Daily Papers

Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of closed-form multi-center integrals. We present a systematic study of amplitude encoding of STOs on quantum computers using matrix product states (MPS). For one-dimensional orbital functions of the form p_d(x) e^{-ζx}, we derive analytical MPS constructions with constant bond dimension χ= d + 1, requiring O(n) classical and quantum resources for n-qubit registers with no grid sampling. We demonstrate a complete one-electron integral pipeline -- overlap, kinetic energy, and nuclear attraction -- in one dimension, validating the overlap and kinetic energy on IBM Heron processors at 5~qubits with 0.67\% hardware-induced error using Zero-Noise Extrapolation. In three dimensions, we compute multi-center overlap integrals between 1s and 2s orbitals in Cartesian coordinates with 0.02\% discretization error at 18~qubits. A systematic entanglement analysis reveals that the MPS bond dimension of three-dimensional STOs in Cartesian coordinates saturates with increasing grid resolution -- reaching sim138 for the hydrogen 1s orbital at 12~qubits per coordinate -- establishing bounded encoding complexity rather than the exponential scaling initially expected. The SVD truncation threshold provides a practical resource parameter, reducing the bond dimension to 39 at threshold 10^{-6} with negligible accuracy loss. These results map the entanglement landscape for amplitude encoding of atomic orbitals and establish MPS-based state preparation as a viable path toward exact STO basis sets on quantum computers.

Jet taggers built on the Lund declustering tree encode QCD radiation structure in the inputs and process it with graph networks. We ask whether the tree itself can also constrain the computation, and what becomes accessible when it does. For this, we construct a novel quantum-inspired Tree Tensor Network (TTN), where a single tensor core is shared among the internal nodes of the Cambridge/Aachen declustering tree, employing Lund coordinates, and with no particle-identification or detector-level information. The construction is based on a strong prior on the radiation history rather than on the constituents, complementary to compact equivariant taggers. Because the same learned map acts identically at every node, the trained model can be evaluated on truncated trees and its latent space compared across recursions, and used to localise where on the Lund jet plane the Pythia and Herwig jet representations diverge, showing the regions of generator-dependent concentration. The χ=8 model has 4014 trainable parameters against approximately 391,000 for LundNet. We evaluate boosted top tagging and quark/gluon discrimination at particle level on Pythia and Herwig samples, in both native (PythiatoPythia) and transfer (PythiatoHerwig) configurations. Despite differing in capacity by two orders of magnitude, the TTN reaches native performance close to LundNet in quark/gluon discrimination, slightly underperforming in top tagging, with a similar Pythia-to-Herwig transfer behavior in both tasks. Finally, we show the behavior of the network as a function of the bond dimension, and as a function of the perturbative scale.

Topological flat bands (FBs) offer an ideal platform for realizing exotic topological phases, such as fractional Chern insulators, yet their realization with both exact flatness and stable topology in local lattice models has been long hindered by fundamental no-go theorems. Here, we overcome this barrier by demonstrating the existence of critical topological FBs (CTFBs) in finite-range hopping models. They saturate the no-go theorems via a unique structure of Bloch wavefunctions: While continuous over the whole Brillouin zone, the wavefunctions are non-analytic at isolated band touching points, thereby relaxing the inherent restrictions on the coexistence of exact flatness and stable topology. We establish a general principle to construct CTFBs, as well as their parent Hamiltonians, that carry desired topological invariants in given space groups. Explicit examples exhibiting Chern numbers, strong Z_2 index, and crystalline-symmetry-protected invariants in two and three dimensions are provided. Furthermore, an automated algorithm identifies more than 50,000 robust, symmetry-indicated CTFBs. Filling such CTFBs yields short-range entangled topological states that exhibit power-law correlations. Crucially, all filled CTFB states admit exact tensor-network representations with finite bond dimensions, providing a tractable starting point for exploring strongly correlated topological matter.

We investigate the two-dimensional frustrated quantum Heisenberg model with bond disorder on nearest-neighbor couplings using the recently introduced Foundation Neural-Network Quantum States framework, which enables accurate and efficient computation of disorder-averaged observables with a single variational optimization. Simulations on large lattices reveal an extended region of the phase diagram where long-range magnetic order vanishes in the thermodynamic limit, while the overlap order parameter, which characterizes quantum spin glass states, remains finite. These findings, supported by a semiclassical analysis based on a large-spin expansion, provide compelling evidence that the spin glass phase is stable against quantum fluctuations, unlike the classical case where it disappears at any finite temperature.

