A quantum circuit designed for efficient statistical model preparation and training.
problem Challenges in preparing and learning statistical models on quantum processors.
method Utilizes the maximum entropy principle to design a statistics-informed parameterized quantum circuit (SI-PQC).
result Improves trainability and interpretability for learning quantum states and classical model parameters.
Physicists use quantum models to describe the behavior of physical systems. Quantum models owe their success to their interpretability, to their relation to probabilistic models (quantization of classical models) and to their high predictive power. Beyond physics, these properties are valuable in general data science. …
A new optimizer saves significant shots in quantum machine learning.
problem Training variational QML algorithms is challenging due to large datasets and shot-count overhead.
method Proposed Refoqus optimizer that samples over both dataset and measurement operators.
result Refoqus can save several orders of magnitude in shot cost compared to existing methods.
A new approach to quantum machine learning circuits reduces training difficulties.
problem Challenges in training deep quantum circuits due to flat training landscapes.
method Variable structure approach (VAns) to build ansatzes, applying rules for gate growth and removal.
result VAns successfully mitigates trainability and noise-related issues, improving performance in various applications.
Introduces Quantum Data Center for quantum era benefits.
problem No specific problem stated; focuses on future potential.
method Combines QRAM and quantum networks.
result QDC offers efficiency, security, and precision.
Quantum memory limits set by relativity theory.
problem Quantum memory efficiency and relativity constraints.
method Relativistic quantum field theory and Lieb-Robinson bounds.
result Quantum memory capacity is limited by fundamental physics.
Quantum walk algorithm optimizes quantum state preparation for financial simulations.
problem Efficiently loading classical data into quantum states for quantum computers.
method Split-step quantum walks (SSQW) to design parameterized quantum circuits (PQC).
result SSQW facilitates generating desired probability amplitude distributions for quantum simulations.
Quantum model discovery uses DQCs to solve equations from data.
problem Discovering differential equations from data using quantum computing.
method Differentiable quantum circuits (DQCs) to solve parameterized equations, regression on data and equations.
result Successful parameter inference and equation discovery on various systems.
Quantum Kerr learning shows enhancements in convergence and generalization for kernel-based methods.
problem Improving convergence and generalization in kernel-based methods for quantum computing.
method Combining quantum mechanics with neural tangent kernel theory and first-order perturbation theory.
result Quantum enhancements in terms of convergence time and generalization error.
Data science models, although successful in a number of commercial domains, have had limited applicability in scientific problems involving complex physical phenomena. Theory-guided data science (TGDS) is an emerging paradigm that aims to leverage the wealth of scientific knowledge for improving the effectiveness of da…
Quantum mechanics fundamentally forbids deterministic discrimination of quantum states and processes. However, the ability to optimally distinguish various classes of quantum data is an important primitive in quantum information science. In this work, we train near-term quantum circuits to classify data represented by …
This work explores using deep NNs to learn quantum systems from probability distributions.
problem Learning quantum systems from limited probability distribution data.
method Using deep neural networks to reconstruct quantum Hamiltonian from probability distributions.
result Deep neural networks can learn quantum Hamiltonians from probability distributions.
Unified approach for learning quantum operations from measurements.
problem Accurate reconstruction of unknown quantum operations from noisy measurements.
method Matrix sensing techniques, randomized measurement design, blockwise measurement design, alternating least squares (ALS).
result The proposed method provides theoretical guarantees for the identifiability and recovery of low-rank superoperators in the presence of noise.
Quantum mechanics models human perception and decision-making, offering a new approach to understanding social dynamics.
problem Understanding the complex interactions between individuals and groups in social networks.
method Developed a simple computational code based on quantum mechanics principles to model human perception and decision-making.
result Quantum-inspired models can help explain differences in individual and group behavior.
Quantum machine learning faces challenges similar to variational quantum algorithms in training.
problem Challenges in training quantum machine learning models.
method Bridge between variational quantum algorithms and quantum machine learning, applying gradient scaling results.
result Gradient scaling results for variational quantum algorithms can also be applied to quantum machine learning models, revealing new trainability issues.
