Symmetry Breaking

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Latest papers 21

Oct 8, 2026cs.LG

Bi-FORK: Generative Modeling of High-Dimensional Bifurcating Systems

Bifurcations are ubiquitous in physical systems, from structural buckling to fluid and climate dynamics, yet they remain largely unexplored in deep learning. At a symmetry-breaking bifurcation, a single input admits multiple equally valid solutions, violating the one-to-one assumption underlying most learned physical surrogates. We introduce Bi-FORK, a generative framework for learning these one-to-many solution maps in high-dimensional systems. Bi-FORK generates complete trajectories through latent flow matching, preserving space and time coherence, and uses repulsion-guided sampling to recover distinct solution branches in a single amortized pass. We evaluate Bi-FORK on buckling beams, mechanical metamaterials, and Allen-Cahn phase separation, spanning continuous, discrete, and field-valued bifurcations with discretizations up to 260,000 points. Bi-FORK recovers the multimodal solution structure while scaling several orders of magnitude beyond prior approaches, opening generative modeling to high-dimensional bifurcating physical systems.

Anna Zimmel, Fleur Hendriks, Markus Holzleitner +4

ELLIS Unit, LIT AI Lab, Institute for Machine Learning, JKU Linz · Department of Mechanical Engineering, Eindhoven University of Technology · DIFFER – Dutch Institute for Fundamental Energy Research +2

Generative Modeling Dynamical Systems Conditional Generative Modeling Symmetry Breaking

Oct 7, 2026cs.LG

Eigenvalues of the Hessian in Deep Learning: The Origin of Symmetry and Its Breaking

Hessian spectra at trained models in deep learning exhibit a persistent pattern: eigenvalues organize into distinct clusters, including a large bulk near zero and a few isolated outliers. This paper shows that a natural account of these spectral phenomena emerges when the original setting is understood as a departure from a nearby, otherwise hidden, highly symmetric reference. Modifications, including changes to the architecture, data distribution, or parameter metric, expose a nearby reference configuration whose Hessian exhibits rich invariances-ones not accounted for by weight symmetries. There, symmetry enables a precise description of the spectra, forcing high-dimensional kernels and eigenvalues of large multiplicity. Returning to the original configuration breaks the Hessian symmetry and thereby produces the observed hierarchy of clusters and outliers. The framework is developed in some generality, with a detailed analysis of three-layer ReLU networks and applications to convolutional, graph, and transformer models, as well as to the NTK. The same mechanism is further shown to yield analogous spectral structures in layerwise Hessians and the Gauss-Newton matrix.

Yossi Arjevani

Yossi Arjevani

Symmetry Breaking Deep Learning Optimization

Aug 13, 2026cs.LG

Symmetry-Breaking De Novo Crystal Generation via Markovian Jump Diffusion

Generating crystals has recently attracted significant interest due to their broad applications in materials science. However, existing generative models struggle to produce complete crystallographic specifications, limiting their ability to capture global symmetry and structural dependencies. In particular, current state-of-the-art approaches generate crystals only up to site symmetries and rely on sampling space groups from empirical distributions during generation. Inspired by \emph{spontaneous symmetry breaking} in physics, where crystals break symmetries under external conditions, we propose a novel diffusion-based framework that generates full structure specifications by reversing from the lowest-symmetry priors. Our method leverages a Markovian jump-diffusion process to model these symmetry-breaking dynamics, enabling it to traverse different space groups in a physically motivated manner. Our model, dubbed \emph{Symmetry-breaking Crystal Diffusion} (SbCD), introduces a principled approach to explicitly incorporate inter-space-group transitions into the generative process. In de novo generation experiments on MP20 and MPTS-52, SbCD outperforms its symmetry-preserving counterpart by a substantial margin, offering a promising perspective for generative modeling of crystalline materials.

