We give a complete characterization of equivariant multi-head self-attention (MHSA): if an MHSA layer is equivariant to a symmetry group $G$, then $G$ can only act by permuting head-clusters, with QK and OV matrices satisfying an equivariance constraint tied to the group action. As a consequence, we prove that any fixed MHSA architecture that achieves exact equivariance by polynomially parameterizing unconstrained MHSA parameters inevitably leads to expressivity loss within the class of equivariant maps: the equivariance locus of unconstrained MHSA forms a union of extremely many Zariski-irreducible components in a reduced parameter space, and any single architecture covers at most one. For $G=D_4$ acting on $C$ copies of the regular representation as the token feature space, we show that there are $Ω(C^{64})$ components for eight attention heads.
Spiking neural networks (SNNs) are often regarded as energy-efficient alternatives to artificial neural networks (ANNs), yet their advantage depends critically on both network architecture and data properties. We develop an analytical framework to compare fully-connected ReLU ANNs and integrate-and-fire SNNs for time-series data with respect to their theoretical energy efficiency at matched expressive capacity. By relating an inference-energy model to theoretical bounds on representational expressivity, we derive an expressivity-normalized efficiency ratio and explicit thresholds in network width, spike sparsity, and ANN depth scaling. Our analysis characterizes the regimes in which event-driven computation offsets the temporal overhead of SNNs, providing capacity-aware principles for designing energy-efficient temporal networks. It shows that ANNs exceed SNNs in expressivity-normalized efficiency only in specific regimes.
We prove a depth hierarchy for ReLU neural networks in which every additional ReLU layer can save exponentially many neurons. For all $k\geq2$, we construct a globally $[0,1]$-valued, $1$-Lipschitz function realized by a depth-$(k+1)$ network of width $\mathcal{O}(d^4)$, whereas any depth-$k$ network with unrestricted weights and width at most $\frac{2^d}{2d(k-1)}$ has squared $L_2$ error at least $1/24$ under an absolutely continuous distribution supported at exponential distance from the origin. To the best of our knowledge, this is the first exponential hierarchy across all adjacent fixed depths, and the first exponential separation for ReLU networks between two fixed depths whose shallower network has depth at least $3$. The lower bound also immediately yields the corresponding hierarchy for exact computation. Moreover, the case $k=2$ gives a compactly supported separation between depths $3$ and $2$ with unrestricted shallow-network weights, answering a question raised by Safran, Eldan, and Shamir (2019). The distribution used in our construction nevertheless has all its mass at exponential radius, placing the hierarchy outside the regularity regime in which such a separation would imply major threshold-circuit lower bounds. We also prove an exact separation for a more regular target, which is globally $[0,1]$-valued and $\mathcal{O}(\sqrt d)$-Lipschitz and maps the unit hypercube onto $[0,1]$. It is computed by a polynomial-width depth-$4$ network, whereas any depth-$3$ network agreeing with it on the unit hypercube requires exponentially many first-layer neurons, even with unrestricted weights.
Hong-Yi Wang, Mingze Wang, Liu Ziyincs.LG cond-mat.dis-nn cs.IT
It has long been known that well-trained neural networks can be compressed very strongly without affecting their performance, an important phenomenon that remains poorly understood. We prove a uniform compressibility theorem for deep multilayer perceptrons with analytic activations. For a deep, wide fixed teacher network, there exists a narrow (same depth) network that approximately represents the same function as the original. The reachable compressed width is strikingly independent of the original width, but is $O((\log(1/\varepsilon))^{d_{in}})$, where $\varepsilon$ is the error budget and $d_{in}$ is the effective input dimension. Our construction involves a novel derivative-matching technique which is aware of the low-dimensional input, and a layer-wise reweighting that preserves the input-output mapping.
