Kaitlin Gili

Kaitlin Gili, Mohamed Hibat-Allah, Marta Mauri et al.

In recent proposals of quantum circuit models for generative tasks, the discussion about their performance has been limited to their ability to reproduce a known target distribution. For example, expressive model families such as Quantum Circuit Born Machines (QCBMs) have been almost entirely evaluated on their capability to learn a given target distribution with high accuracy. While this aspect may be ideal for some tasks, it limits the scope of a generative model's assessment to its ability to memorize data rather than generalize. As a result, there has been little understanding of a model's generalization performance and the relation between such capability and the resource requirements, e.g., the circuit depth and the amount of training data. In this work, we leverage upon a recently proposed generalization evaluation framework to begin addressing this knowledge gap. We first investigate the QCBM's learning process of a cardinality-constrained distribution and see an increase in generalization performance while increasing the circuit depth. In the 12-qubit example presented here, we observe that with as few as 30% of the valid data in the training set, the QCBM exhibits the best generalization performance toward generating unseen and valid data. Lastly, we assess the QCBM's ability to generalize not only to valid samples, but to high-quality bitstrings distributed according to an adequately re-weighted distribution. We see that the QCBM is able to effectively learn the reweighted dataset and generate unseen samples with higher quality than those in the training set. To the best of our knowledge, this is the first work in the literature that presents the QCBM's generalization performance as an integral evaluation metric for quantum generative models, and demonstrates the QCBM's ability to generalize to high-quality, desired novel samples.

Kaitlin Gili, Mykolas Sveistrys, Chris Ballance

Due to the linearity of quantum mechanics, it remains a challenge to design quantum generative machine learning models that embed non-linear activations into the evolution of the statevector. However, some of the most successful classical generative models, such as those based on neural networks, involve highly non-linear dynamics for quality training. In this paper, we explore the effect of these dynamics in quantum generative modeling by introducing a model that adds non-linear activations via a neural network structure onto the standard Born Machine framework - the Quantum Neuron Born Machine (QNBM). To achieve this, we utilize a previously introduced Quantum Neuron subroutine, which is a repeat-until-success circuit with mid-circuit measurements and classical control. After introducing the QNBM, we investigate how its performance depends on network size, by training a 3-layer QNBM with 4 output neurons and various input and hidden layer sizes. We then compare our non-linear QNBM to the linear Quantum Circuit Born Machine (QCBM). We allocate similar time and memory resources to each model, such that the only major difference is the qubit overhead required by the QNBM. With gradient-based training, we show that while both models can easily learn a trivial uniform probability distribution, on a more challenging class of distributions, the QNBM achieves an almost 3x smaller error rate than a QCBM with a similar number of tunable parameters. We therefore provide evidence that suggests that non-linearity is a useful resource in quantum generative models, and we put forth the QNBM as a new model with good generative performance and potential for quantum advantage.

Kaitlin Gili, Rohan S. Kumar, Mykolas Sveistrys et al.

Recent work has demonstrated the utility of introducing non-linearity through repeat-until-success (RUS) sub-routines into quantum circuits for generative modeling. As a follow-up to this work, we investigate two questions of relevance to the quantum algorithms and machine learning communities: Does introducing this form of non-linearity make the learning model classically simulatable due to the deferred measurement principle? And does introducing this form of non-linearity make the overall model's training more unstable? With respect to the first question, we demonstrate that the RUS sub-routines do not allow us to trivially map this quantum model to a classical one, whereas a model without RUS sub-circuits containing mid-circuit measurements could be mapped to a classical Bayesian network due to the deferred measurement principle of quantum mechanics. This strongly suggests that the proposed form of non-linearity makes the model classically in-efficient to simulate. In the pursuit of the second question, we train larger models than previously shown on three different probability distributions, one continuous and two discrete, and compare the training performance across multiple random trials. We see that while the model is able to perform exceptionally well in some trials, the variance across trials with certain datasets quantifies its relatively poor training stability.

Kaitlin Gili, Mainak Nistala, Kristen Wendell et al.

STEM education researchers are often interested in identifying moments of students' mechanistic reasoning for deeper analysis, but have limited capacity to search through many team conversation transcripts to find segments with a high concentration of such reasoning. We offer a solution in the form of an interpretable machine learning model that outputs time-varying probabilities that individual students are engaging in acts of mechanistic reasoning, leveraging evidence from their own utterances as well as contributions from the rest of the group. Using the toolkit of intentionally-designed probabilistic models, we introduce a specific inductive bias that steers the probabilistic dynamics toward desired, domain-aligned behavior. Experiments compare trained models with and without the inductive bias components, investigating whether their presence improves the desired model behavior on transcripts involving never-before-seen students and a novel discussion context. Our results show that the inductive bias improves generalization -- supporting the claim that interpretability is built into the model for this task rather than imposed post hoc. We conclude with practical recommendations for STEM education researchers seeking to adopt the tool and for ML researchers aiming to extend the model's design. Overall, we hope this work encourages the development of mechanistically interpretable models that are understandable and controllable for both end users and model designers in STEM education research.

Kaitlin Gili, Kyle Heuton, Astha Shah et al.

