerates training episodes by up to $98\%$, and achieves up to $50\%$ success probability for 10-qubit systems-far exceeding the $<1\%$ rates of baseline approaches. Robustness and versatility are demonstrated both in the noiseless and noisy scenarios, where we report a simulation of up to 8-qubit. These advancements establish TensorRL-QAS as a promising candidate for a scalable and efficient quantum circuit discovery protocol on near-term quantum hardware.
Tensor networks, a class of variational quantum many-body wave functions have attracted considerable research interest across many disciplines, including classical machine learning. Recently, Aizpurua et al. demonstrated explainable anomaly detection with matrix product states on a discrete-valued cyber-security task, using quantum-inspired methods to gain insight into the learned model and detected anomalies. Here, we extend this framework to real-valued data domains. We furthermore introduce tree tensor networks for the task of explainable anomaly detection. We demonstrate these methods with three benchmark problems, show adequate predictive performance compared to several baseline models and both tensor network architectures' ability to explain anomalous samples. We thereby extend the application of tensor networks to a broader class of potential problems and open a pathway for future extensions to more complex tensor network architectures.
Quantum machine learning for spin and molecular systems faces critical challenges of scarce labeled data and computationally expensive simulations. To address these limitations, we introduce Hamiltonian-Masked Autoencoding (HMAE), a novel self-supervised framework that pre-trains transformers on unlabeled quantum Hamiltonians, enabling efficient few-shot transfer learning. Unlike random masking approaches, HMAE employs a physics-informed strategy based on quantum information theory to selectively mask Hamiltonian terms based on their physical significance. Experiments on 12,500 quantum Hamiltonians (60% real-world, 40% synthetic) demonstrate that HMAE achieves 85.3% $\pm$ 1.5% accuracy in phase classification and 0.15 $\pm$ 0.02 eV MAE in ground state energy prediction with merely 10 labeled examples - a statistically significant improvement (p < 0.01) over classical graph neural networks (78.1% $\pm$ 2.1%) and quantum neural networks (76.8% $\pm$ 2.3%). Our method's primary advantage is exceptional sample efficiency - reducing required labeled examples by 3-5x compared to baseline methods - though we emphasize that ground truth values for fine-tuning and evaluation still require exact diagonalization or tensor networks. We explicitly acknowledge that our current approach is limited to small quantum systems (specifically limited to 12 qubits during training, with limited extension to 16-20 qubits in testing) and that, while promising within this regime, this size restriction prevents immediate application to larger systems of practical interest in materials science and quantum chemistry.
Tree tensor networks (TTNs) offer powerful models for image classification. While these TTN image classifiers already show excellent performance on classical hardware, embedding them into quantum neural networks (QNNs) may further improve the performance by leveraging quantum resources. However, embedding TTN classifiers into QNNs for multiclass classification remains challenging. Key obstacles are the highorder gate operations required for large bond dimensions and the mid-circuit postselection with exponentially low success rates necessary for the exact embedding. In this work, to address these challenges, we propose forest tensor network (FTN)-classifiers, which aggregate multiple small-bond-dimension TTNs. This allows us to handle multiclass classification without requiring large gates in the embedded circuits. We then remove the overhead of mid-circuit postselection by extending the adiabatic encoding framework to our setting and smoothly encode the FTN-classifiers into a quantum forest tensor network (qFTN)- classifiers. Numerical experiments on MNIST and CIFAR-10 demonstrate that we can successfully train FTN-classifiers and encode them into qFTN-classifiers, while maintaining or even improving the performance of the pre-trained FTN-classifiers. These results suggest that synergy between TTN classification models and QNNs can provide a robust and scalable framework for multiclass quantum-enhanced image classification.