Quantum dynamics reveals hidden geometric structure in data.
problem Understanding complex, high-dimensional datasets through geometric structure.
method Introducing semiclassical and microlocal analysis to data analysis.
result First tractable algorithm for approximating wave dynamics and geodesics on data manifolds.
Deep QMC methods use neural networks to solve quantum chemistry problems.
problem Solving the electronic Schrödinger equation from first principles.
method Quantum Monte Carlo with neural network wavefunctions.
result Highly accurate solutions at reduced computational cost.
We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy…
Machine learning speeds up quantum chemical calculations of excited states.
problem Accurate quantum chemical calculations of excited states are computationally expensive.
method Employing machine learning to speed up and advance excited-state simulations in various fields.
result Machine learning techniques can significantly reduce computational time for excited-state simulations.
Non-associtive algebras is a research direction gaining much attention these days. New developments show that associative algebras and some not-associative structures can be unified at the level of Yang-Baxter structures. In this paper, we present a unification for associative algebras, Jordan algebras and Lie algebras…
Quantum walks are at the heart of modern quantum technologies. They allow to deal with quantum transport phenomena and are an advanced tool for constructing novel quantum algorithms. Quantum walks on graphs are fundamentally different from classical random walks analogs, in particular, they walk faster than classical o…
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical properties, they do not explicitly capture the electronic degrees of freedom of a molecule…
Hamiltonian Monte Carlo (HMC) is an efficient Bayesian sampling method that can make distant proposals in the parameter space by simulating a Hamiltonian dynamical system. Despite its popularity in machine learning and data science, HMC is inefficient to sample from spiky and multimodal distributions. Motivated by the …
Quantum machine learning has received significant attention in recent years, and promising progress has been made in the development of quantum algorithms to speed up traditional machine learning tasks. In this work, however, we focus on investigating the information-theoretic upper bounds of sample complexity - how ma…
Single T-gate makes distribution learning hard for deep circuits.
problem Learning probability distributions from quantum circuits.
method Characterization of learnability and simulatability of quantum circuit outputs.
result Injection of a single T-gate into depth n^Ω(1) circuits makes distribution learning hard.
Equivariant flows learn symmetrical distributions on manifolds.
problem Learning symmetrical distributions on arbitrary manifolds.
method Equivariant manifold flows.
result Learned gauge invariant densities over SU(n) in quantum field theory.
New dataset abla2DFT for drug-like molecules benchmarks neural network potentials.
problem Lack of large, diverse datasets for training neural network potentials in quantum chemistry.
method Developed a new dataset abla2DFT containing energies, forces, and molecular properties for drug-like molecules. result First dataset with relaxation trajectories for drug-like molecules.
With the rise of deep neural networks for quantum chemistry applications, there is a pressing need for architectures that, beyond delivering accurate predictions of chemical properties, are readily interpretable by researchers. Here, we describe interpretation techniques for atomistic neural networks on the example of …
Quantum probability metrics improve distribution comparison in high dimensions.
problem Challenges in comparing probability distributions, especially in high-dimensional and non-compact domains.
method Quantum probability metrics (QPMs) derived from quantum state spaces, overcoming limitations of MMD.
result QPMs offer enhanced sensitivity to subtle distributional differences in high dimensions and improve performance in generative modeling.
The abstract explores a new wave equation linking quantum mechanics and complex adaptive systems.
problem Understanding the underlying mechanism of distribution formation in complex quantum entanglement.
method Exploring the logical relationship between Schrödinger's wave equation and Shi's trading volume-price wave equation in finance.
result A non-localized wave equation in quantum mechanics reveals the invariance of interaction as a universal law.
Physics: Similar long-distance properties can mask vastly different short-distance metrics.
problem Classifying homogeneous metrics on group manifolds by long-distance properties.
method Apply universality concept to geometry, focusing on metrics on Lie groups.
result Many metrics on low-dimensional Lie groups have similar long-distance properties despite differing short-distance properties.
