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Jul 6

Synergistic Fusion of Multi-Source Knowledge via Evidence Theory for High-Entropy Alloy Discovery

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

  • 9 authors
·
Feb 20, 2025

Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been sparse due to limited availability of reliable datasets. In this work, we developed an `in-house' rare-earth database with more than 600+ compounds, each entry was populated with formation enthalpy and related atomic features using high-throughput density-functional theory (DFT). The SISSO (sure independence screening and sparsifying operator) based machine-learning method with meaningful atomic features was used for training and testing the formation enthalpies of rare earth compounds. The complex lattice function coupled with the machine-learning model was used to explore the effect of transition metal alloying on the energy stability of Ce based cubic Laves phases (MgCu_{2} type). The SISSO predictions show good agreement with high-fidelity DFT calculations and X-ray powder diffraction measurements. Our study provides quantitative guidance for compositional considerations within a machine-learning model and discovering new metastable materials. The electronic-structure of Ce-Fe-Cu based compound was also analyzed in-depth to understand the electronic origin of phase stability. The interpretable analytical models in combination with density-functional theory and experiments provide a fast and reliable design guide for discovering technologically useful materials.

  • 5 authors
·
Mar 3, 2022

Geometric Phase Transition Enables Extreme Hippocampal Memory Capacity

Memory systems can store vastly different amounts of information despite similar hardware constraints. Here, we show that superior spatial memory emerges from a discrete stiffening of hippocampal population geometry-a transition from disorganized to crystalline collective coding. Comparing food-caching chickadees to non-caching zebra finches, we found that the caching hippocampus maintains a topologically rigid, "crystalline" geometry with significantly higher geometric stability (Shesha 0.245 v 0.166) and nearly two-fold greater temporal coherence (Shesha 0.393 v 0.209), while the non-caching hippocampus resembles a disorganized "mist." This stability is actively constructed by synergistic circuit dynamics: excitatory neurons form the spatial scaffold while inhibitory populations contribute orthogonal decorrelation, a circuit motif in which excitatory and inhibitory populations occupy largely non-overlapping representational subspaces. A double dissociation with Valiant's Stable Memory Allocator, a model predicting that dedicated neuron ensembles underlie each memory, confirms this advantage reflects continuous topological organization rather than discrete neuron allocation: caching networks exhibit near-zero split-half allocation reliability despite their geometric superiority. Computational modeling across 10k configurations reveals topological rigidity as the mathematical prerequisite for scale: crystalline codes sustain high-fidelity readout beyond M=1k locations while mist codes fail below M=10, a >100-fold capacity advantage. This capacity requires a 169fold representational redundancy: a "geometric tax" stabilizing the manifold against biological noise. These results establish geometric stability as a candidate organizing principle of biological memory: evolution achieves high-capacity memory not by proliferating neurons, but by engineering the geometry of the neural code itself.

  • 1 authors
·
May 15 1

Rotary Positional Embeddings as Phase Modulation: Theoretical Bounds on the RoPE Base for Long-Context Transformers

Rotary positional embeddings (RoPE) are widely used in large language models to encode token positions through multiplicative rotations, yet their behavior at long context lengths remains poorly characterized. In this work, we reinterpret RoPE as phase modulation applied to a bank of complex oscillators, enabling analysis through classical signal processing theory. Under this formulation, we derive principled lower bounds on the RoPE base parameter that are necessary to preserve positional coherence over a target context length. These include a fundamental aliasing bound, analogous to a Nyquist limit, and a DC-component stability bound that constrains phase drift in low-frequency positional modes. We further extend this analysis to deep transformers, showing that repeated rotary modulation across layers compounds angular misalignment, tightening the base requirement as depth increases. Complementing these results, we derive a precision-dependent upper bound on the RoPE base arising from finite floating-point resolution. Beyond this limit, incremental phase updates become numerically indistinguishable, leading to positional erasure even in the absence of aliasing. Together, the lower and upper bounds define a precision- and depth-dependent feasibility region a Goldilocks zone for long-context transformers. We validate the framework through a comprehensive case study of state-of-the-art models, including LLaMA, Mistral, and DeepSeek variants, showing that observed successes, failures, and community retrofits align closely with the predicted bounds. Notably, models that violate the stability bound exhibit attention collapse and long-range degradation, while attempts to scale beyond one million tokens encounter a hard precision wall independent of architecture or training.

  • 1 authors
·
Feb 11

Efficient Continual Pre-training by Mitigating the Stability Gap

Continual pre-training has increasingly become the predominant approach for adapting Large Language Models (LLMs) to new domains. This process involves updating the pre-trained LLM with a corpus from a new domain, resulting in a shift in the training distribution. To study the behavior of LLMs during this shift, we measured the model's performance throughout the continual pre-training process. we observed a temporary performance drop at the beginning, followed by a recovery phase, a phenomenon known as the "stability gap," previously noted in vision models classifying new classes. To address this issue and enhance LLM performance within a fixed compute budget, we propose three effective strategies: (1) Continually pre-training the LLM on a subset with a proper size for multiple epochs, resulting in faster performance recovery than pre-training the LLM on a large corpus in a single epoch; (2) Pre-training the LLM only on high-quality sub-corpus, which rapidly boosts domain performance; and (3) Using a data mixture similar to the pre-training data to reduce distribution gap. We conduct various experiments on Llama-family models to validate the effectiveness of our strategies in both medical continual pre-training and instruction tuning. For example, our strategies improve the average medical task performance of the OpenLlama-3B model from 36.2% to 40.7% with only 40% of the original training budget and enhance the average general task performance without causing forgetting. Furthermore, we apply our strategies to the Llama-3-8B model. The resulting model, Llama-3-Physician, achieves the best medical performance among current open-source models, and performs comparably to or even better than GPT-4 on several medical benchmarks. We release our models at https://huggingface.co/YiDuo1999/Llama-3-Physician-8B-Instruct.