Graph neural networks (GNNs) are widely used, but how parameter sparsity affects the expressivity of relational (RGNNs) and temporal (TGNNs) variants is poorly understood. The Strong Expressive Lottery Ticket Hypothesis (SELTH) posits the existence of sparse GNNs that preserve Weisfeiler-Leman (WL) expressivity on static graphs. We generalize this existence result to a probabilistic statement for multi-relational and temporal domains via the relational WL (RWL). We prove that sufficiently parameterized RGNNs contain sparse subnetworks that maintain 1-RWL expressivity and derive a lower bound on the probability that a random pruning yields such a subnetwork. We show that common TGNNs and cross-graph message passing schemes admit RGNN reformulations such that they inherit these guarantees and, moreover, that the expressivity of a sparse RGNN is connected to its optimization behavior under common update regimes. Experiments instantiate the bound, compare it to empirical probabilities on synthetic data, and study how pre-training expressivity relates to optimization and prediction quality metrics on temporal and molecular benchmarks.
Contrastive learning has become a cornerstone of modern representation learning, powering CLIP-style models that underpin text-to-image generation, vision-language models, and retrieval across a rapidly growing range of modalities. Despite this empirical success, the expressive power of these architectures remains poorly understood. To gain insight, we study expressivity by adopting a population-level, density-estimation viewpoint: each architecture comprises a parameterized set of densities whose parameters may be chosen to approximate the joint distribution of the modalities. This isolates a question of pure representational capacity: which joint distributions can a given contrastive family of parameterizations approximate to arbitrary accuracy? We show that expressivity is sharply architecture-dependent. For two modalities, the simple two-tower CLIP architecture is a universal approximator. A natural generalization of CLIP, widely used in practice when three or more modalities are present, is based on a loss found by summing over all pairwise similarities. This provably cannot represent arbitrary joint distributions, although we prove that it remains expressive enough to match all pairwise conditionals. Motivated by this gap, we propose Hadamard-CLIP, which adds a single learned weight vector on top of the existing encoders and restores universal approximation of the joint for any number of modalities while preserving CLIP's fast, precomputable-embedding retrieval.
Nicholas Sanders, Gustav Eje Henter, Simon King +1eess.AS cs.CL cs.SD
Expressive text-to-speech (TTS) systems that use explicit conditioning labels provide direct and interpretable control over expressive attributes, in contrast to reference-based or prompting-based approaches, but require labeled data. Obtaining these labels at scale is costly and time-consuming, yet no prior semi-supervised framework addresses this specific bottleneck. Existing semi-supervised TTS methods instead target scarcity of paired speech-text data or transcriptions. To address the scarcity of expressive labels, we propose an Iterative Self-Learning (ISL) framework for expressive TTS, built on Invert-Classify, a classifier-free method that recovers discrete expressive labels by inverting a frozen generative model. The framework iteratively pseudo-labels unlabeled speech using the current model, retrains on the combined labeled and pseudo-labeled data, and repeats, progressively refining label quality and synthesis. We validate on two expressive tasks, word-level prominence and utterance-level emotion, across multiple low-resource data splits. We find that iterative refinement can improve pseudo-label accuracy over single-pass baselines. Furthermore, we observe that these improvements in pseudo-labeling of expressivity translate to gains in expressive label adherence and synthesis quality, confirmed by objective metrics and human listening tests. In the most data-scarce conditions, ISL-trained models outperform single-pass pseudo-labeling and further approach fully supervised performance, demonstrating that gradient-based ISL is an effective solution to expressive label scarcity in low-resource TTS.
Pablo Barceló, Floris Geerts, Matthias Lanzinger +2cs.LG cs.LO
We prove that, on finite simple undirected graphs equipped with a single Boolean node feature, the Boolean queries expressible in $Σ$-MPLang, for any collection $Σ$ of eventually constant activation functions and with arbitrary real coefficients, form a strict subclass of the Boolean queries expressible in ReLU-MPLang. We thereby settle a recently posed open problem: whether ReLU-MPLang is more powerful than trReLU-MPLang when it comes to Boolean queries. In particular, this implies that ReLU-GNNs are strictly more expressive than {TrReLU,id}-GNNs with respect to Boolean queries on Boolean-featured graphs.