Submodular functions are set functions mapping every subset of some ground set of size n into the real numbers and satisfying the diminishing returns property. Submodular minimization is an important field in discrete optimization theory due to its relevance for various branches of mathematics, computer science and e…
Mock modular forms have found applications in numerous branches of mathematical sciences since they were first introduced by Ramanujan nearly a century ago. In this proceeding we highlight a new area where mock modular forms start to play an important role, namely the study of three-manifold invariants. For a certain c…
New framework for cyclic quantum causal models with graph separation property.
problem Understanding causal relationships in feedback processes and exotic scenarios.
method Introducing a robust probability rule and a novel graph-separation property, p-separation.
result Established graph-separation properties for all consistent cyclic causal models.
Causal inference from observational data is the goal of many data analyses in the health and social sciences. However, academic statistics has often frowned upon data analyses with a causal objective. The introduction of the term "data science" provides a historic opportunity to redefine data analysis in such a way tha…
Data Science is currently a popular field of science attracting expertise from very diverse backgrounds. Current learning practices need to acknowledge this and adapt to it. This paper summarises some experiences relating to such learning approaches from teaching a postgraduate Data Science module, and draws some learn…
Quantum mechanics applied to credit loans for better repayment schedules.
problem Improving repayment schedules for credit loans.
method Introducing quantum mechanics concepts to credit loans, defining operators for debt, amortization, interest, and installments, and using SO(M) symmetry to optimize periodic payments.
result Optimized repayment schedules for borrowers without altering lender's earnings.
Today, the prominence of data science within organizations has given rise to teams of data science workers collaborating on extracting insights from data, as opposed to individual data scientists working alone. However, we still lack a deep understanding of how data science workers collaborate in practice. In this work…
Defines data science as a natural ecosystem with challenges and missions.
problem Challenges and missions in data science due to 5D complexities and data life cycle phases.
method Systemic and data-centric view of data science as a fusion of data universe and its challenges, formalizing a general-purpose architecture.
result Essential data science as a natural ecosystem integrating specific disciplines and high-impact applications.
Foundation models alter medical data science workflow, challenging veridical data science principles.
problem Foundation models disrupt traditional data science practices in medicine.
method Critically examined the medical foundation model lifecycle and its deviation from veridical data science principles.
result Foundation models challenge veridical data science principles of predictability, computability, and stability.
A multi-scale model predicts atomic-scale properties using both local and long-range information.
problem Inability of machine-learning schemes to capture long-range physical effects.
method Combines local and non-local information in a multipole expansion framework.
result Demonstrates the ability to model electrostatics, polarization, and dispersion.
In this essay, I attempt to provide supporting evidence as well as some balance for the thesis on `Transforming socio-economics with a new epistemology' presented by Hollingworth and Mueller (2008). First, I review a personal highlight of my own scientific path that illustrates the power of interdisciplinarity as well …
Quantum ML promises faster data analysis but faces trainability challenges.
problem Challenges in training quantum machine learning models.
method Review of current methods and applications of quantum neural networks and quantum deep learning.
result Opportunities for quantum advantage in quantum machine learning.
Quantum algorithm speeds up MIP solving by a near-quadratic factor.
problem Solving Mixed Integer Programs (MIPs) efficiently.
method Incremental-Quantum-Branch-and-Bound algorithm combining quantum speedup with classical search heuristics.
result Universal near-quadratic speedup over classical Branch-and-Bound algorithms.
ML methods improve planetary science data analysis.
problem Insufficient use of ML in planetary science.
method Ten recommendations for integrating ML in planetary science.
result Expanding planetary science insights from large datasets.
QCML uses quantum geometry to represent data.
problem Data representation and the curse of dimensionality.
method QCML encodes data as Hermitian matrices in Hilbert space.
result Data geometry reveals intrinsic dimension and topological properties.
Q-CurL optimizes quantum learning with a curriculum design.
problem Efficiently training quantum models with limited resources.
method Quantum curriculum learning framework.
result Q-CurL enhances training convergence and generalization.
Data science enhances knot theory by analyzing invariant relations.
problem Understanding the complex relations between knot invariants.
method Topological data analysis applied to knot theory.
result New insights into long-standing conjectures about knots.