  • 5 authors
·
Jun 20, 2024 1

Exploring and Exploiting Stability in Latent Flow Matching

In this work, we show that Latent Flow-Matching (LFM) models are robust to different types of perturbations, including data reduction and model capacity shrinkage. We characterize this stability by their tendency to generate similar outputs under identical noise seeds. We provide a perspective relating this phenomenon to flow matching theory, which indicates that this stability is inherent to the FM objective. We further exploit this stability to derive practical algorithms for more efficient training and inference. Concretely, first, we show that by training LFM models on significantly reduced datasets, the performance does not degrade perceptually or quantitatively. This yields multiple advantages, such as reducing training time by converging faster under limited compute budget, and alleviating annotation effort when training conditional models. Second, LFM stability under architectural shrinkage gives rise to a two-model coarse-to-fine approach, one using a light-weight architecture for the first phase of the FM trajectory, and one with higher capacity for the second, thereby reducing the inference cost substantially. To determine which samples are informative, we introduce three sample-scoring criteria and evaluate them under standard metrics for generative models. Our results are thoroughly evaluated on multiple datasets, demonstrating the practical advantage of this stability, including data saving and a more than two-fold inference speedup while generating comparable outputs.

  • 5 authors
·
May 7

Continual evaluation for lifelong learning: Identifying the stability gap

Time-dependent data-generating distributions have proven to be difficult for gradient-based training of neural networks, as the greedy updates result in catastrophic forgetting of previously learned knowledge. Despite the progress in the field of continual learning to overcome this forgetting, we show that a set of common state-of-the-art methods still suffers from substantial forgetting upon starting to learn new tasks, except that this forgetting is temporary and followed by a phase of performance recovery. We refer to this intriguing but potentially problematic phenomenon as the stability gap. The stability gap had likely remained under the radar due to standard practice in the field of evaluating continual learning models only after each task. Instead, we establish a framework for continual evaluation that uses per-iteration evaluation and we define a new set of metrics to quantify worst-case performance. Empirically we show that experience replay, constraint-based replay, knowledge-distillation, and parameter regularization methods are all prone to the stability gap; and that the stability gap can be observed in class-, task-, and domain-incremental learning benchmarks. Additionally, a controlled experiment shows that the stability gap increases when tasks are more dissimilar. Finally, by disentangling gradients into plasticity and stability components, we propose a conceptual explanation for the stability gap.

  • 3 authors
·
May 26, 2022

Hierarchical Cooperative MARL for Joint Downlink PRB and Power Allocation in a 5G System

Efficient downlink radio resource management in 5G requires jointly optimizing user scheduling and transmit-power allocation under time-varying wireless conditions. This is challenging in OFDMA systems because PRB assignment is combinatorial, power allocation is continuous, and performance depends on channel evolution, link adaptation, and long-term fairness. We propose a hierarchical cooperative multi-agent reinforcement learning framework with staged curriculum training for joint downlink PRB and power allocation in a physically grounded 5G environment. System-level simulation is implemented in Sionna, while Sionna RT supports wireless scene construction and mobility-aware ray-traced channel generation. The control task is decomposed into two sequential stages: a PRB agent learns user-level resource shares, which are converted to exact PRB assignments by a deterministic channel-aware quota resolver, and a power agent distributes the base-station power budget across users and their assigned PRB-symbol resources. The framework operates in a cross-layer loop with adaptive modulation and coding, HARQ feedback, outer-loop link adaptation, and a fairness-aware reward based on smoothed throughput and Jain's fairness index. Training stability is improved through a three-phase curriculum for PRB allocation, power control, and joint fine-tuning. Under matched channel realizations, we compare against a PF scheduler with equal-power transmission and two ablations isolating the learned PRB and power-control components. Results show that both learned components improve throughput distribution relative to PF, while the full PRB and power controller achieves the largest cell-throughput gain with only a modest reduction in Jain's fairness index.

  • 4 authors
·
May 3

Phonon vibrational and transport properties of SnSe/SnS superlattice at finite temperatures

The structural stability and phonon properties of SnSe/SnS superlattices at finite temperatures have been studied using machine learning force field molecular dynamics and the anharmonic phonon approach. The vertical SnSe/SnS superlattice undergoes a phase transition from the Pnma phase to a novel P4/nmm phase at finite temperatures, which is different from the high-temperature Cmcm phase of the SnSe and SnS systems. The stability of P4/nmm phase is determined by molecular dynamics trajectories and anharmonic phonon dispersion relations. The imaginary modes of TO modes at the q=M(1/2,1/2,0) point of the P4/nmm phase in harmonic approximation become rigid at elevated temperatures. An analysis of phonon power spectra upon temperature also confirms the dynamic stabilization. The P4/nmm phase has higher symmetry than the Pnma phase, and the phase transition between them is accompanied by competition between the Jahn-Teller effect and phonon anharmonicity. Unlike the anisotropic distribution of Sn-Se/S bonds in the Pnma phase, the P4/nmm phase forms chemical bonds with similar bond lengths both in-plane and interlayer, and their resonance effect can significantly enhance phonon scattering. The calculated phonon density of states and lifetime is strongly temperature dependent, demonstrating the heavy anharmonicity in the SnSe/SnS system. The P4/nmm phase has an extremely low lattice thermal conductivity, close to the experimental values of SnSe and SnS. Moreover, with the reduction of band gap and the enhancement of band degeneracy near the Fermi level, the P4/nmm phase exhibits superior electronic transport properties and significantly enhanced response to infrared and visible light. This makes it show great potential in thermoelectric and photovoltaic applications.