Background. The widespread deployment of ambient digital scribes is driving large-scale capture of clinician-patient dialogues. Human coding of clinical communication data remains costly, inconsistent, and difficult to scale, motivating AI-driven communication coding systems. However, evaluating these systems requires real-world dialogues and human-coded labels, both hard to obtain at scale. Methods. We developed SIMAX (Scalable and Interpretable Framework for Multi-Fidelity and Annotated Clinician-Patient Dialogue Simulation), a framework for generating controlled clinical dialogue data with reference behavioral annotations. SIMAX generates clinician-patient dialogues from predefined clinical scenarios, personas and voice conditions, and target communication behaviors. Behaviors are controlled using two codebooks: the Global Codebook for overall communication quality and the WISER Codebook for specific countable behaviors. We evaluated SIMAX using automated and human quality assessments and an example communication coding system. Results. SIMAX generated 3,388 simulated dialogues across three specialties, multiple visit stages, persona characteristics, and accent conditions. Automated assessment showed mean UTMOS and WV-MOS scores of 3.03 and 2.61, WER and CER of 0.07 and 0.05, and CLAP cosine similarity of 0.41, suggesting reasonable speech naturalness, high transcription fidelity, and positive text-audio correspondence. Human evaluation showed a median MOS of 4.67 and a median clinical realism score of 3.00. Downstream evaluation suggests that SIMAX can assess how a communication coding system responds to behavioral targets and reveal insufficient sensitivity in some dimensions. Conclusions. SIMAX generates controlled and reproducible simulated clinician-patient dialogues, providing a data foundation for developing, validating, and refining communication coding systems.

The Richtmyer-Meshkov instability (RMI) results from the impulsive acceleration of a density interface where either it or the acceleration is perturbed. Density interfaces may arise due to a change in gas species, isotope, temperature or a combination of these. We computationally investigate the effect of interface type on the plasma RMI, which is relevant for a range of applications, including inertial confinement fusion. We simulate the evolution of single-mode perturbed thermal, species and isotope interfaces in an ideal ion-electron plasma using the multi-fluid plasma (MFP) model. We find that in the MFP model, the evolution of different types of interface differ significantly, in contrast to single-fluid models where they behave similarly if the Atwood number is matched. The thermal and species interfaces produce the most severe response to shock acceleration, experiencing the secondary instabilities and enhanced primary mode growth. The isotope interface evolution is restrained in comparison to the former cases, resembling the response predicted by single-fluid models. The determining factor in the severity of the MFP RMI is the density ratio across the initial interface in the electron fluid, which is unity for an isotope interface. We observe that as the density ratio across the electron interface decreases, so do the magnitudes of the self-generated fields and consequently the severity of the growth amplification. Generally, the evolution of the RMI with different types of interface becomes more similar as the level of coupling between the ion and electron fluids is increased, characterised by reducing the plasma non-dimensional skin depth

We study the scalar curvature of the Fisher information metric on the microscopic coupling-parameter manifold of lattice spin models at criticality. For a d-dimensional lattice with periodic boundary conditions and n = L^d sites, the Fisher manifold has m = d cdot n dimensions (one per bond), and we find |R(J_c)| sim n^{d_R} with d_R = (dν+ 2η)/(dν+ η), where ν and η are the correlation-length and anomalous-dimension critical exponents. For 2D Ising (ν= 1, η= 1/4), this predicts d_R = 10/9, confirmed by exact transfer-matrix computations (L = 6--9: d_R = 1.1115 pm 0.0002) and multi-seed MCMC through L = 24. For 3D Ising (ν= 0.630, η= 0.0363), the prediction d_R = 1.019 is consistent with MCMC on L^3 tori up to L = 10 (power-law fit: d_R = 1.040). For 2D Potts q = 3 (predicted 33/29 approx 1.138), FFT-MCMC through L = 40 shows d_eff oscillating non-monotonically around sim 1.20, consistent with O(1/(ln L)^2) logarithmic corrections. For q = 4 (predicted 22/19), effective exponents oscillate with strong logarithmic corrections. The Ricci decomposition identity R_3 = -R_1/2, R_4 = -R_2/2 holds to 5--6 digits for all models. This exponent is distinct from Ruppeiner thermodynamic curvature and reflects the collective geometry of the growing Fisher manifold. We provide falsification criteria and predictions for additional universality classes.

