Exploring the Energy Landscape of RBMs: Reciprocal Space Insights into Bosons, Hierarchical Learning and Symmetry Breaking

Deep generative models have become ubiquitous due to their ability to learn and sample from complex distributions. Despite the proliferation of various frameworks, the relationships among these models remain largely unexplored, a gap that hinders the development of a unified theory of AI learning. We address two central challenges: clarifying the connections between different deep generative models and deepening our understanding of their learning mechanisms. We focus on Restricted Boltzmann Machines (RBMs), known for their universal approximation capabilities for discrete distributions. By introducing a reciprocal space formulation, we reveal a connection between RBMs, diffusion processes, and coupled Bosons. We show that at initialization, the RBM operates at a saddle point, where the local curvature is determined by the singular values, whose distribution follows the Marcenko-Pastur law and exhibits rotational symmetry. During training, this rotational symmetry is broken due to hierarchical learning, where different degrees of freedom progressively capture features at multiple levels of abstraction. This leads to a symmetry breaking in the energy landscape, reminiscent of Landau theory. This symmetry breaking in the energy landscape is characterized by the singular values and the weight matrix eigenvector matrix. We derive the corresponding free energy in a mean-field approximation. We show that in the limit of infinite size RBM, the reciprocal variables are Gaussian distributed. Our findings indicate that in this regime, there will be some modes for which the diffusion process will not converge to the Boltzmann distribution. To illustrate our results, we trained replicas of RBMs with different hidden layer sizes using the MNIST dataset. Our findings bridge the gap between disparate generative frameworks and also shed light on the processes underpinning learning in generative models.

Enhancing Gradient-based Discrete Sampling via Parallel Tempering

While gradient-based discrete samplers are effective in sampling from complex distributions, they are susceptible to getting trapped in local minima, particularly in high-dimensional, multimodal discrete distributions, owing to the discontinuities inherent in these landscapes. To circumvent this issue, we combine parallel tempering, also known as replica exchange, with the discrete Langevin proposal and develop the Parallel Tempering enhanced Discrete Langevin Proposal (PTDLP), which are simulated at a series of temperatures. Significant energy differences prompt sample swaps, which are governed by a Metropolis criterion specifically designed for discrete sampling to ensure detailed balance is maintained. Additionally, we introduce an automatic scheme to determine the optimal temperature schedule and the number of chains, ensuring adaptability across diverse tasks with minimal tuning. Theoretically, we establish that our algorithm converges non-asymptotically to the target energy and exhibits faster mixing compared to a single chain. Empirical results further emphasize the superiority of our method in sampling from complex, multimodal discrete distributions, including synthetic problems, restricted Boltzmann machines, and deep energy-based models.

Benchmarking Classical, Deep, and Generative Models for Human Activity Recognition

Human Activity Recognition (HAR) has gained significant importance with the growing use of sensor-equipped devices and large datasets. This paper evaluates the performance of three categories of models : classical machine learning, deep learning architectures, and Restricted Boltzmann Machines (RBMs) using five key benchmark datasets of HAR (UCI-HAR, OPPORTUNITY, PAMAP2, WISDM, and Berkeley MHAD). We assess various models, including Decision Trees, Random Forests, Convolutional Neural Networks (CNN), and Deep Belief Networks (DBNs), using metrics such as accuracy, precision, recall, and F1-score for a comprehensive comparison. The results show that CNN models offer superior performance across all datasets, especially on the Berkeley MHAD. Classical models like Random Forest do well on smaller datasets but face challenges with larger, more complex data. RBM-based models also show notable potential, particularly for feature learning. This paper offers a detailed comparison to help researchers choose the most suitable model for HAR tasks.

Unfolding Tensors to Identify the Graph in Discrete Latent Bipartite Graphical Models

We use a tensor unfolding technique to prove a new identifiability result for discrete bipartite graphical models, which have a bipartite graph between an observed and a latent layer. This model family includes popular models such as Noisy-Or Bayesian networks for medical diagnosis and Restricted Boltzmann Machines in machine learning. These models are also building blocks for deep generative models. Our result on identifying the graph structure enjoys the following nice properties. First, our identifiability proof is constructive, in which we innovatively unfold the population tensor under the model into matrices and inspect the rank properties of the resulting matrices to uncover the graph. This proof itself gives a population-level structure learning algorithm that outputs both the number of latent variables and the bipartite graph. Second, we allow various forms of nonlinear dependence among the variables, unlike many continuous latent variable graphical models that rely on linearity to show identifiability. Third, our identifiability condition is interpretable, only requiring each latent variable to connect to at least two "pure" observed variables in the bipartite graph. The new result not only brings novel advances in algebraic statistics, but also has useful implications for these models' trustworthy applications in scientific disciplines and interpretable machine learning.

Zephyr quantum-assisted hierarchical Calo4pQVAE for particle-calorimeter interactions

With the approach of the High Luminosity Large Hadron Collider (HL-LHC) era set to begin particle collisions by the end of this decade, it is evident that the computational demands of traditional collision simulation methods are becoming increasingly unsustainable. Existing approaches, which rely heavily on first-principles Monte Carlo simulations for modeling event showers in calorimeters, are projected to require millions of CPU-years annually -- far exceeding current computational capacities. This bottleneck presents an exciting opportunity for advancements in computational physics by integrating deep generative models with quantum simulations. We propose a quantum-assisted hierarchical deep generative surrogate founded on a variational autoencoder (VAE) in combination with an energy conditioned restricted Boltzmann machine (RBM) embedded in the model's latent space as a prior. By mapping the topology of D-Wave's Zephyr quantum annealer (QA) into the nodes and couplings of a 4-partite RBM, we leverage quantum simulation to accelerate our shower generation times significantly. To evaluate our framework, we use Dataset 2 of the CaloChallenge 2022. Through the integration of classical computation and quantum simulation, this hybrid framework paves way for utilizing large-scale quantum simulations as priors in deep generative models.

