Abstract:Extracting quantum information from a quantum state is a fundamental task of quantum computation, often requiring the estimation of many non-commuting observables under a finite measurement budget. For both near-term and early fault-tolerant settings, the measurement protocol must balance statistical efficiency against implementation resources such as circuit depth, connectivity, and entangling-gate count. Many existing strategies focus on two extremes: hardware-friendly product measurements with high sampling cost, and fully commuting measurements with deep circuits. Here we recast resource-constrained measurement design as a generative learning problem. We introduce FlowMeas, which uses a generative flow network to directly sample finite ensembles of shallow Clifford measurement circuits subject to a prescribed shot budget and hardware constraints. At zero entangling depth, FlowMeas learns qubit-wise commuting measurement schedules and already matches or improves leading product-measurement methods on nearly all molecular benchmarks. Allowing one or two entangling gate layers yields further reductions in energy estimation error of up to $27\%$ relative to the strongest state-independent product-measurement baseline. The learned policy can also be reused across related Hamiltonians, substantially accelerating retraining along a molecular potential-energy surface. We further obtain results for molecular Hamiltonians with up to 20 qubits and apply the framework to a compactly encoded 54-qubit interacting fermionic model, extending the demonstrated scale beyond prior molecular benchmarks. These results establish generative learning as a flexible and unified framework for quantum measurement design under practical resource constraints.
Abstract:A theoretical understanding of Transformers is crucial to better understand the capacities and limitations of large language models (LLMs). There is much work analyzing the expressivity of attention-based models. By proposing handcrafted weights or using computational complexity arguments, a large amount of past theoretical works have sought to characterize which tasks are and which are not in the hypothesis class of Transformer models. However, little work investigates the learnability of such solutions. In this work, we make progress towards this goal. Inspired by recent loss landscape analysis work, we propose preliminary sample complexity bounds for learning C-RASP constructions with Transformers.
Abstract:Shapley values are a widely used tool for attributing importance and interactions among input variables in black-box models, but their computation involves a function defined over an exponentially large space of subsets. We propose TN-SHAP-G, a framework that exploits structure in graph-structured inputs to compute Shapley values and higher-order interaction indices efficiently. Given a predictor and a fixed masking scheme, TN-SHAP-G learns a compact, graph-aligned multilinear surrogate that approximates the masked-input behavior, represented as a tensor network whose topology mirrors the input graph. Once trained from a small number of oracle queries, the surrogate enables deterministic recovery of first- and higher-order Shapley indices via the multilinear extension, without additional model queries or Monte Carlo variance. Experiments on molecular benchmarks show that the learned factorization closely matches exact Shapley values on small graphs and scales efficiently to larger graphs where sampling-based methods become infeasible.
Abstract:Latent reasoning via continuous chain-of-thoughts (Latent CoT) has emerged as a promising alternative to discrete CoT reasoning. Operating in continuous space increases expressivity and has been hypothesized to enable superposition: the ability to maintain multiple candidate solutions simultaneously within a single representation. Despite theoretical arguments, it remains unclear whether language models actually leverage superposition when reasoning using latent CoTs. We investigate this question across three regimes: a training-free regime that constructs latent thoughts as convex combinations of token embeddings, a fine-tuned regime where a base model is adapted to produce latent thoughts, and a from-scratch regime where a model is trained entirely with latent thoughts to solve a given task. Using Logit Lens and entity-level probing to analyze internal representations, we find that only models trained from scratch exhibit signs of using superposition. In the training-free and fine-tuned regimes, we find that the superposition either collapses or is not used at all, with models discovering shortcut solutions instead. We argue that this is due to two complementary phenomena: i) pretraining on natural language data biases models to commit to a token in the last layers ii) capacity has a huge effect on which solutions a model favors. Together, our results offer a unified explanation for when and why superposition arises in continuous chain-of-thought reasoning, and identify the conditions under which it collapses.
Abstract:The benefits of depth in feedforward neural networks are well known: composing multiple layers of linear transformations with nonlinear activations enables complex computations. While similar effects are expected in recurrent neural networks (RNNs), it remains unclear how depth interacts with recurrence to shape expressive power. Here, we formally show that depth increases RNNs' memory capacity efficiently with respect to the number of parameters, thus enhancing expressivity both by enabling more complex input transformations and improving the retention of past information. We broaden our analysis to 2RNNs, a generalization of RNNs with multiplicative interactions between inputs and hidden states. Unlike RNNs, which remain linear without nonlinear activations, 2RNNs perform polynomial transformations whose maximal degree grows with depth. We further show that multiplicative interactions cannot, in general, be replaced by layerwise nonlinearities. Finally, we validate these insights empirically on synthetic and real-world tasks.