  • 4 authors
·
Feb 11, 2025

TruKAN: Towards More Efficient Kolmogorov-Arnold Networks Using Truncated Power Functions

To address the trade-off between computational efficiency and adherence to Kolmogorov-Arnold Network (KAN) principles, we propose TruKAN, a new architecture based on the KAN structure and learnable activation functions. TruKAN replaces the B-spline basis in KAN with a family of truncated power functions derived from k-order spline theory. This change maintains the KAN's expressiveness while enhancing accuracy and training time. Each TruKAN layer combines a truncated power term with a polynomial term and employs either shared or individual knots. TruKAN exhibits greater interpretability than other KAN variants due to its simplified basis functions and knot configurations. By prioritizing interpretable basis functions, TruKAN aims to balance approximation efficacy with transparency. We develop the TruKAN model and integrate it into an advanced EfficientNet-V2-based framework, which is then evaluated on computer vision benchmark datasets. To ensure a fair comparison, we develop various models: MLP-, KAN-, SineKAN and TruKAN-based EfficientNet frameworks and assess their training time and accuracy across small and deep architectures. The training phase uses hybrid optimization to improve convergence stability. Additionally, we investigate layer normalization techniques for all the models and assess the impact of shared versus individual knots in TruKAN. Overall, TruKAN outperforms other KAN models in terms of accuracy, computational efficiency and memory usage on the complex vision task, demonstrating advantages beyond the limited settings explored in prior KAN studies.

  • 3 authors
·
Feb 1 1

DreamPolish: Domain Score Distillation With Progressive Geometry Generation

We introduce DreamPolish, a text-to-3D generation model that excels in producing refined geometry and high-quality textures. In the geometry construction phase, our approach leverages multiple neural representations to enhance the stability of the synthesis process. Instead of relying solely on a view-conditioned diffusion prior in the novel sampled views, which often leads to undesired artifacts in the geometric surface, we incorporate an additional normal estimator to polish the geometry details, conditioned on viewpoints with varying field-of-views. We propose to add a surface polishing stage with only a few training steps, which can effectively refine the artifacts attributed to limited guidance from previous stages and produce 3D objects with more desirable geometry. The key topic of texture generation using pretrained text-to-image models is to find a suitable domain in the vast latent distribution of these models that contains photorealistic and consistent renderings. In the texture generation phase, we introduce a novel score distillation objective, namely domain score distillation (DSD), to guide neural representations toward such a domain. We draw inspiration from the classifier-free guidance (CFG) in textconditioned image generation tasks and show that CFG and variational distribution guidance represent distinct aspects in gradient guidance and are both imperative domains for the enhancement of texture quality. Extensive experiments show our proposed model can produce 3D assets with polished surfaces and photorealistic textures, outperforming existing state-of-the-art methods.

  • 8 authors
·
Nov 3, 2024 2

DIAL: Decoupling Intent and Action via Latent World Modeling for End-to-End VLA

The development of Vision-Language-Action (VLA) models has been significantly accelerated by pre-trained Vision-Language Models (VLMs). However, most existing end-to-end VLAs treat the VLM primarily as a multimodal encoder, directly mapping vision-language features to low-level actions. This paradigm underutilizes the VLM's potential in high-level decision making and introduces training instability, frequently degrading its rich semantic representations. To address these limitations, we introduce DIAL, a framework bridging high-level decision making and low-level motor execution through a differentiable latent intent bottleneck. Specifically, a VLM-based System-2 performs latent world modeling by synthesizing latent visual foresight within the VLM's native feature space; this foresight explicitly encodes intent and serves as the structural bottleneck. A lightweight System-1 policy then decodes this predicted intent together with the current observation into precise robot actions via latent inverse dynamics. To ensure optimization stability, we employ a two-stage training paradigm: a decoupled warmup phase where System-2 learns to predict latent futures while System-1 learns motor control under ground-truth future guidance within a unified feature space, followed by seamless end-to-end joint optimization. This enables action-aware gradients to refine the VLM backbone in a controlled manner, preserving pre-trained knowledge. Extensive experiments on the RoboCasa GR1 Tabletop benchmark show that DIAL establishes a new state-of-the-art, achieving superior performance with 10x fewer demonstrations than prior methods. Furthermore, by leveraging heterogeneous human demonstrations, DIAL learns physically grounded manipulation priors and exhibits robust zero-shot generalization to unseen objects and novel configurations during real-world deployment on a humanoid robot.

  • 6 authors
·
Mar 31

Synchrony and Oscillatory Dynamics for a 2-D PDE-ODE Model of Diffusion-Sensing with Small Signaling Compartments

We analyze a class of cell-bulk coupled PDE-ODE models, motivated by quorum and diffusion sensing phenomena in microbial systems, that characterize communication between localized spatially segregated dynamically active signaling compartments that have a permeable boundary. Each cell secretes a signaling chemical into the bulk region at a constant rate and receives a feedback of the bulk chemical from the entire collection of cells. This global feedback, which activates signaling pathways within the cells, modifies the intracellular dynamics according to the external environment. The cell secretion and global feedback are regulated by permeability parameters across the cell membrane. For arbitrary reaction-kinetics within each cell, the method of matched asymptotic expansions is used in the limit of small cell radius to construct steady-state solutions of the PDE-ODE model, and to derive a globally coupled nonlinear matrix eigenvalue problem (GCEP) that characterizes the linear stability properties of the steady-states. In the limit of large bulk diffusivity an asymptotic analysis of the PDE-ODE model leads to a limiting ODE system for the spatial average of the concentration in the bulk region that is coupled to the intracellular dynamics within the cells. Results from the linear stability theory and ODE dynamics are illustrated for Sel'kov reaction-kinetics, where the kinetic parameters are chosen so that each cell is quiescent when uncoupled from the bulk medium. For various specific spatial configurations of cells, the linear stability theory is used to construct phase diagrams in parameter space characterizing where a switch-like emergence of intracellular oscillations can occur through a Hopf bifurcation.

  • 2 authors
·
Jul 16, 2020

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.

  • 1 authors
·
May 21

Physically Native World Models: A Hamiltonian Perspective on Generative World Modeling

World models have recently re-emerged as a central paradigm for embodied intelligence, robotics, autonomous driving, and model-based reinforcement learning. However, current world model research is often dominated by three partially separated routes: 2D video-generative models that emphasize visual future synthesis, 3D scene-centric models that emphasize spatial reconstruction, and JEPA-like latent models that emphasize abstract predictive representations. While each route has made important progress, they still struggle to provide physically reliable, action-controllable, and long-horizon stable predictions for embodied decision making. In this paper, we argue that the bottleneck of world models is no longer only whether they can generate realistic futures, but whether those futures are physically meaningful and useful for action. We propose Hamiltonian World Models as a physically grounded perspective on world modeling. The key idea is to encode observations into a structured latent phase space, evolve the latent state through Hamiltonian-inspired dynamics with control, dissipation, and residual terms, decode the predicted trajectory into future observations, and use the resulting rollouts for planning. We discuss how Hamiltonian structure may improve interpretability, data efficiency, and long-horizon stability, while also noting practical challenges in real-world robotic scenes involving friction, contact, non-conservative forces, and deformable objects.