Van Khoa Nguyen, Alexandros Kalousis

HES-SO Geneva · University of Geneva

Symmetry Breaking Materials Science Crystal Structure Generation Diffusion Models

Jul 30, 2026cs.AI

LeanCSP: A Framework for Certifying Constraint Reformulation and Solving in Lean

Constraint programming is a core technology for solving complex combinatorial problems in scheduling, planning, configuration, and verification. Trusting its results therefore demands guarantees at two levels: that reformulations applied beforehand are semantics-preserving, and that solvers produce correct answers. In this work, we introduce a framework that addresses both verification levels in the Lean theorem prover: it can be used to prove formulation-level properties, such as equivalence, equisatisfiability, and the correctness of symmetry-breaking constraints, parametrically for entire problem families; and to check solver-produced certificates for individual instances via translation backends to external formats such as MiniZinc, SMT-LIB, and OPB. Combining both levels yields an end-to-end workflow that establishes the satisfiability or unsatisfiability of a constraint problem without trusting the external solver. Experimental results show that our framework's verified symmetry breaking also pays off in practice: a single parametric proof per problem family, reused across all instance sizes, reduces solver search effort by a factor of up to 2x10^7, while the entire in-Lean certification stays affordable, taking at most a few minutes for our largest instances.

Pablo Manrique, Stefan Szeider

Algorithms and Complexity Group TU Wien, Vienna, Austria

Symmetry Breaking Formal Verification Constraint Programming

Jul 28, 2026cs.LG

Automorphism-Induced Non-Canonicity in Top-k Explanations of Graph Neural Networks

A gradient-based GNN explainer given a molecule with two chemically equivalent nitro groups assigns them attribution scores that are equal to the last bit. It cannot do otherwise: message passing is exactly permutation equivariant, so any automorphism of the input leaves every attribution invariant. Yet the standard report, the top-k edges, names one of the two, and which one is settled by the order of an array. We show this is a structural obstruction rather than an implementation slip. When no minimal valid explanation is fixed by the input's automorphism group, no rule can be single-valued, minimal and symmetry-respecting at once. For the exact-k reports used in practice we give a parameter-free criterion, mechanised in Lean 4 with no axiom dependencies, that decides from the graph alone whether every score-optimal report of that size must split an orbit. Across 21298 instance-budget decisions the criterion agrees with a mechanical model-equivalence check without exception, and no severing case we found admitted a neutral alternative. The obstruction is common. Nontrivial automorphisms occur in 93.4% of Mutagenicity, the dataset the seminal explainability papers use, so the measure-zero dismissal of symmetric inputs, sound on the continuous domains it was made for, collapses here. At the sparsity budget those papers report, 24.0% of molecules with two interchangeable nitro groups (6 of 25) surface exactly one of them, every one arbitrary under mechanical verification. A model's blindness also manufactures symmetry: every MUTAG molecule contains atoms chemistry separates and the network provably cannot, and a matched control shows the resolution is set by what the model reads rather than how it is parameterised. Reporting orbits removes the arbitrariness at 0.11 ms and 0.43 extra edges per graph.

Xin Xu, Siru Tao, Kaizhen Tan

Carnegie Mellon University

Gradient-Based Attribution Symmetry Breaking GNN Explainability

Jul 25, 2026stat.ML

Beyond ICA: Identifiability by Symmetry Breaking

We prove the identifiability of deep generative models (DGMs) with piecewise-affine (PWA) decoders and Gaussian mixture model (GMM) priors, in a purely unsupervised setting. We introduce three algebraic contrast principles for symmetry breaking: domain contrast, which trivializes the mixture symmetry group; mechanism contrast, which ensures every decoder branch is witnessed by a unique boundary; and interaction contrast, which forbids parameter conspiracies between latent components and decoder branches. Together they exploit the interplay between the discrete combinatorics of the PWA map and the continuous symmetry structure of the latent GMM. Continuity is replaced by algebraic symmetry conditions; injectivity is decoupled from structural identification and required only for pointwise inversion. Our results form a hierarchy: from law identifiability (LID; latent distribution up to a global affine map) through map identifiability (MID; decoder up to the same map) to posterior and pointwise identifiability. The ICA-form ambiguity emerges under conditions on diagonal component covariances. Assumptions are only on the data-generating process, not on learning methods, except for the interaction contrast. To our knowledge this is the first to make algebraic symmetry-breaking the engine of nonlinear identifiability, the first to admit discontinuous decoders, and the first to handle fully non-injective decoders, where every observation admits multiple latent codes.