Equivariant Neural Networks (ENNs) have empowered numerous applications in scientific fields. Despite their remarkable capacity for representing geometric structures, ENNs suffer from degraded expressivity when processing symmetric inputs: the output representations are invariant to transformations that extend beyond the input's symmetries. The mathematical essence of this phenomenon is that a symmetric input, after being processed by an equivariant map, experiences an increase in symmetry. While prior research has documented symmetry increase in specific cases, a rigorous understanding of its underlying causes and general reduction strategies remains lacking. In this paper, we provide a detailed and in-depth characterization of symmetry increase together with a principled framework for its reduction: (i) For any given feature space and input symmetry group, we prove that the increased symmetry admits an infimum determined by the structure of the feature space; (ii) Building on this foundation, we develop a computable algorithm to derive this infimum, and propose practical guidelines for feature design to prevent harmful symmetry increases. (iii) Under standard regularity assumptions, we demonstrate that for most equivariant maps, our guidelines effectively reduce symmetry increase. To complement our theoretical findings, we provide visualizations and experiments on both synthetic datasets and the real-world QM9 dataset. The results validate our theoretical predictions.
Two accounts recur in explanations of the success of rotary position embeddings (RoPE). Expressivity studies associate periodic position information with modular predicates, whereas mechanistic and long-context studies emphasize positional anchors and local offsets. We formalize both accounts for fully uniform, finite-precision soft-attention transformers. We find that, if every rotary component is periodic, RoPE transformers recognize exactly the languages definable in past temporal logic with modular predicates. Conventional RoPE is different: The rotations it computes never repeat. This yields a precision-dependent bounded simulation of fixed-offset look-back operators, rather than an all-length modular characterization. Controlled experiments match this separation: Constructed periodic schedules length-generalize on modular languages, while conventional RoPE behaves more like a bounded locality bias and can impair tasks requiring position-invariant access to distant context. Altogether, our findings shed light on RoPE transformers, bringing theoretical expressivity characterizations closer to models used in practice.
Full attention exposes every token pair, whereas kernel attention compresses a sequence into a fixed-dimensional sketch. We show that this distinction becomes exponential at the first context length containing two competing candidates. On Min-IP over Boolean inputs, rank-one normalized kernel attention solves every sequence of length at most two exactly. In contrast, any single normalized nonnegative kernel-attention head that succeeds on all three-token sequences with error strictly below $1/2$ requires $2^{Ω(m)}$ features, even with arbitrary finite-dimensional tokenwise values and an arbitrary query-dependent affine readout. Dense softmax solves the same task with $m$-dimensional scores and constant temperature. The conclusion survives position-dependent token maps and a causal final query. As context length grows, the lower bound approaches the exact $2^m$-feature realization. Separately, for deterministic multihead, multilayer sketch models whose cross-token channels have finite alphabets, we prove a transcript lower bound linear in the number of independent answers and logarithmic in their alphabet size.
Multi-head attention combines an input-dependent softmax routing with an input-independent linear value projection, so the per-sample operator mapping aggregated values to outputs is the same for every input set. We study the consequences of this asymmetry for permutation-invariant set targets. We introduce the Transformation Degrees of Freedom (TDOF) of a target operator, a complexity measure counting the input-dependent directions an exact representation requires, and present a depth-separation analysis showing that context-rigid attention needs depth proportional to the target's TDOF, whereas a single layer with a context-adaptive value family can represent the same target. Building on this analysis, we propose Matrix Zonotopic Attention (MZAttn), which replaces the fixed value projection with a context-adaptive matrix-zonotope family: a centre matrix plus a sum of generator matrices weighted by input-dependent gates. The construction reduces to standard multi-head attention at initialisation, preserves permutation equivariance, and admits a data-driven reachability interpretation. Experiments on a range of set-prediction tasks are consistent with the TDOF prediction that the architectural advantage is selective: it appears on targets that depend on the input set in a high-rank, sparsely combinatorial way, and is small on aggregate-statistic targets where parameter-matched standard attention is already competitive.