A structural optimization scheme for a single-layer nonnegative adaptive tensor tree (NATT) that models a target probability distribution is proposed. The NATT scheme, by construction, has the advantage that it is interpretable as a probabilistic graphical model. We consider the NATT scheme and a recently proposed Born machine adaptive tensor tree (BMATT) optimization scheme and demonstrate their effectiveness on a variety of generative modeling tasks where the objective is to infer the hidden structure of a provided dataset. Our results show that in terms of minimizing the negative log-likelihood, the single-layer scheme has model performance comparable to the Born machine scheme, though not better. The tasks include deducing the structure of binary bitwise operations, learning the internal structure of random Bayesian networks given only visible sites, and a real-world example related to hierarchical clustering where a cladogram is constructed from mitochondrial DNA sequences. In doing so, we also show the importance of the choice of network topology and the versatility of a least-mutual information criterion in selecting a candidate structure for a tensor tree, as well as discuss aspects of these tensor tree generative models including their information content and interpretability.
We propose $\chi$-net, an intrinsically interpretable architecture combining the compositional multilinear structure of tensor networks with the expressivity and efficiency of deep neural networks. $\chi$-nets retain equal accuracy compared to their baseline counterparts. Our novel, efficient diagonalisation algorithm, ODT, reveals linear low-rank structure in a multilayer SVHN model. We leverage this toward formal weight-based interpretability and model compression.
We propose a learning architecture that allows symbolic control and guidance in reinforcement learning with deep neural networks. We introduce SymDQN, a novel modular approach that augments the existing Dueling Deep Q-Networks (DuelDQN) architecture with modules based on the neuro-symbolic framework of Logic Tensor Networks (LTNs). The modules guide action policy learning and allow reinforcement learning agents to display behaviour consistent with reasoning about the environment. Our experiment is an ablation study performed on the modules. It is conducted in a reinforcement learning environment of a 5x5 grid navigated by an agent that encounters various shapes, each associated with a given reward. The underlying DuelDQN attempts to learn the optimal behaviour of the agent in this environment, while the modules facilitate shape recognition and reward prediction. We show that our architecture significantly improves learning, both in terms of performance and the precision of the agent. The modularity of SymDQN allows reflecting on the intricacies and complexities of combining neural and symbolic approaches in reinforcement learning.
The Categorical Compositional Distributional (DisCoCat) framework models meaning in natural language using the mathematical framework of quantum theory, expressed as formal diagrams. DisCoCat diagrams can be associated with tensor networks and quantum circuits. DisCoCat diagrams have been connected to density matrices in various contexts in Quantum Natural Language Processing (QNLP). Previous use of density matrices in QNLP entails modelling ambiguous words as probability distributions over more basic words (the word \texttt{queen}, e.g., might mean the reigning queen or the chess piece). In this article, we investigate using probability distributions over processes to account for syntactic ambiguity in sentences. The meanings of these sentences are represented by density matrices. We show how to create probability distributions on quantum circuits that represent the meanings of sentences and explain how this approach generalises tasks from the literature. We conduct an experiment to validate the proposed theory.
Efficient probabilistic inference by variable elimination in graphical models requires an optimal elimination order. However, finding an optimal order is a challenging combinatorial optimisation problem for models with a large number of random variables. Most recently, a reinforcement learning approach has been proposed to find efficient contraction orders in tensor networks. Due to the duality between graphical models and tensor networks, we adapt this approach to probabilistic inference in graphical models. Furthermore, we incorporate structure exploitation into the process of finding an optimal order. Currently, the agent's cost function is formulated in terms of intermediate result sizes which are exponential in the number of indices (i.e., random variables). We show that leveraging specific structures during inference allows for introducing compact encodings of intermediate results which can be significantly smaller. By considering the compact encoding sizes for the cost function instead, we enable the agent to explore more efficient contraction orders. The structure we consider in this work is the presence of local symmetries (i.e., symmetries within a model's factors).
Power amplifiers (PAs) are essential components in wireless communication systems, and the design of their behavioral models has been an important research topic for many years. The widely used generalized memory polynomial (GMP) model suffers from rapid growth in the number of parameters with increasing memory depths and nonlinearity order, which leads to a significant increase in model complexity and the risk of overfitting. In this study, we introduce tensor networks to compress the unknown coefficient tensor of the GMP model, resulting in three novel tensor-based GMP models. These models can achieve comparable performance to the GMP model, but with far fewer parameters and lower complexity. For the identification of these models, we derive the alternating least-squares (ALS) method to ensure the rapid updates and convergence of model parameters in an iterative manner. In addition, we notice that the horizontal slices of the third-order data tensor constructed from the input signals are Vandermonde matrices, which have a numerically low-rank structure. Hence, we further propose the RP-ALS algorithm, which first performs a truncated higher-order singular value decomposition on the data tensor to generate random projections, then conducts the ALS algorithm for the identification of projected models with downscaled dimensions, thus reducing the computational effort of the iterative process. The experimental results show that the proposed models outperform the full GMP model and sparse GMP model via LASSO regression in terms of the reduction in the number of parameters and running complexity.