Pengzhou Wu

SANKEN, University of Osaka

Latent Variable Models Representation Identifiability Parameter Identifiability Symmetry Breaking

Jul 8, 2026cs.LG

Explaining Near-Zero Hessian Eigenvalues Through Approximate Symmetries in Neural Networks

The Hessian of the training loss governs the local geometry of the loss landscape, yet despite existing explanations for its largest eigenvalues, the origin of the vast multitude of vanishingly small eigenvalues remains elusive. We argue that the bulk consists of the weakly lifted pseudo-Goldstone modes of the continuous symmetries of the network parametrization. In deep linear networks these symmetries are exact: they generate flat directions and hence exact zero modes, whose eigenvectors we construct explicitly. Introducing a ReLU nonlinearity as a perturbation, we show that it breaks these symmetries weakly and explicitly. Resolving the spectrum at the level of eigenvectors, we find that the high-curvature directions are orthogonal to the symmetry subspace, while the bulk lies almost entirely within it. We demonstrate the mechanism in a two-layer ReLU student--teacher model and in a network trained on CIFAR-10. A convolutional example demonstrates that the same diagnostic extends beyond fully connected layers. Together, these results link the Hessian bulk to weakly broken symmetries and clarify the origin of near-zero modes.

Marcel Kühn, Bernd Rosenow

Institut für Theoretische Physik, Universität Leipzig, 04103 Leipzig, Germany · ScaDS.AI Dresden/Leipzig, Universität Leipzig, 04105 Leipzig, Germany

ReLU Neural Networks Symmetry Breaking

Jun 24, 2026cs.AI

Geometry-Aware MCTS for Extremal Problems in Combinatorial Geometry

We study certain extremal problems in combinatorial geometry that ask about configurations of points in an

n \times n

grid that satisfy strict, global geometric constraints. Classical exact solvers suffer from combinatorial explosion for these types of problems, and standard reinforcement learning and transformer-based models struggle with the sparse reward "validity cliff" and quadratic token-consumption limits. To overcome these bottlenecks, we propose a Geometry-Aware Monte Carlo Tree Search (MCTS) framework. Our approach strictly enforces geometric constraints through incremental updates to the feasible action space. For constraints about collections of collinear points, like those that occur in the classic No-Three-in-Line problem (Max-N3IL), this mechanism reduces the constraint checking complexity from

O(n^3)

to

O(n^2)

. To improve search efficiency, we exploit geometric symmetries in two ways: canonical pruning during node expansion to reduce the branching factor, and symmetric batch transitions to accelerate the discovery of promising configurations. We perform extensive experiments and establish new best-known computational results on five out of six of the problems that we considered. Notably, for Max-N3IL we find configurations of size roughly

1.8 n

for grids of size

82 \le n \le 119

. For the Smallest Complete Set problem, we find configurations of size roughly

0.95 n

, providing new upper bounds within the tested grids. This work establishes Geometry-Aware MCTS as a highly adaptable framework for discovering novel configurations in combinatorial geometry.

Luoning Zhang, Xu Zhuang, Tianhao Wang +1

Department of Mathematics, University of California, Irvine

Symmetry Breaking Combinatorial Optimization Monte Carlo Tree Search

Jun 20, 2026cs.LG

Gated MLPs as Symmetry-Broken Rank-1 Bilinear Attention

We show that the conventional gated MLP can be viewed as a rank-1 approximation to a bilinear attention mechanism with two distinct factors corresponding to the query and the key. We further show that moving the nonlinearity onto one factor breaks the exchange symmetry between the two factors and, for non-homogeneous activations, the inverse-scaling symmetry as well. This perspective may help explain why gated MLPs are effective in practice and inform the design of future architectures.