Virtual nodes give message-passing neural networks a simple global communication route, but the standard node--VN--node pipeline compresses the graph into one homogeneous state and broadcasts it identically to every node. Building on the Two-Radius analysis of Mishayev et al., we ask how auxiliary virtual memory can relieve this finite-capacity bottleneck without self-attention. We identify two requirements. First, the global memory should be factorized into independently writable and readable states: this can be achieved using addressable cross-attention slots. Second, addressability alone does not preserve multiplicity, because softmax attention is invariant to uniform replication. Inserting each slot query as a private key/value anchor recovers the discarded normalization mass and yields, on bounded color domains, an injective multiset representation able to implement a 1-WL refinement. Experiments on multiplicity-aware Two-Radius, motif counting, and constrained link-set prediction support this addressable and cardinality-preserving virtual memory at (O(nMd)) arithmetic cost.
Franz Nowak, Ryan Cotterell, Reda Boumasmoudcs.FL cs.LG
What types of decision problems can a causally masked, finite-precision transformer solve for inputs of arbitrary length? Existing answers often rely on idealized arithmetic, but under finite precision, rounding and evaluation order can change what information attention retains and therefore what the model can compute. We develop an algebraic formalization that derives expressivity directly from the model's implemented dynamics. Its central object is its memory; the finite internal state computed by attention that summarizes the information from the prefix available to all future queries. Each attention head updates its own state independently within a layer, while layers compose hierarchically, providing a uniform route from model assumptions to expressivity bounds. Applying this method to transformers without positional embeddings, we obtain an expressivity hierarchy governed by the attention type under specific numerical semantics. Width-one sliding-window attention supports bounded-suffix memory, while a modified form of soft attention supports irreversible, checklist-like state, and combining the two mechanisms provides an interplay of both. Ordinary left-to-right floating-point soft attention can realize more expressive memory operations than any of the above. Algebraically, the four cases correspond to definite, R-trivial, locally R-trivial, and aperiodic semigroups. Under an explicit free-wiring assumption, all four bounds are tight.
Alexander Kozachinskiy, Vicente Opazo, Felipe Urrutiacs.LG cs.AI
We study information bottlenecks in modern deep-learning architectures -- RNNs, softmax transformers, linear-attention transformers and state-space models -- through the lens of the indexing primitive. In this primitive, the input consists of $n$ bits and one integer $i$ from $1$ to $n$ called the index, and the output equals the value of the $i$-th bit. We introduce causal complexity for masked architectures. We show that architectures with low causal complexity cannot solve the indexing primitive in any constant number of layers when the index appears at the end of the input. In particular, this limitation applies to low-parameter RNNs, SSMs and masked linear-attention transformers. In contrast, small softmax transformers can solve it in one layer, while non-masked linear-attention transformers can solve it in 2, which separates them from their masked counterparts. In turn, when the index appears at the beginning, we show that small RNNs are capable of solving this task in 1 layer, while all the other architectures require 2. All our impossibility results are unconditional and apply even to models that employ infinite-precision real arithmetic. Moreover, experiments for up to $n=64$ qualitatively align with our theory: configurations with low-parameter theoretical solutions learn the indexing task easily, while configurations that do not admit such theoretical solutions struggle to learn as the sequence length grows.