A Survey on Deep Neural Networks in Collaborative Filtering Recommendation Systems

This survey provides an examination of the use of Deep Neural Networks (DNN) in Collaborative Filtering (CF) recommendation systems. As the digital world increasingly relies on data-driven approaches, traditional CF techniques face limitations in scalability and flexibility. DNNs can address these challenges by effectively modeling complex, non-linear relationships within the data. We begin by exploring the fundamental principles of both collaborative filtering and deep neural networks, laying the groundwork for understanding their integration. Subsequently, we review key advancements in the field, categorizing various deep learning models that enhance CF systems, including Multilayer Perceptrons (MLP), Convolutional Neural Networks (CNN), Recurrent Neural Networks (RNN), Graph Neural Networks (GNN), autoencoders, Generative Adversarial Networks (GAN), and Restricted Boltzmann Machines (RBM). The paper also discusses evaluation protocols, various publicly available auxiliary information, and data features. Furthermore, the survey concludes with a discussion of the challenges and future research opportunities in enhancing collaborative filtering systems with deep learning.

Using Quantum Solved Deep Boltzmann Machines to Increase the Data Efficiency of RL Agents

Deep Learning algorithms, such as those used in Reinforcement Learning, often require large quantities of data to train effectively. In most cases, the availability of data is not a significant issue. However, for some contexts, such as in autonomous cyber defence, we require data efficient methods. Recently, Quantum Machine Learning and Boltzmann Machines have been proposed as solutions to this challenge. In this work we build upon the pre-existing work to extend the use of Deep Boltzmann Machines to the cutting edge algorithm Proximal Policy Optimisation in a Reinforcement Learning cyber defence environment. We show that this approach, when solved using a D-WAVE quantum annealer, can lead to a two-fold increase in data efficiency. We therefore expect it to be used by the machine learning and quantum communities who are hoping to capitalise on data-efficient Reinforcement Learning methods.

A phase transition in sampling from Restricted Boltzmann Machines

Restricted Boltzmann Machines are a class of undirected graphical models that play a key role in deep learning and unsupervised learning. In this study, we prove a phase transition phenomenon in the mixing time of the Gibbs sampler for a one-parameter Restricted Boltzmann Machine. Specifically, the mixing time varies logarithmically, polynomially, and exponentially with the number of vertices depending on whether the parameter $c$ is above, equal to, or below a critical value $c_\star\approx-5.87$. A key insight from our analysis is the link between the Gibbs sampler and a dynamical system, which we utilize to quantify the former based on the behavior of the latter. To study the critical case $c= c_\star$, we develop a new isoperimetric inequality for the sampler's stationary distribution by showing that the distribution is nearly log-concave.

Conditioned quantum-assisted deep generative surrogate for particle-calorimeter interactions

Particle collisions at accelerators such as the Large Hadron Collider, recorded and analyzed by experiments such as ATLAS and CMS, enable exquisite measurements of the Standard Model and searches for new phenomena. Simulations of collision events at these detectors have played a pivotal role in shaping the design of future experiments and analyzing ongoing ones. However, the quest for accuracy in Large Hadron Collider (LHC) collisions comes at an imposing computational cost, with projections estimating the need for millions of CPU-years annually during the High Luminosity LHC (HL-LHC) run \cite{collaboration2022atlas}. Simulating a single LHC event with \textsc{Geant4} currently devours around 1000 CPU seconds, with simulations of the calorimeter subdetectors in particular imposing substantial computational demands \cite{rousseau2023experimental}. To address this challenge, we propose a conditioned quantum-assisted deep generative model. Our model integrates a conditioned variational autoencoder (VAE) on the exterior with a conditioned Restricted Boltzmann Machine (RBM) in the latent space, providing enhanced expressiveness compared to conventional VAEs. The RBM nodes and connections are meticulously engineered to enable the use of qubits and couplers on D-Wave's Pegasus-structured \textit{Advantage} quantum annealer (QA) for sampling. We introduce a novel method for conditioning the quantum-assisted RBM using \textit{flux biases}. We further propose a novel adaptive mapping to estimate the effective inverse temperature in quantum annealers. The effectiveness of our framework is illustrated using Dataset 2 of the CaloChallenge \cite{calochallenge}.

Privacy-hardened and hallucination-resistant synthetic data generation with logic-solvers

Machine-generated data is a valuable resource for training Artificial Intelligence algorithms, evaluating rare workflows, and sharing data under stricter data legislations. The challenge is to generate data that is accurate and private. Current statistical and deep learning methods struggle with large data volumes, are prone to hallucinating scenarios incompatible with reality, and seldom quantify privacy meaningfully. Here we introduce Genomator, a logic solving approach (SAT solving), which efficiently produces private and realistic representations of the original data. We demonstrate the method on genomic data, which arguably is the most complex and private information. Synthetic genomes hold great potential for balancing underrepresented populations in medical research and advancing global data exchange. We benchmark Genomator against state-of-the-art methodologies (Markov generation, Restricted Boltzmann Machine, Generative Adversarial Network and Conditional Restricted Boltzmann Machines), demonstrating an 84-93% accuracy improvement and 95-98% higher privacy. Genomator is also 1000-1600 times more efficient, making it the only tested method that scales to whole genomes. We show the universal trade-off between privacy and accuracy, and use Genomator's tuning capability to cater to all applications along the spectrum, from provable private representations of sensitive cohorts, to datasets with indistinguishable pharmacogenomic profiles. Demonstrating the production-scale generation of tuneable synthetic data can increase trust and pave the way into the clinic.