  • 2 authors
·
Apr 30

A Topological and Operator Algebraic Framework for Asynchronous Lattice Dynamical Systems

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

  • 1 authors
·
May 14, 2025

Misrouter: Exploiting Routing Mechanisms for Input-Only Attacks on Mixture-of-Experts LLMs

Mixture-of-Experts (MoE) architectures have emerged as a leading paradigm for scaling large language models through sparse, routing-based computation. However, this design introduces a new attack surface: the routing mechanism that determines which experts process each input. Prior work shows that manipulating routing can bypass safety alignment, but existing attacks require model modification and thus apply only to locally deployed models. By contrast, real-world LLM services are remotely hosted and accessible only through input queries. This raises a fundamental question: can MoE routing be exploited through input-only attacks to induce stronger unsafe behaviors in real-world services? Our key insight is to optimize attacks in a white-box setting on open-source surrogate MoE models and transfer the resulting adversarial inputs to public API services within the same model family. This setting presents three main challenges: routing can be influenced only indirectly through input perturbations, routing control and output generation are tightly coupled, and even a successful safety bypass may still produce low-quality responses. To address these challenges, we propose Misrouter, an input-only attack framework that jointly targets routing behavior and expert functionality. Misrouter identifies weakly aligned experts that are willing to produce target harmful content by analyzing expert activations under harmful queries paired with unsafe continuations. It then optimizes adversarial inputs to steer routing toward these experts and away from strongly aligned ones. It further biases routing toward highly capable general-purpose experts identified from benign question-answering tasks. Finally, because routing and output objectives can conflict, Misrouter uses a two-phase optimization strategy that first steers routing and then optimizes harmful outputs while preserving routing stability.

  • 7 authors
·
May 5

Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training data set remains a challenge, often requiring thousands of first-principles calculations to achieve high accuracy. Foundation models have started to emerge with the ambition to create universally applicable potentials across a wide range of materials. While foundation models can be robust and transferable, they do not yet achieve the accuracy required to predict reaction barriers, phase transitions, and material stability. This work demonstrates that foundation model potentials can reach chemical accuracy when fine-tuned using transfer learning with partially frozen weights and biases. For two challenging datasets on reactive chemistry at surfaces and stability and elastic properties of tertiary alloys, we show that frozen transfer learning with 10-20% of the data (hundreds of datapoints) achieves similar accuracies to models trained from scratch (on thousands of datapoints). Moreover, we show that an equally accurate, but significantly more efficient surrogate model can be built using the transfer learned potential as the ground truth. In combination, we present a simulation workflow for machine learning potentials that improves data efficiency and computational efficiency.

  • 5 authors
·
Jul 28, 2025

Fine-tuning Flow Matching Generative Models with Intermediate Feedback

Flow-based generative models have shown remarkable success in text-to-image generation, yet fine-tuning them with intermediate feedback remains challenging, especially for continuous-time flow matching models. Most existing approaches solely learn from outcome rewards, struggling with the credit assignment problem. Alternative methods that attempt to learn a critic via direct regression on cumulative rewards often face training instabilities and model collapse in online settings. We present AC-Flow, a robust actor-critic framework that addresses these challenges through three key innovations: (1) reward shaping that provides well-normalized learning signals to enable stable intermediate value learning and gradient control, (2) a novel dual-stability mechanism that combines advantage clipping to prevent destructive policy updates with a warm-up phase that allows the critic to mature before influencing the actor, and (3) a scalable generalized critic weighting scheme that extends traditional reward-weighted methods while preserving model diversity through Wasserstein regularization. Through extensive experiments on Stable Diffusion 3, we demonstrate that AC-Flow achieves state-of-the-art performance in text-to-image alignment tasks and generalization to unseen human preference models. Our results demonstrate that even with a computationally efficient critic model, we can robustly finetune flow models without compromising generative quality, diversity, or stability.

  • 5 authors
·
Oct 20, 2025

Dynamical phase diagram of synchronization in one dimension: universal behavior from Edwards-Wilkinson to random deposition through Kardar-Parisi-Zhang

Synchronization in one dimension displays generic scale invariance with universal properties previously observed in surface kinetic roughening and the wider context of the Kardar-Parisi-Zhang (KPZ) universality class. This has been established for phase oscillators and also for some limit-cycle oscillators, both in the presence of columnar (quenched) disorder and of time-dependent noise, by extensive numerical simulations, and has been analytically motivated by continuum approximations in the strong oscillator coupling limit. The robustness and the precise boundaries in parameter space for such critical behavior remain unclear, however, which may preclude further developments, including the extension of these results to higher dimensions and the experimental observation of nonequilibrium criticality in synchronizing (e.g.~electronic or chemical) oscillators. We here present complete numerical phase diagrams of one-dimensional synchronization, including saturation times and values, but, most importantly, also dynamical features giving insight into the gradual emergence of synchronous dynamics, based on systems of phase oscillators with either type of randomness. In the absence of synchronization, the dynamics evolves as expected for random deposition (for time-dependent noise) or linear growth (for columnar disorder), while a crossover from Edwards-Wilkinson to Kardar-Parisi-Zhang behavior (with the corresponding type of randomness) is observed as the randomness strength, or the nonoddity of the coupling among oscillators, is increased in the synchronous region -- their combined effect being partially captured by the so-called KPZ coupling. The distortion of scaling due to phase slips near the desynchronization boundary, a feature that is likely to play a role in experimental contexts, is also discussed.