Gianluca Peri, Diego Febbe, Duccio Fanellics.LG cs.AI
Neural hypergraphs are a natural generalization of neural networks, the reference models in modern machine learning. Yet, their deployment has proven demanding: the number of weighted hyperedges required leads to an intractable parameter explosion. However, a novel parametrization that leverages spectral attributes for neural hypergraphs has been recently proposed, that enables to recycle parameters via a weight sharing scheme and consequently yields a significant reduction of the associated computational cost. Preliminary tests carried out on spectral higher-order architectures pointed to meaningful improvements in both performance and interpretability. Building on these results, we advance the benchmarking efforts by evaluating the spectral higher order framework on N-bit parity tasks, a well-established testbed known to be particularly challenging. As we will convincingly argue, Spectral Higher-Order Neural Networks (SHONNs) possess a versatile and highly tunable hypothesis space.
Michael Rizvi-Martel, Satwik Bhattamishra, Guillaume Rabusseau +1cs.LG cs.CL
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.
Adaptive optimizers mix several mechanisms: a metric or preconditioner maps gradients to descent directions, while estimation, memory, step-size control, constraints, stochasticity, target modification, and discretization determine which directions are available and how they are used. We introduce geometric--nongeometric optimizer calculus, a modular language for auditing reachable gradient methods under explicit oracle, budget, state, and rule constraints. The geometric module is a positive cometric family that maps covectors to parameter-space directions; the nongeometric modules are information, memory, control, operator, noise, target, and discretization mechanisms. The main formal result is a direction-expressivity theorem: away from critical points, full positive-definite geometry expresses exactly the strict descent directions. We then define restricted direction residuals for admissible metric families, prove exact expressivity conditions for diagonal and block geometries, and separate this direction-level diagnostic from condition-number geometric complexity. The resulting design problem is a Pareto optimization over module budgets, not a single universal optimizer ordering. We also lift pointwise residuals to a trajectory-level residual complexity that couples direction mismatch with the variation of the explaining geometry. We include diagnostic prototypes only as evidence for the language: a high-information full-metric probe solves deterministic quadratic benchmarks to numerical precision, while a practical Muon-style PyTorch candidate gives small-scale evidence that matrix-operator updates can be audited by the calculus. The paper is a theory and benchmark-language manuscript; it does not claim large-scale optimizer state-of-the-art performance.
Nikola Zubić, Qian Li, Yuyi Wang +1cs.FL cs.CC cs.CL
Modern sequence models are increasingly deployed as agents that interleave token generation with calls to external tools. We give an exact, architecture-level account of when such tool access increases computational expressivity. We model any fixed finite-precision recurrent sequence model, including finite-precision state-space models (SSMs) with $B$ bits of internal state, as a deterministic finite-state controller interacting with an oracle through a finite command/observation interface. Our results form a sharp dichotomy. First, tools that are themselves finite-state add essentially nothing: a product-state simulation internalizes any finite-state bounded-interface oracle with finite memory set $M$ at a cost of only $\log_2 |M| + O(1)$ additional bits, so the augmented system remains finite-state. Second, a single minimal infinite-state tool, namely a tape supporting only local $\mathtt{read}$, $\mathtt{write}$, and $\mathtt{move}$ commands, makes the system Turing complete: for every single-tape Turing machine with state set $Q$ and tape alphabet $Γ$, a controller with $O(\log |Q| + \log |Γ|)$ bits of internal memory simulates it, and we exhibit a concrete exponential separation: $\mathrm{EQ}_n$ requires $2^n$ states without tools but a single constant-size controller with the tape tool. Third, we show that this construction is realized exactly by a natural one-layer finite-precision selective affine SSM controller with binary one-hot hidden states, $\{0,1\}$ transition matrices, and zero biases. Selectivity is essential to the construction. In the supplementary material, we make all constants explicit, prove a logarithmic oracle-assisted universal simulation, where $O(\log B)$ recurrent bits suffice to simulate any $B$-state Turing machine, and prove a matching impossibility result.