Advances in machine learning (ML) offer new possibilities for science education research. We report on early progress in the design of an ML-based tool to analyze students' mechanistic sensemaking, working from a coding scheme that is aligned with previous work in physics education research (PER) and amenable to recently developed ML classification strategies using language encoders. We describe pilot tests of the tool, in three versions with different language encoders, to analyze sensemaking evident in college students' written responses to brief conceptual questions. The results show, first, that the tool's measurements of sensemaking can achieve useful agreement with a human coder, and, second, that encoder design choices entail a tradeoff between accuracy and computational expense. We discuss the promise and limitations of this approach, providing examples as to how this measurement scheme may serve PER in the future. We conclude with reflections on the use of ML to support PER research, with cautious optimism for strategies of co-design between PER and ML.

Michael T. Wojnowicz, Kaitlin Gili, Preetish Rath et al.

We seek a computationally efficient model for a collection of time series arising from multiple interacting entities (a.k.a. "agents"). Recent models of temporal patterns across individuals fail to incorporate explicit system-level collective behavior that can influence the trajectories of individual entities. To address this gap in the literature, we present a new hierarchical switching-state model that can be trained in an unsupervised fashion to simultaneously learn both system-level and individual-level dynamics. We employ a latent system-level discrete state Markov chain that provides top-down influence on latent entity-level chains which in turn govern the emission of each observed time series. Recurrent feedback from the observations to the latent chains at both entity and system levels allows recent situational context to inform how dynamics unfold at all levels in bottom-up fashion. We hypothesize that including both top-down and bottom-up influences on group dynamics will improve interpretability of the learned dynamics and reduce error when forecasting. Our hierarchical switching recurrent dynamical model can be learned via closed-form variational coordinate ascent updates to all latent chains that scale linearly in the number of entities. This is asymptotically no more costly than fitting a separate model for each entity. Analysis of both synthetic data and real basketball team movements suggests our lean parametric model can achieve competitive forecasts compared to larger neural network models that require far more computational resources. Further experiments on soldier data as well as a synthetic task with 64 cooperating entities show how our approach can yield interpretable insights about team dynamics over time.

Kaitlin Gili, Marta Mauri, Alejandro Perdomo-Ortiz

As the quantum computing community gravitates towards understanding the practical benefits of quantum computers, having a clear definition and evaluation scheme for assessing practical quantum advantage in the context of specific applications is paramount. Generative modeling, for example, is a widely accepted natural use case for quantum computers, and yet has lacked a concrete approach for quantifying success of quantum models over classical ones. In this work, we construct a simple and unambiguous approach to probe practical quantum advantage for generative modeling by measuring the algorithm's generalization performance. Using the sample-based approach proposed here, any generative model, from state-of-the-art classical generative models such as GANs to quantum models such as Quantum Circuit Born Machines, can be evaluated on the same ground on a concrete well-defined framework. In contrast to other sample-based metrics for probing practical generalization, we leverage constrained optimization problems (e.g., cardinality-constrained problems) and use these discrete datasets to define specific metrics capable of unambiguously measuring the quality of the samples and the model's generalization capabilities for generating data beyond the training set but still within the valid solution space. Additionally, our metrics can diagnose trainability issues such as mode collapse and overfitting, as we illustrate when comparing GANs to quantum-inspired models built out of tensor networks. Our simulation results show that our quantum-inspired models have up to a $68 \times$ enhancement in generating unseen unique and valid samples compared to GANs, and a ratio of 61:2 for generating samples with better quality than those observed in the training set. We foresee these metrics as valuable tools for rigorously defining practical quantum advantage in the domain of generative modeling.

Joe Gibbs, Kaitlin Gili, Zoë Holmes et al.

Moderate-size quantum computers are now publicly accessible over the cloud, opening the exciting possibility of performing dynamical simulations of quantum systems. However, while rapidly improving, these devices have short coherence times, limiting the depth of algorithms that may be successfully implemented. Here we demonstrate that, despite these limitations, it is possible to implement long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on the Rigetti and IBM quantum computers, maintaining a fidelity of at least 0.9 for over 600 time steps. This is a factor of 150 longer than is possible using the iterated Trotter method. Our simulations are performed using a new algorithm that we call the fixed state Variational Fast Forwarding (fsVFF) algorithm. This algorithm decreases the circuit depth and width required for a quantum simulation by finding an approximate diagonalization of a short time evolution unitary. Crucially, fsVFF only requires finding a diagonalization on the subspace spanned by the initial state, rather than on the total Hilbert space as with previous methods, substantially reducing the required resources. We further demonstrate the viability of fsVFF through large numerical implementations of the algorithm, as well as an analysis of its noise resilience and the scaling of simulation errors.

Abhijat Sarma, Rupak Chatterjee, Kaitlin Gili et al.

Machine learning algorithms perform well on identifying patterns in many different datasets due to their versatility. However, as one increases the size of the dataset, the computation time for training and using these statistical models grows quickly. Quantum computing offers a new paradigm which may have the ability to overcome these computational difficulties. Here, we propose a quantum analogue to K-means clustering, implement it on simulated superconducting qubits, and compare it to a previously developed quantum support vector machine. We find the algorithm's accuracy comparable to the classical K-means algorithm for clustering and classification problems, and find that it has asymptotic complexity $O(N^{3/2}K^{1/2}\log{P})$, where $N$ is the number of data points, $K$ is the number of clusters, and $P$ is the dimension of the data points, giving a significant speedup over the classical analogue.