Nathan Breslow

Multilayer Perceptrons Symmetry Breaking Attention Mechanisms

Jun 2, 2026cs.LG

Analyzing Stream Collapse in Hyper-Connections: From Diagnosis to Mitigation

Hyper-Connections (HC) replace the single Transformer residual stream with multiple streams, introducing a permutation symmetry over stream indices. We study how this symmetry is resolved in practice: whether streams specialize in a balanced way or exhibit dominant-stream usage. Using fine-grained diagnostics for HC-based language models, we trace how multi-stream representations are actually used. We find that after an early seeding stage, residual mixing often remains close to identity, limiting a core HC mechanism for exchanging information between streams. Moreover, both signal and interpretable features concentrate in a dominant stream, and the nominally multi-stream residual connection can underutilize its capacity, behaving closer to a single-stream residual pathway. Finally, we show that breaking symmetry at stream initialization reduces dominant behavior and improves performance across \textit{m}HC variants. Our code is publicly available.

Ekaterina Alimaskina, Gleb Molodtsov, Aleksandr Beznosikov

1MIRAI, Moscow, Russia · 2BRAIn Lab, Moscow, Russia · 3Yandex Research, Moscow, Russia +1

Transformer Hyper-Connections Symmetry Breaking

May 29, 2026cs.LG

Gradient Descent with Large Step Size Restores Symmetry in Deep Linear Networks with Multi-Pathway

Recent analyses of multi-pathway Deep Linear Networks use Gradient Flow to predict a "winner-takes-all" specialization in which path symmetry breaks and each feature concentrates in a single pathway. In this work, we show that discrete Gradient Descent (GD) with a large step size tells a different story. We prove that single-path solutions are sharp minima, whereas distributing signals across pathways reduces sharpness by a factor that decreases with both the number of pathways and depth. Consequently, while early training reproduces the depth-driven symmetry breaking predicted by GF, oscillations at the Edge of Stability subsequently override this tendency and drive the network into a re-balancing phase, where signals redistribute across pathways. Together, these results clarify how depth shapes pathway competition and explain why large-step GD favors shared representations rather than persistent single-pathway dominance.

Hee-Sung Kim, Sungyoon Lee

Department of Computer Science, Hanyang University, Seoul, Korea.

Edge of Stability Symmetry Breaking Deep Linear Networks Neural Network Training Dynamics Gradient Descent Dynamics

May 24, 2026cs.AI

Solving Combinatorial Counting Problems with Weighted First-Order Model Counting

Combinatorial counting problems pervade artificial intelligence, statistics, and discrete mathematics. Whether the task is enumerating subsets, multisets, permutations, partitions, or compositions under structural and arithmetic constraints, solving it remains a stubbornly manual exercise. Closed-form derivations are powerful but brittle, while naive encodings to propositional model counting or constraint satisfaction destroy the exchangeability that makes counting tractable in the first place. We present Cofola (COmbinatorial counting LAnguage with First-Order logic), a typed declarative language whose primitives are the combinatorial objects that recur in everyday counting questions, including sets, bags, tuples, sequences, circles, partitions, and compositions, together with natural relational and arithmetic constraints over them. A denotational semantics maps every Cofola program to a well-defined combinatorial counting problem, and a three-phase compilation pipeline (preprocessing, decomposition, and symmetry-preserving encoding) reduces this problem to a weighted first-order model counting (WFOMC) instance augmented with coefficient-extraction constraints. To stay inside known domain-liftable fragments whenever possible, the encoding groups indistinguishable entities, breaks the symmetry of unordered groupings lexicographically, and encodes sequences and circles via order axioms. On a suite of representative combinatorial counting problems, ranging from textbook math problems to multi-object scenarios that the closest prior framework cannot express, Cofola produces concise specifications and a uniform solving pipeline that is practical end-to-end.

Yuanhong Wang, Juhua Pu, Yuxu Zhou +2

School of Artificial Intelligence, Jilin University, Changchun, China · State Key Laboratory of Complex & Critical Software Environment, Beihang University, China · National Research Center for Educational Materials, China +3

Symmetry Breaking

May 22, 2026cs.LG

Feature Lottery? A Bifurcation Theory of Concept Emergence

Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing (

β_c

) that, compared to the network's current state (

β

), yields a dynamic ratio

β(t)/β_c(t)

: a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence,

β/β_c

provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.