We study layered models, including feedforward networks, ResNets, and transformers, by limiting each layer to a width of $d = 3$, i.e., $\mathbb{R}^3$ as representation space. This allows us to track how a neural network changes low-dimensional topological invariants through its layers. Just about any topological structure may be simplified or even trivialized by simply increasing dimension; e.g., any knot is equivalent to an unknot in $\mathbb{R}^4$. By restricting to $\mathbb{R}^3$, we not only isolate the effects of activation and depth from that of width, we work in a space that lends itself to easy visualization. We focus on linking number here, deferring other invariants like link groups, Milnor's $\barμ$-invariants, knot types, ambient cobordisms, to a sequel. We provide full proofs and empirical experiments to justify the following insights: When measured by their power to effect changes in linking numbers, the layer-skipping feature in ResNets is as powerful as the attention mechanism in transformers; both ResNets and transformers are strictly more powerful than feedforward neural networks with monotonic activations, which are in turn more powerful than invertible and flow-based models; but replacing monotonic activation with a nonmonotonic one elevates a feedforward network into the same expressivity class as ResNets and transformers. These results suggest that low-dimensional topology can be a useful tool to guide designs of AI architectures. We also generalize our results from $d = 3$ to arbitrary $d > 3$.
Anastasis Kratsios, Simone Brugiapaglia, Bum Jun Kim +2cs.LG cs.AI cs.LO math.NA
Feedforward neural network (NN) expressivity is typically studied by emulating optimal basis-expansion schemes. While powerful, this perspective is incomplete: it primarily captures complexity through regularity, and therefore does not distinguish intuitively simple and complicated objects with comparable regularity, such as the square-root function and a typical Brownian path. The guiding message is that neural networks should be viewed not only as flexible basis functions, but also as models of computation. If a function is computable by a real-valued circuit over a prescribed elementary gate language, then it can be computed to comparable accuracy by an NN with explicit depth, width, and non-zero-parameter bounds controlled by the depth, width, gate count, and gate structure. Thus, neural-network complexity is not governed by regularity alone, but also by algorithmic complexity. We then show that any definable NN model satisfying a natural parallelization condition, allowing possibly multivariate non-linearities such as attention or layer normalization, is a universal approximator if and only if it contains a non-affine nonlinearity. The scope of our theory is illustrated by deducing universal approximation guarantees for continuous functions, minimax-optimal approximation guarantees for Besov classes, logarithmic-error complexity for holomorphic functions, and by showing that NNs can emulate numerical algorithms such as Newton-Raphson root finding and power iteration without architecture-specific arguments. Its precision is illustrated by shortest-path computation on $k$-vertex graphs: compiling the tropical dynamic-programming circuit yields NNs with O(log(1/ε)) non-zero parameters, exponentially improving in 1/ε over the generic $O(ε^{-c k^2})$ Lipschitz-approximation scale, for a constant c>0.
This paper studies the expressive power of ASPIC$^+$ argumentation frameworks with uncertain preference profiles by comparing them with several abstract formalisms with uncertain defeats. Most of our results are negative (and some of them are theoretically unexpected). We also conjecture a positive, non-trivial threshold for the expressivity of uncertain preferences, and prove some essential preliminary steps toward the confirmation of this conjecture.
Piecewise-affine neural networks (e.g., with ReLU or LeakyReLU activations) implement continuous piecewise-affine maps, and the number of affine regions provides a natural proxy for expressive capacity. However, the gap between theoretical region capacity and the affine regions realized after training remains insufficiently understood. We study this gap from two complementary perspectives. First, we give a rigorous, architecture-dependent theorem for affine line-segment probes: for multilayer perceptrons with piecewise-affine activations, the number of affine pieces realized along an affine line-segment probe is upper bounded by an explicit product of layer-wise width terms (and activation breakpoint factors). This yields a neuron-threshold lower bound for representing target functions with prescribed one-dimensional piece complexity, formalizing the minimal region budget required for complex signals. Second, we exactly enumerate affine regions realized within bounded 2D and higher-dimensional domains under controlled task complexity. Under fixed architectures and training protocols, increasing input--label complexity yields trained solutions with markedly fewer realized regions in the evaluation domain, even though worst-case architectural capacity is unchanged; we call this reduced region usage expressivity saturation. Moreover, in the most challenging regimes, 2D visualizations show that region-usage collapse often coincides with degraded decision boundaries. Finally, we visualize the training dynamics of affine-region partitions and decision boundaries, revealing a consistent refinement process during optimization.