In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal-insulator transition. This paper presents a combined theoretical and experimental analysis of the dependence of the metal-insulator transition of NdNiO_3 on crystal structure, specifically comparing properties of bulk materials to one and two layer samples of NdNiO_3 grown between multiple electronically inert NdAlO_3 counterlayers in a superlattice. The comparison amplifies and validates a theoretical approach developed in previous papers and disentangles the electronic and lattice contributions, through an independent variation of each. In bulk NdNiO_3 the correlations are not strong enough to drive a metal-insulator transition by themselves: a lattice distortion is required. Ultra-thin films exhibit two additional electronic effects and one lattice-related effect. The electronic effects are quantum confinement, leading to dimensional reduction of the electronic Hamiltonian, and an increase in electronic bandwidth due to counterlayer induced bond angle changes. We find that the confinement effect is much more important. The lattice effect is an increase in stiffness due to the cost of propagation of the lattice disproportionation into the confining material.

Every generative model for crystalline materials harbors a critical structure size beyond which its outputs quietly become unreliable -- we call this the extrapolation frontier. Despite its direct consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of {sim}75,000 nanoparticle structures (55-11,298 atoms) that treats radius as a continuous scaling knob to trace generation quality from in-distribution to out-of-distribution regimes under leakage-free splits. RADII provides frontier-specific diagnostics: per-radius error profiles pinpoint each architecture's scaling ceiling, surface-interior decomposition tests whether failures originate at boundaries or in bulk, and cross-metric failure sequencing reveals which aspect of structural fidelity breaks first. Benchmarking five state-of-the-art architectures, we find that: (i) all models degrade by {sim}13% in global positional error beyond training radii, yet local bond fidelity diverges wildly across architectures -- from near-zero to over 2times collapse; (ii) no two architectures share the same failure sequence, revealing the frontier as a multi-dimensional surface shaped by model family; and (iii) well-behaved models obey a power-law scaling exponent αapprox 1/3 whose in-distribution fit accurately predicts out-of-distribution error, making their frontiers quantitatively forecastable. These findings establish output scale as a first-class evaluation axis for geometric generative models. The dataset and code are available at https://github.com/KurbanIntelligenceLab/RADII.

This article presents a Monte Carlo study on bond percolation in distorted square and triangular lattices. The distorted lattices are generated by dislocating the sites from their regular positions. The amount and direction of the dislocations are random, but can be tuned by the distortion parameter α. Once the sites are dislocated, the bond lengths δ between the nearest neighbors change. A bond can only be occupied if its bond length is less than a threshold value called the connection threshold d. It is observed that when the connection threshold is greater than the lattice constant (assumed to be 1), the bond percolation threshold p_b always increases with distortion. For dle 1, no spanning configuration is found for the square lattice when the lattice is distorted, even very slightly. On the other hand, the triangular lattice not only spans for dle 1, it also shows a decreasing trend for p_b in the low-α range. These variation patterns have been linked with the average coordination numbers of the distorted lattices. A critical value d_c for the connection threshold has been defined as the value of d below which no spanning configuration can be found even after occupying all the bonds satisfying the connection criterion δle d. The behavior of d_c(α) is markedly different for the two lattices.

For a graph G with n vertices and m edges, Lin et al. Lin define the atom--bond sum-connectivity (ABS) matrix of G such that the (i,j)^{th} entry is \[ 1 - \frac{2{d_i + d_j}} \] if vertex v_i is adjacent to the vertex v_j, and 0 otherwise. In this article, we determine the characteristic polynomial of the ABS matrix for certain specific classes of graphs. Furthermore, we compute the ABS eigenvalues and the ABS energy for these classes.