Fuming Yang

MIT

Dynamical Systems Representation Learning Symmetry Breaking Phase Transitions Neural Network Training Dynamics

May 14, 2026cs.AI

Learning Developmental Scaffoldings to Guide Self-Organisation

From subcellular structures to entire organisms, many natural systems generate complex organisation through self-organisation: local interactions that collectively give rise to global structure without any blueprint of the outcome. Yet a significant portion of the information driving such processes is not produced by self-organisation itself, instead, it is often offloaded to initial conditions of the system. Biological development is a prime example, where maternal pre-patterns encode positional and symmetry-breaking information that scaffolds the self-organising process. From maternal morphogen gradients in early embryogenesis to tissue-level morphogenetic pre-patterns guiding organ formation, this transfer of information to initial conditions, analogous to a memory-compute trade-off in computational systems, is a fundamental part of developmental processes. In this work, we study this offloading phenomenon by introducing a model that jointly learns both the self-organisation rules and the pre-patterns, allowing their interplay to be varied and measured under controlled conditions: a Neural Cellular Automaton (NCA) paired with a learned coordinate-based pattern generator (SIREN), both trained simultaneously to generate a set of patterns. We provide information-theoretic analyses of how information is distributed between pre-patterns and the self-organising process, and show that jointly learning both components yields improvements in robustness, encoding capacity, and symmetry breaking over purely self-organising alternatives. Our analysis further suggests that effective pre-patterns do not simply approximate their targets; rather, they bias the developmental dynamics in ways that facilitate convergence, pointing to a non-trivial relationship between the structure of initial conditions and the dynamics of self-organisation.

Milton L. Montero, Elias Najarro, Jakob Schauser +1

IT University of Copenhagen, Denmark · University of Copenhagen, Denmark · Sakana AI, Japan

Neural Cellular Automata Symmetry Breaking

May 14, 2026cs.LG

Spontaneous symmetry breaking and Goldstone modes for deep information propagation

In physical systems, whenever a continuous symmetry is spontaneously broken, the system possesses excitations called Goldstone modes, which allow coherent information propagation over long distances and times. In this work, we study deep neural networks whose internal layers are equivariant under a continuous symmetry and may therefore support analogous Goldstone-like degrees of freedom. We demonstrate, both analytically and empirically, that these degrees of freedom enable coherent signal propagation across depth and recurrent iterations, providing a mechanism for stable information flow without relying on architectural stabilizers such as residual connections or normalization. In feedforward networks, this results in improved trainability and representational diversity across layers. In recurrent settings, we demonstrate the same mechanism is valuable for long-term memory by propagating information over recurrent iterations, thereby improving performance of RNNs and GRUs on long-sequence modeling tasks.

Nabil Iqbal, T. Anderson Keller, Yue Song +2

Dept. of Mathematical Sciences, Durham University · Kempner Institute, Harvard University · College of AI, Tsinghua University +2

Symmetry Breaking Equivariant Neural Networks Recurrent Neural Networks

May 8, 2026cs.NE

Broken-symmetry shape discrimination on a driven Duffing ring

Distributed computational substrates rely on two elementary operations: bundling, the act of populating a shared physical medium with independently retrievable components, and binding, the act of composing components into outputs whose identity depends on their relations. We study these two primitives on the simplest closed substrate carrying a continuous symmetry, a cycle graph of N nodes, in two parameter regimes of a single master equation of motion. The linear regime sorts a temporal input across the substrate's U(1)-organised eigenmodes, providing a feature representation that matches a windowed-FFT baseline at high signal-to-noise ratio and modestly outperforms it for transient signals at low SNR. The Duffing regime activates a cubic mode-mixing operation constrained by the substrate's symmetry into a sparse selection rule on integer wavenumbers, generating shape-dependent harmonic content that the linear regime cannot produce. We identify a single-number observable,

φ_0

, that summarises the bound representation's response to input shape, and we analyse its symmetry structure: a

π

-periodicity in the shape parameter is exact, while a time-reversal symmetry that would render

φ_0

degenerate is broken by the substrate's dissipation. The asymmetric status of these two symmetries is what licenses

φ_0

as a meaningful single-number observable; its trajectory across the quotient domain encodes the joint response of binding and dissipation to the input shape. Numerical experiments confirm that

φ_0

retains its information content under additive band-limited noise, with seed-averaged means staying clearly above the symmetric-attractor value down to 0 dB input SNR. The framework is developed on synthetic signals only; extensions to richer substrates, more elaborate drives, and real biological signals are open questions for the work that follows.