Abstract:Model merging provides a way of cheaply combining individual models to produce a model that inherits each individual's capabilities. While some merging methods can approach the performance of multitask training, they are often heuristically motivated and lack theoretical justification. A principled alternative is to pose model merging as a layer-wise optimization problem that directly minimizes interference between tasks. However, this formulation requires estimating per-layer covariance matrices from data, which may not be available when performing merging. In contrast, many of the heuristically-motivated methods do not require auxiliary data, making them practically advantageous. In this work, we revisit the interference minimization framework and show that, under certain conditions, covariance matrices can be estimated directly from difference matrices, eliminating the need for data while also reducing computational costs. We validate our approach across vision and language benchmarks on models ranging from 86M parameters to 7B parameters, outperforming previous data-free state-of-the-art merging methods
Abstract:This paper investigates the grokking phenomenon, which refers to the sudden transition from a long memorization to generalization observed during neural networks training, in the context of learning multiplication in finite-dimensional algebras (FDA). While prior work on grokking has focused mainly on group operations, we extend the analysis to more general algebraic structures, including non-associative, non-commutative, and non-unital algebras. We show that learning group operations is a special case of learning FDA, and that learning multiplication in FDA amounts to learning a bilinear product specified by the algebra's structure tensor. For algebras over the reals, we connect the learning problem to matrix factorization with an implicit low-rank bias, and for algebras over finite fields, we show that grokking emerges naturally as models must learn discrete representations of algebraic elements. This leads us to experimentally investigate the following core questions: (i) how do algebraic properties such as commutativity, associativity, and unitality influence both the emergence and timing of grokking, (ii) how structural properties of the structure tensor of the FDA, such as sparsity and rank, influence generalization, and (iii) to what extent generalization correlates with the model learning latent embeddings aligned with the algebra's representation. Our work provides a unified framework for grokking across algebraic structures and new insights into how mathematical structure governs neural network generalization dynamics.
Abstract:Designing efficient quantum circuits is a central bottleneck to exploring the potential of quantum computing, particularly for noisy intermediate-scale quantum (NISQ) devices, where circuit efficiency and resilience to errors are paramount. The search space of gate sequences grows combinatorially, and handcrafted templates often waste scarce qubit and depth budgets. We introduce \textsc{FlowQ-Net} (Flow-based Quantum design Network), a generative framework for automated quantum circuit synthesis based on Generative Flow Networks (GFlowNets). This framework learns a stochastic policy to construct circuits sequentially, sampling them in proportion to a flexible, user-defined reward function that can encode multiple design objectives such as performance, depth, and gate count. This approach uniquely enables the generation of a diverse ensemble of high-quality circuits, moving beyond single-solution optimization. We demonstrate the efficacy of \textsc{FlowQ-Net} through an extensive set of simulations. We apply our method to Variational Quantum Algorithm (VQA) ansatz design for molecular ground state estimation, Max-Cut, and image classification, key challenges in near-term quantum computing. Circuits designed by \textsc{FlowQ-Net} achieve significant improvements, yielding circuits that are 10$\times$-30$\times$ more compact in terms of parameters, gates, and depth compared to commonly used unitary baselines, without compromising accuracy. This trend holds even when subjected to error profiles from real-world quantum devices. Our results underline the potential of generative models as a general-purpose methodology for automated quantum circuit design, offering a promising path towards more efficient quantum algorithms and accelerating scientific discovery in the quantum domain.
Abstract:Grokking refers to a delayed generalization following overfitting when optimizing artificial neural networks with gradient-based methods. In this work, we demonstrate that grokking can be induced by regularization, either explicit or implicit. More precisely, we show that when there exists a model with a property $P$ (e.g., sparse or low-rank weights) that generalizes on the problem of interest, gradient descent with a small but non-zero regularization of $P$ (e.g., $\ell_1$ or nuclear norm regularization) results in grokking. This extends previous work showing that small non-zero weight decay induces grokking. Moreover, our analysis shows that over-parameterization by adding depth makes it possible to grok or ungrok without explicitly using regularization, which is impossible in shallow cases. We further show that the $\ell_2$ norm is not a reliable proxy for generalization when the model is regularized toward a different property $P$, as the $\ell_2$ norm grows in many cases where no weight decay is used, but the model generalizes anyway. We also show that grokking can be amplified solely through data selection, with any other hyperparameter fixed.
Abstract:In this paper, we tackle the challenge of predicting stock movements in financial markets by introducing Higher Order Transformers, a novel architecture designed for processing multivariate time-series data. We extend the self-attention mechanism and the transformer architecture to a higher order, effectively capturing complex market dynamics across time and variables. To manage computational complexity, we propose a low-rank approximation of the potentially large attention tensor using tensor decomposition and employ kernel attention, reducing complexity to linear with respect to the data size. Additionally, we present an encoder-decoder model that integrates technical and fundamental analysis, utilizing multimodal signals from historical prices and related tweets. Our experiments on the Stocknet dataset demonstrate the effectiveness of our method, highlighting its potential for enhancing stock movement prediction in financial markets.