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

The standard basis of transformer hidden states is a training-free, architecture-general feature basis for detecting concepts and, in language models, steering them; with no learned dictionary. Individual dimensions act as binary registers read one at a time: their signs (+/-1) encode content, their magnitudes strength. A feature is just a subset of dimensions with a consistent sign pattern, read by counting sign agreements. We validate this Bag of Dims (BoD) framework across seven models spanning language, vision, and audio; reading dimensions one at a time loses nothing, as a full-capacity MLP adds zero AUC over per-dim reading. The same per-dimension signs appear in every modality, so they reflect transformer training itself, not the language objective. Sign alone carries predictive content: setting all magnitudes to unity preserves 60-93% top-5 next-token accuracy through the LM head. From a single-token cache (one forward pass per token, no labels) we detect 175 categories at AUC 0.97-0.99 by counting sign agreements, and from random seeds alone discovery scales to 1500 features per model. A trained probe adds only +0.018 AUC and converges to axis-aligned weights: the rotation dictionaries learn buys little. Signs are causally operative: they survive the attention projections, and flipping a concept's sign pattern in the live forward pass suppresses it. Reading and steering are separate roles in the same basis: a concept's reader dimensions are not its writer dimensions. The writer target is just as cheap, the sign of the summed unembedding rows over a few seeds, no training. Injected through the attention output pathway under closed-loop control, it steers concepts into fluent text on four language models (62-92% of twelve concepts). The signs were in the standard basis all along; the open problem is no longer finding the right rotation but cataloging what each dimension encodes.

Logic Tensor Networks (LTN) provide a neurosymbolic framework in which first-order logic is interpreted through tensor operations, enabling logical constraints to be integrated with differentiable learning. However, the original formulation of LTN is primarily suited to data represented as flat collections of individuals, and does not explicitly capture structural organization such as temporal order, sequential position, or graph connectivity. We introduce sLTN, an extension of LTN that makes structural dimensions first-class elements of the language. Structural dimensions represent named tensor axes associated with domain-specific organization, such as time steps, sequence positions, or graph nodes. They can be quantified explicitly, related through structural relations, and used to express temporal, sequential, and relational constraints directly at the logical level. We formalize the syntax and fuzzy tensor semantics of sLTN and show that, in the absence of structural dimensions, the framework recovers the original LTN semantics as a special case. We further describe a PyTorch implementation based on a declarative signature, formula parsing, and tensorial interpretation. The framework is illustrated on representative temporal and sequential reasoning examples. This paper serves as a companion to the sltn library, available at https://github.com/logictensornetworks/sltn.

Making statements about the performance of trained models on tasks involving new data is one of the primary goals of machine learning, i.e., to understand the generalization power of a model. Various capacity measures try to capture this ability, but usually fall short in explaining important characteristics of models that we observe in practice. In this study, we propose the local effective dimension as a capacity measure which seems to correlate well with generalization error on standard data sets. Importantly, we prove that the local effective dimension bounds the generalization error and discuss the aptness of this capacity measure for machine learning models.

Model dimension (d_{model}) is a fundamental hyperparameter in transformer language models, yet its role in setting the geometric limits of feature representation remains under-explored. Grounded in the Linear Representation and Superposition Hypotheses - which propose that models encode features as near-orthogonal directions in latent space - we develop a framework for estimating how many such directions a model can support. We first establish the embedding matrix as a measurable proxy for near-orthogonality constraints across the latent space: the boundary between meaningful token relationships and incidental similarity in the pairwise cosine similarity distribution gives a concrete estimate of the model's accepted deviation varepsilon from perfect orthogonality. Applying this metric across dozens of open-source models reveals two classes: models with high varepsilon whose embeddings lack near-orthogonal structure, and models with low varepsilon that maintain it. We then show that the standard Johnson-Lindenstrauss lemma greatly underestimates the packing efficiency of trained representations, and derive an adjusted capacity formula in which the number of near-orthogonal directions depends on the ratio of vectors to dimensions (k/d) rather than the raw count - a single modification that cuts prediction error by two orders of magnitude with no extra parameters. Combining these results, we define representational capacity as an upper bound on the number of distinguishable directions available for features and embeddings in a model's latent space. Capacity is exponentially sensitive to varepsilon, and larger models favor tighter orthogonality constraints over maximizing raw capacity - a pattern compatible with several explanations (a stability-capacity trade-off, a ceiling on usable concepts, or confounds with model scale) that we leave to future work.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

We explore the consequences of multi-trace deformations in applications of gauge-gravity duality to condensed matter physics. We find that they introduce a powerful new "knob" that can implement spontaneous symmetry breaking, and can be used to construct a new type of holographic superconductor. This knob can be tuned to drive the critical temperature to zero, leading to a new quantum critical point. We calculate nontrivial critical exponents, and show that fluctuations of the order parameter are `locally' quantum critical in the disordered phase. Most notably the dynamical critical exponent is determined by the dimension of an operator at the critical point. We argue that the results are robust against quantum corrections and discuss various generalizations.