Kaspar Anton Schindler

Sleep-Wake-Epilepsy-Center, Department of Neurology, Inselspital, Bern University Hospital, University of Bern, Bern, Switzerland

Dynamical Systems Symmetry Breaking

May 6, 2026cs.LG

Why Geometric Continuity Emerges in Deep Neural Networks: Residual Connections and Rotational Symmetry Breaking

Weight matrices in deep networks exhibit geometric continuity -- principal singular vectors of adjacent layers point in similar directions. While this property has been widely observed, its origin remains unexplained. Through experiments on toy MLPs and small transformers, we identify two mechanisms: residual connections create cross-layer gradient coherence that aligns weight updates across layers, and symmetry-breaking nonlinearities constrain all layers to a shared coordinate frame, preventing the rotation drift that would otherwise destabilize weight structure. Crucially, a nonlinear but rotation-preserving activation fails to retain continuity, isolating symmetry breaking -- not nonlinearity itself -- as the active ingredient. Activation and normalization play distinct roles: activation concentrates continuity in the leading singular direction, while normalization distributes it across multiple directions. In transformers, continuity is projection-specific: Q, K, Gate, and Up (which read from the residual stream) develop input-space (

\mathbf{v}_1

) continuity; O and Down (which write to it) develop output-space (

\mathbf{u}_1

) continuity; V alone, lacking an adjacent nonlinearity, develops only low continuity.

Kyungwon Jeong, Won-Gi Paeng, Honggyo Suh

Hyntel

Symmetry Breaking Geometric Representation Learning Neural Network Training Dynamics

May 6, 2026cs.LG

Concurrence of Symmetry Breaking and Nonlocality Phase Transitions in Diffusion Models

Diffusion models undergo a phase transition in a critical time window during generation dynamics, with two complementary diagnoses of criticality. The symmetry breaking picture views the critical window as when trajectories bifurcate into different semantic minima of the energy landscape, whereas the nonlocality picture views the critical window as when local denoising fails. We study whether two notions of such phase transitions are concurrent in modern diffusion transformers. By evaluating the dynamics and outcomes of the generation trajectory, we observe a near-simultaneous occurrence of the non-locality and symmetry breaking critical times. Our work is the first to unify the two notions of phase transitions in practice: it provides a concrete diagnostic for when and why diffusion models rely on conditioning and global denoising, enabling principled evaluation of model efficiency and guiding the design of architectures and sampling schemes that avoid unnecessary computation.

Yifan F. Zhang, Fangjun Hu, Guangkuo Liu +2

Department of Electrical and Computer Engineering Princeton University Princeton, NJ 08544, USA · QuEra Computing Inc. 1284 Soldiers Field Road, Boston, MA 02135, USA · JILA and Department of Physics University of Colorado Boulder Boulder, CO 80309, USA +1

Diffusion Transformer Symmetry Breaking Phase Transitions Diffusion Models

Apr 26, 2026cs.LG

Rank, Head-Channel Non-Identifiability, and Symmetry Breaking: A Precise Analysis of Representational Collapse in Transformers