Tensor Networks have emerged as a prominent alternative to neural networks for addressing Machine Learning challenges in foundational sciences, paving the way for their applications to real-life problems. This paper introduces tn4ml, a novel library designed to seamlessly integrate Tensor Networks into optimization pipelines for Machine Learning tasks. Inspired by existing Machine Learning frameworks, the library offers a user-friendly structure with modules for data embedding, objective function definition, and model training using diverse optimization strategies. We demonstrate its versatility through two examples: supervised learning on tabular data and unsupervised learning on an image dataset. Additionally, we analyze how customizing the parts of the Machine Learning pipeline for Tensor Networks influences performance metrics.
Optimization is a crucial task in various industries such as logistics, aviation, manufacturing, chemical, pharmaceutical, and insurance, where finding the best solution to a problem can result in significant cost savings and increased efficiency. Tensor networks (TNs) have gained prominence in recent years in modeling classical systems with quantum-inspired approaches. More recently, TN generative-enhanced optimization (TN-GEO) has been proposed as a strategy which uses generative modeling to efficiently sample valid solutions with respect to certain constraints of optimization problems. Moreover, it has been shown that symmetric TNs (STNs) can encode certain constraints of optimization problems, thus aiding in their solution process. In this work, we investigate the applicability of TN- and STN-GEO to an industry relevant problem class, a multi-knapsack problem, in which each object must be assigned to an available knapsack. We detail a prescription for practitioners to use the TN-and STN-GEO methodology and study its scaling behavior and dependence on its hyper-parameters. We benchmark 60 different problem instances and find that TN-GEO and STN-GEO produce results of similar quality to simulated annealing.
Evolutionary deep neural networks have emerged as a rapidly growing field of research. This paper studies numerical integrators for such and other classes of nonlinear parametrizations $ u(t) = \Phi(\theta(t)) $, where the evolving parameters $\theta(t)$ are to be computed. The primary focus is on tackling the challenges posed by the combination of stiff evolution problems and irregular parametrizations, which typically arise with neural networks, tensor networks, flocks of evolving Gaussians, and in further cases of overparametrization. We propose and analyse regularized parametric versions of the implicit Euler method and higher-order implicit Runge--Kutta methods for the time integration of the parameters in nonlinear approximations to evolutionary partial differential equations and large systems of stiff ordinary differential equations. At each time step, an ill-conditioned nonlinear optimization problem is solved approximately with a few regularized Gauss--Newton iterations. Error bounds for the resulting parametric integrator are derived by relating the computationally accessible Gauss--Newton iteration for the parameters to the computationally inaccessible Newton iteration for the underlying non-parametric time integration scheme. The theoretical findings are supported by numerical experiments that are designed to show key properties of the proposed parametric integrators.
Tensor networks are a tool first employed in the context of many-body quantum physics that now have a wide range of uses across the computational sciences, from numerical methods to machine learning. Methods integrating tensor networks into evolutionary optimization algorithms have appeared in the recent literature. In essence, these methods can be understood as replacing the traditional crossover operation of a genetic algorithm with a tensor network-based generative model. We investigate these methods from the point of view that they are Estimation of Distribution Algorithms (EDAs). We find that optimization performance of these methods is not related to the power of the generative model in a straightforward way. Generative models that are better (in the sense that they better model the distribution from which their training data is drawn) do not necessarily result in better performance of the optimization algorithm they form a part of. This raises the question of how best to incorporate powerful generative models into optimization routines. In light of this we find that adding an explicit mutation operator to the output of the generative model often improves optimization performance.