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant network, named QHNet, that achieves efficiency and equivariance. Our key advance lies at the innovative design of QHNet architecture, which not only obeys the underlying symmetries, but also enables the reduction of number of tensor products by 92\%. In addition, QHNet prevents the exponential growth of channel dimension when more atom types are involved. We perform experiments on MD17 datasets, including four molecular systems. Experimental results show that our QHNet can achieve comparable performance to the state of the art methods at a significantly faster speed. Besides, our QHNet consumes 50\% less memory due to its streamlined architecture. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Why does the low dimensionality of representations, typically dapprox 1000, not prevent modern embedding-based retrieval models from scaling to billions, or even trillions, of data points? To answer this question, we study maximal-margin embeddings in the following retrieval model, classically studied in communication complexity [PS86] and more recently in embedding-based retrieval [WBNL26]. Let Ain {0,1}^{Ntimes n} be a matrix indicating whether each of N queries is relevant to each of n documents. We are interested in the largest margin m>0, denoted by m^{rd}(d, A), for which there exist unit norm embeddings of the queries and documents {U_j}_{j = 1}^N, {V_i}_{i = 1}^n with the following property. langle U_j, V_irangle ge m whenever A_{ji} = 1 and langle U_j, V_irangle le -m otherwise. A large margin is a key proxy for representation quality: it controls both robustness to perturbations and compositional generalization across queries. Our main theorem establishes that the best possible margin without a restriction on the dimension, m^{rd}(+infty, A), can be nearly achieved in dimension d = O(m^{rd}(+infty, A)^{-2}log n) which improves a theorem of [BDES02]. Together with a matching lower bound in Theorem 1.5, we conclude that when Ain {0,1}^{n{k}times n} is the matrix containing all possible k-sparse rows once, dimension d = O(klog (n/k)) is necessary and sufficient for the maximal possible margin m^{rd}(+infty, A) = Θ(k^{-1/2}) in this setting. This fully resolves the setup of [WBNL26]. We also give several constructions for large margins when d = o(klog (n/k)). Finally, we empirically test the InfoNCE and sigmoid losses for producing large margin embeddings and demonstrate a clear advantage of the sigmoid loss.

Given a 3-dimensional (para-)CR structure, its family of chains define a 3-dimensional path geometry. We provide necessary and sufficient conditions that determine whether a path geometry in dimension three arises from chains of a CR or para-CR 3-manifold. We demonstrate how our characterization can be verified computationally for a given 3-dimensional path geometry and discuss a few examples.

Local molecular orientation and conformation within nanostructures is central to their behavior in devices, emergent quantum states, and biological processes. X-ray microscopy and scattering at the carbon absorption edge is uniquely sensitive to these phenomena, through transition dipole moments encoded with photon energy and polarization. However, quantitative analysis is precluded due to the lack of accurate optical models with bond and orientation specificity. We generate such a model through an unsupervised machine learning algorithm that clusters density functional theory calculations into principle electronic transitions, quantitatively refined with angle-resolved absorbance measurements. The resulting optical tensor reproduces data from samples with domains of different orientation and crystalline packing. This refinement method connects spectral features to chemical moieties and resolves measurement-inaccessible dipole moments, establishing a new paradigm for label-free orientation analyses of bonds within molecular nanostructures.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Fault-tolerant quantum computers offer the promise of dramatically improving machine learning through speed-ups in computation or improved model scalability. In the near-term, however, the benefits of quantum machine learning are not so clear. Understanding expressibility and trainability of quantum models-and quantum neural networks in particular-requires further investigation. In this work, we use tools from information geometry to define a notion of expressibility for quantum and classical models. The effective dimension, which depends on the Fisher information, is used to prove a novel generalisation bound and establish a robust measure of expressibility. We show that quantum neural networks are able to achieve a significantly better effective dimension than comparable classical neural networks. To then assess the trainability of quantum models, we connect the Fisher information spectrum to barren plateaus, the problem of vanishing gradients. Importantly, certain quantum neural networks can show resilience to this phenomenon and train faster than classical models due to their favourable optimisation landscapes, captured by a more evenly spread Fisher information spectrum. Our work is the first to demonstrate that well-designed quantum neural networks offer an advantage over classical neural networks through a higher effective dimension and faster training ability, which we verify on real quantum hardware.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