A widely cited result by Dong et al. (2021) showed that Transformers built from self-attention alone, without skip connections or feed-forward layers, suffer from rapid rank collapse: all token representations converge to a single direction. The proposed remedy was the MLP. We show that this picture, while correct in the regime studied by Dong, is incomplete in ways that matter for architectural understanding. Three results are established. First, layer normalisation is precisely affine-rank-neutral: it preserves the affine rank of the token representation set exactly. The widespread claim that LN "plays no role" is imprecise; the correct statement is sharper. Second, residual connections generically obstruct rank collapse in real Transformers such as BERT-base, in a measure-theoretic sense, without contribution from the MLP. The MLP's irreplaceable function is different: generating feature directions outside the linear span of the original token embeddings, which no stack of attention layers can produce. Third, a phenomenon distinct from rank collapse is identified: head-channel non-identifiability. After multi-head attention sums per-head outputs through the output projection, individual contributions cannot be canonically attributed to a specific head; n(H-1)d_k degrees of freedom per layer remain ambiguous when recovering a single head from the mixed signal. The MLP cannot remedy this because it acts on the post-summation signal. A constructive partial remedy is proposed: a position-gated output projection (PG-OP) at parameter overhead below 1.6% of the standard output projection. The four collapse phenomena identified in the literature -- rank collapse in depth, in width, head-channel non-identifiability, and entropy collapse -- are unified under a symmetry-breaking framework, each corresponding to a distinct symmetry of the Transformer's forward pass.

Giansalvo Cirrincione

aLaboratoire LTI, Université de Picardie Jules Verne, Chemin du Thil, 80025 Amiens, France

Transformer Interpretability Representation Collapse Parameter Identifiability Self-Attention Symmetry Breaking Transformer Attention+2

Mar 31, 2026stat.ML

Breaking Data Symmetry is Needed For Generalization in Feature Learning Kernels

Grokking occurs when a model achieves high training accuracy but generalization to unseen test points happens long after that. This phenomenon was initially observed on a class of algebraic problems, such as learning modular arithmetic (Power et al., 2022). We study grokking on algebraic tasks in a class of feature learning kernels via the Recursive Feature Machine (RFM) algorithm (Radhakrishnan et al., 2024), which iteratively updates feature matrices through the Average Gradient Outer Product (AGOP) of an estimator in order to learn task-relevant features. Our main experimental finding is that generalization occurs only when a certain symmetry in the training set is broken. Furthermore, we empirically show that RFM generalizes by recovering the underlying invariance group action inherent in the data. We find that the learned feature matrices encode specific elements of the invariance group, explaining the dependence of generalization on symmetry.

Marcel Tomàs Bernal, Neil Rohit Mallinar, Mikhail Belkin

CFIS UPC · UC San Diego

Symmetry Breaking Kernel Methods Invariant Representation Learning Grokking

Dec 19, 2025cond-mat.str-el

Revisiting the Broken Symmetry Phase of Solid Hydrogen: A Neural Network Variational Monte Carlo Study

The crystal structure of high-pressure solid hydrogen remains a fundamental open problem. Although the research frontier has mostly shifted toward ultra-high pressure phases above 400 GPa, we show that even the broken symmetry phase observed around 130~GPa requires revisiting due to its intricate coupling of electronic and nuclear degrees of freedom. Here, we develop a first principle quantum Monte Carlo framework based on a deep neural network wave function that treats both electrons and nuclei quantum mechanically within the constant pressure ensemble. Our calculations reveal an unreported ground-state structure candidate for the broken symmetry phase with

Cmcm

space group symmetry, and we test its stability up to 96 atoms. The predicted structure quantitatively matches the experimental equation of state and gives the closest x-ray diffraction peak-position match among the tested candidates. Furthermore, our group-theoretical analysis provides a symmetry-counting compatibility check between the

Cmcm

structure and existing Raman and infrared spectroscopic data. Crucially, static density functional theory calculation reveals the

Cmcm

structure as a dynamically unstable saddle point on the Born-Oppenheimer potential energy surface, demonstrating that a full quantum many-body treatment of the problem is necessary. These results shed new light on the phase diagram of high-pressure hydrogen and call for further experimental verifications.

Shengdu Chai, Chen Lin, Xinyang Dong +4

Interdisciplinary Center for Theoretical Physics and Information Sciences (ICTPIS), Fudan University, Shanghai 200433, China · Shanghai Artificial Intelligence Laboratory, Shanghai 200232, China · Department of Engineering, University of Oxford, Oxford OX1 4BH, UK +4

Crystal Structure Prediction Symmetry Breaking Quantum Many-Body Physics Computational Materials Science