Przemysław Andrzej Wałęga, Bernardo Cuenca Graucs.AI
Bridges between graph neural networks (GNNs) and logical formalisms have been established by fixing architectural choices, such as the types of aggregation, combination, and activation functions. These choices define restricted classes of GNNs for which tight correspondences with logical formalisms can be obtained, by showing that logical formulae can be translated into equivalent GNNs and, conversely, that GNNs can be translated into equivalent formulae. In this paper we take a semantic perspective by establishing the logical expressiveness of classes of GNN classifiers that are preserved under structural properties: embeddings (extensions), injective homomorphisms, and homomorphisms. We show that, for each such property, there exists a fragment of graded modal logic characterising the class of GNNs. In particular, preservation under embeddings, injective homomorphisms, and homomorphisms corresponds to existential graded modal logic, its existential-positive fragment, and existential-positive modal logic, respectively. These results characterise the expressiveness of broad classes of GNNs independently of specific architectural choices, but we also show that each of these classes admits a GNN architecture of the same expressiveness. Technically, our approach uses a new well-quasi-order result for trees of bounded height, yielding finite representations of unravelling-invariant classes.
Deep neural networks are widely believed to derive their expressive power from their ability to form \textbf{hierarchical representations}, capturing progressively more abstract and compositional features across layers. In language modeling, \textbf{transformers} have emerged as the dominant architecture, with early layers capturing local syntactic patterns and later layers encoding more complex clause-level dependencies. While this intuition has shaped model design, there remains a lack of rigorous theoretical work demonstrating \textbf{how} deep transformers represent such hierarchical structures. In this work, we analyze the expressiveness of deep transformer models through the formal lens of bounded-depth, non-recursive context-free grammars. For this class of grammars, we explicitly construct transformers with positional attention whose depth grows linearly with grammar depth, while the neuron count scales with the number of derivation-tree shapes and quadratically with the number of production rules. Our theoretical results support the linear representation hypothesis by demonstrating that these architectures possess the structural capacity to encode abstract grammatical states into low-dimensional, linearly separable subspaces within the residual stream.
Recent advances in Machine Learning have transformed numerous industrial sectors, yet classical paradigms face fundamental limitations: rapidly growing data volumes, rising computational costs, significant energy consumption, and the physical scaling limits of conventional hardware architectures. Quantum computing has emerged as a promising computational paradigm to address these challenges, giving rise to the field of Quantum Machine Learning (QML). In this thesis, the theoretical foundations of QML are investigated, with a focus on near-term and future practical applications. Three central challenges are addressed: the trainability of variational quantum circuits, their expressivity, and their resistance to efficient classical simulation. The trainability of Hamming-weight preserving variational quantum circuits is first studied, and theoretical guarantees are established that resolve an open conjecture on the absence of barren plateaus for this circuit family. Subspace-preserving QML algorithms are then introduced, including photonic circuits and quantum convolutional neural networks, and are designed to mimic classical ML subroutines while offering polynomial quantum advantage. Finally, variational quantum circuits are analyzed as quantum Fourier models, and a framework is derived to jointly characterize expressivity and trainability, from which conditions are obtained under which quantum models provably separate from their classical counterparts. These contributions are intended to advance the theoretical roadmap for harnessing near-term and future quantum technologies in real-world applications.