The Hohenberg-Mermin-Wagner theorem motivates the expectation that continuous symmetries remain unbroken in one-dimensional quantum ground states. Here, contrary to this expectation, we demonstrate the spontaneous breaking of U(1) spin-rotation symmetry and the emergence of an interacting quantum critical point in lattice spin-1/2 and spin-1 chains. Using subsystem Binder scaling, we locate the critical point and determine the correlation-length critical exponent as ν= 0.60 pm 0.02, distinct from the Gaussian value 0.5 but consistent with the perturbative renormalization-group prediction. We further analyze the finite-size scaling of the lowest neutral excitation gap and obtain the dynamical critical exponent z=1.986 pm 0.005. The result z < 2 is incompatible with microscopic realizations of this critical theory by frustration-free models, implying a mechanism for continuous symmetry breaking in one-dimensional quantum ground states distinct from frustration freeness.

Large language models (LLMs) have achieved remarkable progress in natural language generation, yet they continue to display puzzling behaviors -- such as repetition and incoherence -- even when exhibiting low perplexity. This highlights a key limitation of conventional evaluation metrics, which emphasize local prediction accuracy while overlooking long-range structural complexity. We introduce correlation dimension, a fractal-geometric measure of self-similarity, to quantify the epistemological complexity of text as perceived by a language model. This measure captures the hierarchical recurrence structure of language, bridging local and global properties in a unified framework. Through extensive experiments, we show that correlation dimension (1) reveals three distinct phases during pretraining, (2) reflects context-dependent complexity, (3) indicates a model's tendency toward hallucination, and (4) reliably detects multiple forms of degeneration in generated text. The method is computationally efficient, robust to model quantization (down to 4-bit precision), broadly applicable across autoregressive architectures (e.g., Transformer and Mamba), and provides fresh insight into the generative dynamics of LLMs.

Classical continual learning (CL) has primarily focused on enabling models to update and retain knowledge through parameter-centric mechanisms, e.g., training strategies, architectural designs, and weight adaptation. However, emerging paradigms are reshaping the scope of CL beyond this traditional model adaptation view. For instance, on-policy learning broadens the space of update mechanisms; test-time training extends CL from the training phase to inference; and external harness components such as memory, skill libraries, and interaction protocols extend the evolutionary boundaries of model capabilities far beyond the static parameter space. Collectively, these developments indicate a transition from parameter-centric learning toward system-level adaptation. To characterize this transition, we examine the evolution of continual learning through three dimensions: When, How, and Where learning occurs. The How dimension encompasses off-policy, on-policy, and beyond-gradient optimization mechanics. The When dimension captures evolution across pre-training, post-training, and inference-time stages. The Where dimension delineates updates occurring within internal parameters versus external structural constraints. Anchored by this tri-axial framework, we systematically survey representative methods, trace the ongoing transition of continual learning, and discuss the key challenges, broader implications, and future directions arising from this paradigm shift.

Intrinsic dimension (ID) is an important tool in modern LLM analysis, informing studies of training dynamics, scaling behavior, and dataset structure, yet its textual determinants remain underexplored. We provide the first comprehensive study grounding ID in interpretable text properties through cross-encoder analysis, linguistic features, and sparse autoencoders (SAEs). In this work, we establish three key findings. First, ID is complementary to entropy-based metrics: after controlling for length, the two are uncorrelated, with ID capturing geometric complexity orthogonal to prediction quality. Second, ID exhibits robust genre stratification: scientific prose shows low ID (~8), encyclopedic content medium ID (~9), and creative/opinion writing high ID (~10.5) across all models tested. This reveals that contemporary LLMs find scientific text "representationally simple" while fiction requires additional degrees of freedom. Third, using SAEs, we identify causal features: scientific signals (formal tone, report templates, statistics) reduce ID; humanized signals (personalization, emotion, narrative) increase it. Steering experiments confirm these effects are causal. Thus, for contemporary models, scientific writing appears comparatively "easy", whereas fiction, opinion, and affect add representational degrees of freedom. Our multi-faceted analysis provides practical guidance for the proper use of ID and the sound interpretation of ID-based results.