  • 2 authors
·
Apr 6

Unstable Features, Reproducible Subspaces: Understanding Seed Dependence in Sparse Autoencoders

Sparse autoencoders (SAEs) are widely used to interpret neural network representations, but their utility depends on whether the learned features are reproducible across training runs. We study this question through feature stability: for each SAE feature, we estimate the probability that a similar feature reappears in an independently trained SAE. This yields a scalable per-feature signal that separates stable from unstable features. In a large-scale study across seeds, models, layers, dictionary sizes, and SAE variants, we find a pronounced functional asymmetry: stable features carry most of the reconstruction- and prediction-relevant signal, while unstable features have weak marginal impact and are dominated by low-frequency surface-form triggers in both activation statistics and automatic explanations. Geometrically, unstable features are individually non-reproducible but concentrate in reproducible lower-rank subspaces, suggesting that seed dependence often reflects basis ambiguity within a shared region of activation space rather than pure noise. A controlled synthetic model makes this mechanism explicit, showing that low-rank ground-truth features can be recovered at the subspace level while remaining non-identifiable as individual SAE latents across seeds. Finally, by pooling unique cross-seed features, we construct more stable SAEs while preserving explained variance in this setting. Together, these results show that unstable features are not merely failed or noisy latents: they have weak individual functional impact, but reflect reproducible low-dimensional structure that standard SAEs resolve differently across seeds.

t-tech T-Tech
·
Jun 9 2

Transition from decaying to decayless kink oscillations of solar coronal loops

The transition of an impulsively excited kink oscillation of a solar coronal loop to an oscillation with a stationary amplitude, i.e., the damping pattern, is determined using the low-dimensional self-oscillation model. In the model, the decayless kink oscillations are sustained by the interaction of the oscillating loop with an external quasi-steady flow. The analytical solution is based on the assumption that the combined effect of the effective dissipation, for example, by resonant absorption, and interaction with an external flow, is weak. The effect is characterised by a dimensionless coupling parameter. The damping pattern is found to depend upon the initial amplitude and the coupling parameter. The approximate expression shows a good agreement with a numerical solution of the self-oscillation equation. The plausibility of the established damping pattern is demonstrated by an observational example. Notably, the damping pattern is not exponential, and the characteristic decay time is different from the time determined by the traditionally used exponential damping fit. Implications of this finding for seismology of the solar coronal plasmas are discussed. In particular, it is suggested that a very rapid, in less than the oscillation period, decay of the oscillation to the stationary level, achieved for larger values of the coupling parameter, can explain the relative rareness of the kink oscillation events.

  • 3 authors
·
Jun 10, 2024

PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation

In this work, we introduce PhononBench, the first large-scale benchmark for dynamical stability in AI-generated crystals. Leveraging the recently developed MatterSim interatomic potential, which achieves DFT-level accuracy in phonon predictions across more than 10,000 materials, PhononBench enables efficient large-scale phonon calculations and dynamical-stability analysis for 108,843 crystal structures generated by six leading crystal generation models. PhononBench reveals a widespread limitation of current generative models in ensuring dynamical stability: the average dynamical-stability rate across all generated structures is only 25.83%, with the top-performing model, MatterGen, reaching just 41.0%. Further case studies show that in property-targeted generation-illustrated here by band-gap conditioning with MatterGen--the dynamical-stability rate remains as low as 23.5% even at the optimal band-gap condition of 0.5 eV. In space-group-controlled generation, higher-symmetry crystals exhibit better stability (e.g., cubic systems achieve rates up to 49.2%), yet the average stability across all controlled generations is still only 34.4%. An important additional outcome of this study is the identification of 28,119 crystal structures that are phonon-stable across the entire Brillouin zone, providing a substantial pool of reliable candidates for future materials exploration. By establishing the first large-scale dynamical-stability benchmark, this work systematically highlights the current limitations of crystal generation models and offers essential evaluation criteria and guidance for their future development toward the design and discovery of physically viable materials. All model-generated crystal structures, phonon calculation results, and the high-throughput evaluation workflows developed in PhononBench will be openly released at https://github.com/xqh19970407/PhononBench

"I May Not Have Articulated Myself Clearly": Diagnosing Dynamic Instability in LLM Reasoning at Inference Time

Reasoning failures in large language models (LLMs) are typically measured only at the end of a generation, yet many failures manifest as a process-level breakdown: the model "loses the thread" mid-reasoning. We study whether such breakdowns are detectable from inference-time observables available in standard APIs (token log probabilities), without any training or fine-tuning. We define a simple instability signal that combines consecutive-step distributional shift (JSD) and uncertainty (entropy), summarize each trace by its peak instability strength, and show that this signal reliably predicts failure. Across GSM8K and HotpotQA, instability strength predicts wrong answers with above-chance AUC and yields monotonic bucket-level accuracy decline at scale across model sizes. Crucially, we show that instability is not uniformly harmful: early instability can reflect subsequent stabilization and a correct final answer (corrective instability), whereas late instability is more often followed by failure (destructive instability), even at comparable peak magnitudes, indicating that recoverability depends not only on how strongly the distribution changes but also on when such changes occur relative to the remaining decoding horizon. The method is model-agnostic, training-free, and reproducible, and is presented as a diagnostic lens rather than a corrective or control mechanism.