Standard dot-product self-attention computes, in a single layer, only pairwise (order-2) interactions between tokens; representing a generic order-$k$ interaction is known to require either super-quadratic resources in one layer or composition across depth. We introduce \textbf{Quantum Higher-Order Attention (QHA)}, a shallow, hardware-realizable quantum attention head that, via data re-uploading and an all-to-all non-Clifford entangler, synthesizes order-$k$ token interactions inside the circuit and exposes them through a local single-qubit read-out. We prove (i) an expressivity separation: any single standard self-attention layer with embedding dimension $m$, $H$ heads and $p$-bit precision satisfying $mHp=o(N/\log\log N)$ cannot represent the order-$k$ correlation family that one QHA head represents with circuit depth $O(\log k)$ ($O(k)$ two-qubit gates); and (ii) a trainability guarantee for its local-design instantiation: with a local read-out and $O(\log n)$ depth the gradient variance is $Ω(1/\mathrm{poly}(n))$ (no barren plateau), which we confirm empirically -- while being explicit that the more expressive all-to-all instantiation we benchmark is trained empirically and shows exponentially decaying gradients. Empirically, at a $6.5\times$ smaller parameter budget, QHA generalizes hidden-subset parity of every order $k\le6$ from disjoint inputs, whereas the larger classical attention head collapses past order~2; consistent with theory, the size of the advantage tracks the target's Fourier degree - largest for parity and shrinking when low-order structure is present. As an application, QHA serves as a compact high-order interaction detector across three domains - genetic epistasis, learning-parity-with-noise, and graph triangle detection - reaching the noise ceiling at the smallest parameter budget where field-standard linear methods fail.
This work studies neural architectures for classifying symmetric positive-definite matrices, focusing on congruence-like layers, in which the input matrix is multiplied on the left and right by a (possibly rectangular) weight matrix $W$ and its transpose. Such layers lie at the core of the celebrated SPDNet and have also been employed independently for dimensionality reduction on positive-definite data. We show that the (semi)-orthogonality constraint commonly imposed on $W$ limits the expressivity of these layers: for certain activation functions, the resulting architecture collapses to a one-hidden-layer equivalent. This lack of expressivity follows from a loss of spectral diversity in congruence-like layers for semi-orthogonal $W$ and is a direct consequence of Poincaré's separation theorem. We then examine the choice of the final classifier, comparing several Riemannian classifiers and discussing their compatibility with the feature maps produced by congruence-like layers.
Franz Nowak, Ryan Cotterell, Reda Boumasmoudcs.FL cs.CL cs.LG
What formal languages can a recurrent neural language model recognize? Formal results in the literature conflict: some authors report Turing-completeness, while others show equivalence to regular languages. The reason for this discrepancy is that the underlying arithmetic model differs. The paper develops a unified algebraic account of the expressivity of recurrent neural networks, starting with a formal account of various arithmetic models. This account reduces expressivity to an algebraic question, e.g., whether a network's syntactic monoid divides a certain wreath product. As a case study, the paper revisits diagonal state-space models: the same architecture cannot implement an even-modulus counter once floating-point recurrences are enforced, yet realizes every even-modulus counter under unsigned-integer quantization.
Positional encoding (PE) is widely viewed as necessary for transformers to process ordered sequences: without them, the next-token map appears permutation-invariant in its context tokens. This intuition underlies all prior universality results, which rely on positional information to prove that transformers with chain-of-thought can perform arbitrary computation, i.e., they are Turing complete. We revisit this belief in the regime most relevant to long-form reasoning, where generation proceeds through a finite sliding context window. Our opening perception is that the window mechanism itself (mildly) breaks the permutation symmetry. To distill and precisely capture the degree of this added expressiveness, we introduce an abstract autoregressive model, the HIST model, in which each update depends only on constant-size internal state and the token-count histogram within the current window. We prove that this HIST model is Turing complete by showing that the evolution of the window can reveal the token that has just left the window, which suffices to simulate Turing-complete Post machines. We then construct a sliding-window transformer over a constant-size token alphabet, without PE, and show that it can simulate the HIST model. Our result demonstrates that positional encodings are not indispensable for transformers to perform universal computation: The window sliding itself already breaks permutation symmetry and captures sufficient positional information.