We classify four-dimensional N=1 supersymmetric gauge theories with a simple gauge group admitting a large N limit that flow to non-trivial superconformal fixed points in the infrared. We focus on the cases where the large N limit can be taken while keeping the flavor symmetry fixed so that the putative holographic dual has a fixed gauge group. We find that they can be classified into three types -- Type I, Type II, and Type III -- exhibiting universal behavior. Type I theories have a neq c in the large N limit and scale linearly in N; the gap of scaling dimensions among BPS operators behaves as 1/N. Type II theories have a=c in the large N limit, and satisfy a simeq c simeq 27{128} dim G, and Type III theories have a simeq c simeq 1{4} dim G. For Type II and Type III theories, the gap of scaling dimensions stays O(1) in the large N limit. We enumerate relevant and marginal operators of these theories and find that non-trivial conformal manifolds emerge upon relevant deformations. Moreover, we find that a modified version of the AdS Weak Gravity Conjecture, based on the supersymmetric Cardy formula, holds for all of these theories, even for finite N.

The Universal Approximation Theorem posits that neural networks can theoretically possess unlimited approximation capacity with a suitable activation function and a freely chosen or trained set of parameters. However, a more practical scenario arises when these neural parameters, especially the nonlinear weights and biases, are bounded. This leads us to question: Does the approximation capacity of a neural network remain universal, or does it have a limit when the parameters are practically bounded? And if it has a limit, how can it be measured? Our theoretical study indicates that while universal approximation is theoretically feasible, in practical numerical scenarios, Deep Neural Networks (DNNs) with any analytic activation functions (such as Tanh and Sigmoid) can only be approximated by a finite-dimensional vector space under a bounded nonlinear parameter space (NP space), whether in a continuous or discrete sense. Based on this study, we introduce the concepts of ε outer measure and Numerical Span Dimension (NSdim) to quantify the approximation capacity limit of a family of networks both theoretically and practically. Furthermore, drawing on our new theoretical study and adopting a fresh perspective, we strive to understand the relationship between back-propagation neural networks and random parameter networks (such as the Extreme Learning Machine (ELM)) with both finite and infinite width. We also aim to provide fresh insights into regularization, the trade-off between width and depth, parameter space, width redundancy, condensation, and other related important issues.

Deep generative models have recently achieved superior performance in 3D molecule generation. Most of them first generate atoms and then add chemical bonds based on the generated atoms in a post-processing manner. However, there might be no corresponding bond solution for the temporally generated atoms as their locations are generated without considering potential bonds. We define this problem as the atom-bond inconsistency problem and claim it is the main reason for current approaches to generating unrealistic 3D molecules. To overcome this problem, we propose a new diffusion model called MolDiff which can generate atoms and bonds simultaneously while still maintaining their consistency by explicitly modeling the dependence between their relationships. We evaluated the generation ability of our proposed model and the quality of the generated molecules using criteria related to both geometry and chemical properties. The empirical studies showed that our model outperforms previous approaches, achieving a three-fold improvement in success rate and generating molecules with significantly better quality.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.

Firm characteristics are commonly represented as fixed vectors, even though evidence about firms' operations arrives as heterogeneous collections of articles reports. We study how distances between distributions of firm characteristics restrict systematic covariance. For given latent exposure laws, quadratic Wasserstein geometry yields sharp covariance endpoints over admissible couplings. Under a common randomized bi-Lipschitz characteristic-to-exposure map, bounded risk-coordinate slack, and a maintained return-covariance bridge, characteristic-side distance yields a conditional interval for the covariance ceiling. Greater separation then leaves less scope for aligned systematic exposures when these assumptions are tight, while a non-negative transport excess term records the gap between realized and maximum-covariance arrangements. The resulting envelope is scenario analysis rather than an expected-return, no-arbitrage, or identified structural model. Empirically, we proxy characteristic distributions with encoder-only language-model embeddings of financial news articles, disclosures, and analyst reports for Nasdaq firms over 2018-2022. In a dyadic regression with symmetric firm effects, greater pairwise article-embedding W2 distance is associated with weaker return co-movement: the coefficient is 1.920, with 95% interval [1.412, 2.468]. The estimate retains the same sign when returns are measured in a later window, although the feature construction is not point-in-time and the evidence remains reduced form.