  • 4 authors
·
Feb 2 3

A Comprehensive Perturbative Formalism for Phase Mixing in Perturbed Disks. II. Phase Spirals in an Inhomogeneous Disk Galaxy with a Non-responsive Dark Matter Halo

We develop a linear perturbative formalism to compute the response of an inhomogeneous stellar disk embedded in a non-responsive dark matter halo to perturbations like bars, spiral arms and satellite galaxy encounters. Without self-gravity to reinforce it, the response of a Fourier mode phase mixes away due to an intrinsic spread in the vertical (Omega_z), radial (Omega_r) and azimuthal (Omega_phi) frequencies, giving rise to local phase-space spirals. Collisional diffusion due to scattering of stars by structures like giant molecular clouds causes super-exponential damping of the phase-spiral amplitude. The z-v_z phase-spiral is 1-armed (2-armed) for vertically anti-symmetric (symmetric) bending (breathing) modes. Only transient perturbations with timescales (tau_{P}) comparable to the vertical oscillation period (tau_z sim 1/Omega_z) trigger z-v_z phase-spirals. Each (n,l,m) mode of the response to impulsive (tau_{P}<tau=1/(nOmega_z+lOmega_r+mOmega_phi)) perturbations is power law (sim tau_{P}/tau) suppressed, but that to adiabatic (tau_{P}>tau) perturbations is exponentially weak (sim left[-left(tau_{mathrm{P}/tauright)^alpharight]}) except resonant (tauto infty) modes. Slower (tau_{P}>tau_z) perturbations, e.g., distant encounters with satellite galaxies, induce stronger bending modes. If the Gaia phase-spiral was triggered by a satellite, Sagittarius is the leading contender as it dominates the Solar neighborhood response of the Milky Way disk to satellite encounters. However, survival against collisional damping necessitates that the impact occurred within sim 0.6-0.7 Gyr ago. We discuss how the detailed galactic potential dictates the phase-spiral shape: phase mixing occurs slower and phase-spirals are less wound in the outer disk and in presence of an ambient halo.

  • 3 authors
·
Feb 28, 2023

Stability of Superconducting Strings

We investigate the stability of superconducting strings as bound states of strings and fermion zero modes at both the classical and quantum levels. The dynamics of these superconducting strings can result in a stable configuration, known as a vorton. We mainly focus on global strings, but the majority of the discussion can be applied to local strings. Using lattice simulations, we study the classical dynamics of superconducting strings and confirm that they relax to the vorton configuration through Nambu-Goldstone boson radiation, with no evidence of over-shooting that would destabilize the vorton. We explore the tunneling of fermion zero modes out of the strings. Both our classical analysis and quantum calculations yield consistent results: the maximum energy of the zero mode significantly exceeds the fermion mass, in contrast to previous literature. Additionally, we introduce a world-sheet formalism to evaluate the decay rate of zero modes into other particles, which constitute the dominant decay channel. We also identify additional processes that trigger zero-mode decay due to non-adiabatic changes of the string configuration. In these decay processes, the rates are suppressed by the curvature of string loops, with exponential suppression for large masses of the final states. We further study the scattering with light charged particles surrounding the string core produced by the zero-mode current and find that a wide zero-mode wavefunction can enhance vorton stability.

  • 4 authors
·
Dec 16, 2024

Global Rotation Equivariant Phase Modeling for Speech Enhancement with Deep Magnitude-Phase Interaction

While deep learning has advanced speech enhancement (SE), effective phase modeling remains challenging, as conventional networks typically operate within a flat Euclidean feature space, which is not easy to model the underlying circular topology of the phase. To address this, we propose a manifold-aware magnitude-phase dual-stream framework that aligns the phase stream with its intrinsic circular geometry by enforcing Global Rotation Equivariance (GRE) characteristic. Specifically, we introduce a Magnitude-Phase Interactive Convolutional Module (MPICM) for modulus-based information exchange and a Hybrid-Attention Dual-FFN (HADF) bottleneck for unified feature fusion, both of which are designed to preserve GRE in the phase stream. Comprehensive evaluations are conducted across phase retrieval, denoising, dereverberation, and bandwidth extension tasks to validate the superiority of the proposed method over multiple advanced baselines. Notably, the proposed architecture reduces Phase Distance by over 20\% in the phase retrieval task and improves PESQ by more than 0.1 in zero-shot cross-corpus denoising evaluations. The overall superiority is also established in universal SE tasks involving mixed distortions. Qualitative analysis further reveals that the learned phase features exhibit distinct periodic patterns, which are consistent with the intrinsic circular nature of the phase. The source code is available at https://github.com/wangchengzhong/RENet.

  • 4 authors
·
Feb 9

Preliminary sonification of ENSO using traditional Javanese gamelan scales

Sonification -- the mapping of data to non-speech audio -- offers an underexplored channel for representing complex dynamical systems. We treat El Niño-Southern Oscillation (ENSO), a canonical example of low-dimensional climate chaos, as a test case for culturally-situated sonification evaluated through complex systems diagnostics. Using parameter-mapping sonification of the Niño 3.4 sea surface temperature anomaly index (1870--2024), we encode ENSO variability into two traditional Javanese gamelan pentatonic systems (pelog and slendro) across four composition strategies, then analyze the resulting audio as trajectories in a two-dimensional acoustic phase space. Recurrence-based diagnostics, convex hull geometry, and coupling analysis reveal that the sonification pipeline preserves key dynamical signatures: alternating modes produce the highest trajectory recurrence rates, echoing ENSO's quasi-periodicity; layered polyphonic modes explore the broadest phase space regions; and the two scale families induce qualitatively distinct coupling regimes between spectral brightness and energy -- predominantly anti-phase in pelog but near-independent in slendro. Phase space trajectory analysis provides a rigorous geometric framework for comparing sonification designs within a complex systems context. Perceptual validation remains necessary; we contribute the dynamical systems methodology for evaluating such mappings.

Geometric coherence of single-cell CRISPR perturbations reveals regulatory architecture and predicts cellular stress

Genome engineering has achieved remarkable sequence-level precision, yet predicting the transcriptomic state that a cell will occupy after perturbation remains an open problem. Single-cell CRISPR screens measure how far cells move from their unperturbed state, but this effect magnitude ignores a fundamental question: do the cells move together? Two perturbations with identical magnitude can produce qualitatively different outcomes if one drives cells coherently along a shared trajectory while the other scatters them across expression space. We introduce a geometric stability metric, Shesha, that quantifies the directional coherence of single-cell perturbation responses as the mean cosine similarity between individual cell shift vectors and the mean perturbation direction. Across five CRISPR datasets (2,200+ perturbations spanning CRISPRa, CRISPRi, and pooled screens), stability correlates strongly with effect magnitude (Spearman ρ=0.75-0.97), with a calibrated cross-dataset correlation of 0.97. Crucially, discordant cases where the two metrics decouple expose regulatory architecture: pleiotropic master regulators such as CEBPA and GATA1 pay a "geometric tax," producing large but incoherent shifts, while lineage-specific factors such as KLF1 produce tightly coordinated responses. After controlling for magnitude, geometric instability is independently associated with elevated chaperone activation (HSPA5/BiP; ρ_{partial}=-0.34 and -0.21 across datasets), and the high-stability/high-stress quadrant is systematically depleted. The magnitude-stability relationship persists in scGPT foundation model embeddings, confirming it is a property of biological state space rather than linear projection. Perturbation stability provides a complementary axis for hit prioritization in screens, phenotypic quality control in cell manufacturing, and evaluation of in silico perturbation predictions.

  • 1 authors
·
Apr 16 2

M^3-VOS: Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation

Intelligent robots need to interact with diverse objects across various environments. The appearance and state of objects frequently undergo complex transformations depending on the object properties, e.g., phase transitions. However, in the vision community, segmenting dynamic objects with phase transitions is overlooked. In light of this, we introduce the concept of phase in segmentation, which categorizes real-world objects based on their visual characteristics and potential morphological and appearance changes. Then, we present a new benchmark, Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation (M^3-VOS), to verify the ability of models to understand object phases, which consists of 479 high-resolution videos spanning over 10 distinct everyday scenarios. It provides dense instance mask annotations that capture both object phases and their transitions. We evaluate state-of-the-art methods on M^3-VOS, yielding several key insights. Notably, current appearance-based approaches show significant room for improvement when handling objects with phase transitions. The inherent changes in disorder suggest that the predictive performance of the forward entropy-increasing process can be improved through a reverse entropy-reducing process. These findings lead us to propose ReVOS, a new plug-andplay model that improves its performance by reversal refinement. Our data and code will be publicly available at https://zixuan-chen.github.io/M-cube-VOS.github.io/.

  • 7 authors
·
Dec 18, 2024

Delayed Repression and Emergent Instability in Adaptive Multi-Agent Systems

Regulatory institutions (from content moderation platforms to financial supervisors) observe, deliberate, and intervene only after a characteristic delay. We ask whether this processing lag alone can destabilize a multi-agent system that would otherwise remain stable, without exogenous shocks, coordination among agents, or malicious actors. We study this question in two stages. First, we analyze a delayed replicator equation in which autonomous agents receive a benefit from radical behavior but face punishment based on a lagged institutional alarm signal. We derive a closed-form critical delay threshold beyond which the unique interior equilibrium loses stability through a Hopf bifurcation, and prove via center manifold reduction that the bifurcation is supercritical (producing bounded oscillations, not explosive growth) for the entire sigmoid response-function family. Second, we embed N=240 agents on a network and equip them with reinforcement learning (tabular Q-learning), comparing three decision architectures in a factorial design: non-reactive agents (fixed policy), reactive agents (threshold heuristic without memory), and Q-learning agents (adaptive with cumulative value estimates). The results reveal a hierarchy opposite to the naive expectation that learning amplifies instability: non-reactive agents are immune to delay (0% runaway across all tested values), reactive agents collapse catastrophically (96% runaway by delay geq 8 steps), and Q-learning agents achieve partial resilience (66% runaway at delay = 20). The destabilizing ingredient is reactivity to delayed signals: agents that immediately exploit low-alarm windows trigger oscillatory feedback loops. Learning buffers this through implicit punishment memory encoded in Q-values

  • 1 authors
·
May 27

Ergotropy and Capacity Optimization in Heisenberg Spin Chain Quantum Batteries

This study examines the performance of finite spin quantum batteries (QBs) using Heisenberg spin models with Dzyaloshinsky-Moriya (DM) and Kaplan--Shekhtman--Entin-Wohlman--Aharony (KSEA) interactions. The QBs are modeled as interacting quantum spins in local inhomogeneous magnetic fields, inducing variable Zeeman splitting. We derive analytical expressions for the maximal extractable work, ergotropy and the capacity of QBs, as recently examined by Yang et al. [Phys. Rev. Lett. 131, 030402 (2023)]. These quantities are analytically linked through certain quantum correlations, as posited in the aforementioned study. Different Heisenberg spin chain models exhibit distinct behaviors under varying conditions, emphasizing the importance of model selection for optimizing QB performance. In antiferromagnetic (AFM) systems, maximum ergotropy occurs with a Zeeman splitting field applied to either spin, while ferromagnetic (FM) systems benefit from a uniform Zeeman field. Temperature significantly impacts QB performance, with ergotropy in the AFM case being generally more robust against temperature increases compared to the FM case. Incorporating DM and KSEA couplings can significantly enhance the capacity and ergotropy extraction of QBs. However, there exists a threshold beyond which additional increases in these interactions cause a sharp decline in capacity and ergotropy. This behavior is influenced by temperature and quantum coherence, which signal the occurrence of a sudden phase transition. The resource theory of quantum coherence proposed by Baumgratz et al. [Phys. Rev. Lett. 113, 140401 (2014)] plays a crucial role in enhancing ergotropy and capacity. However, ergotropy is limited by both the system's capacity and the amount of coherence. These findings support the theoretical framework of spin-based QBs and may benefit future research on quantum energy storage devices.

  • 8 authors
·
Jul 31, 2024

Higgs-Induced Gravitational Waves: the Interplay of Non-Minimal Couplings, Kination and Top Quark Mass

We explore a minimal scenario where the sole Standard-Model Higgs is responsible for reheating the Universe after inflation, produces a significant background of gravitational waves and maintains the full classical stability of the electroweak vacuum. As the Higgs self-coupling runs toward negative values at high energy scales, a non-minimal interaction with curvature during a stiff background expansion era drives the Higgs fluctuations closer to the instability scale. This curvature-induced tachyonic instability leads to an intense production of Higgs particles, accompanied by a stochastic gravitational-wave background. The characteristic features of such signal can be directly correlated to the inflationary scale, the non-minimal coupling parameter and the top quark Yukawa coupling. We distinguish between three possible scenarios: absolute stability with low top quark masses, potential vacuum instability, and absolute stability with new physics above the instability scale. Our findings suggest that the detection of a peaked background of gravitational waves together with its inflationary tail has the potential to unveil the features of the Higgs effective potential at very high energy scales while providing a minimal explanation for the reheating phase and the emergence of the Standard-Model plasma in the early Universe. Unlike other studies in the literature, the generation of gravitational waves in our scenario does not depend on the quantum instability of the Standard Model vacuum.

  • 2 authors
·
Feb 6, 2025

Matbench Discovery -- An evaluation framework for machine learning crystal stability prediction

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

  • 6 authors
·
Aug 28, 2023

Tides on Lava Worlds: Application to Close-in Exoplanets and the Early Earth-Moon System

Understanding the physics of planetary magma oceans has been the subject of growing efforts, in light of the increasing abundance of Solar system samples and extrasolar surveys. A rocky planet harboring such an ocean is likely to interact tidally with its host star, planetary companions, or satellites. To date, however, models of the tidal response and heat generation of magma oceans have been restricted to the framework of weakly viscous solids, ignoring the dynamical fluid behavior of the ocean beyond a critical melt fraction. Here we provide a handy analytical model that accommodates this phase transition, allowing for a physical estimation of the tidal response of lava worlds. We apply the model in two settings: The tidal history of the early Earth-Moon system in the aftermath of the giant impact; and the tidal interplay between short-period exoplanets and their host stars. For the former, we show that the fluid behavior of the Earth's molten surface drives efficient early Lunar recession to {sim} 25 Earth radii within 10^4{-} 10^5 years, in contrast with earlier predictions. For close-in exoplanets, we report on how their molten surfaces significantly change their spin-orbit dynamics, allowing them to evade spin-orbit resonances and accelerating their track towards tidal synchronization from a Gyr to Myr timescale. Moreover, we re-evaluate the energy budgets of detected close-in exoplanets, highlighting how the surface thermodynamics of these planets are likely controlled by enhanced, fluid-driven tidal heating, rather than vigorous insolation, and how this regime change substantially alters predictions for their surface temperatures.

  • 5 authors
·
Dec 10, 2024

Observing the Rosensweig instability of a quantum ferrofluid

Ferrofluids show unusual hydrodynamic effects due to the magnetic nature of their constituents. For increasing magnetization a classical ferrofluid undergoes a Rosensweig instability and creates self-organized ordered surface structures or droplet crystals. A Bose-Einstein condensate with strong dipolar interactions is a quantum ferrofluid that also shows superfluidity. The field of dipolar quantum gases is motivated by the search for new phases that break continuous symmetries. The simultaneous breaking of continuous symmetries like the phase invariance for the superfluid state and the translational symmetry for a crystal provides the basis of novel states of matter. However, interaction-induced crystallization in a superfluid has not been observed. Here we use in situ imaging to directly observe the spontaneous transition from an unstructured superfluid to an ordered arrangement of droplets in an atomic dysprosium Bose-Einstein condensate. By utilizing a Feshbach resonance to control the interparticle interactions, we induce a finite-wavelength instability and observe discrete droplets in a triangular structure, growing with increasing atom number. We find that these states are surprisingly long-lived and measure a hysteretic behaviour, which is typical for a crystallization process and in close analogy to the Rosensweig instability. Our system can show both superfluidity and, as shown here, spontaneous translational symmetry breaking. The presented observations do not probe superfluidity in the structured states, but if the droplets establish a common phase via weak links, this system is a very good candidate for a supersolid ground state.

  • 7 authors
·
Aug 20, 2015

Geometric Stability: The Missing Axis of Representations

Analysis of learned representations has a blind spot: it focuses on similarity, measuring how closely embeddings align with external references, but similarity reveals only what is represented, not whether that structure is robust. We introduce geometric stability, a distinct dimension that quantifies how reliably representational geometry holds under perturbation, and present Shesha, a framework for measuring it. Across 2,463 configurations in seven domains, we show that stability and similarity are empirically uncorrelated (ρapprox 0.01) and mechanistically distinct: similarity metrics collapse after removing the top principal components, while stability retains sensitivity to fine-grained manifold structure. This distinction yields actionable insights: for safety monitoring, stability acts as a functional geometric canary, detecting structural drift nearly 2times more sensitively than CKA while filtering out the non-functional noise that triggers false alarms in rigid distance metrics; for controllability, supervised stability predicts linear steerability (ρ= 0.89-0.96); for model selection, stability dissociates from transferability, revealing a geometric tax that transfer optimization incurs. Beyond machine learning, stability predicts CRISPR perturbation coherence and neural-behavioral coupling. By quantifying how reliably systems maintain structure, geometric stability provides a necessary complement to similarity for auditing representations across biological and computational systems.

  • 1 authors
·
Jan 14 2

NeuralRemaster: Phase-Preserving Diffusion for Structure-Aligned Generation

Standard diffusion corrupts data using Gaussian noise whose Fourier coefficients have random magnitudes and random phases. While effective for unconditional or text-to-image generation, corrupting phase components destroys spatial structure, making it ill-suited for tasks requiring geometric consistency, such as re-rendering, simulation enhancement, and image-to-image translation. We introduce Phase-Preserving Diffusion φ-PD, a model-agnostic reformulation of the diffusion process that preserves input phase while randomizing magnitude, enabling structure-aligned generation without architectural changes or additional parameters. We further propose Frequency-Selective Structured (FSS) noise, which provides continuous control over structural rigidity via a single frequency-cutoff parameter. φ-PD adds no inference-time cost and is compatible with any diffusion model for images or videos. Across photorealistic and stylized re-rendering, as well as sim-to-real enhancement for driving planners, φ-PD produces controllable, spatially aligned results. When applied to the CARLA simulator, φ-PD improves CARLA-to-Waymo planner performance by 50\%. The method is complementary to existing conditioning approaches and broadly applicable to image-to-image and video-to-video generation. Videos, additional examples, and code are available on our https://yuzeng-at-tri.github.io/ppd-page/{project page}.

  • 6 authors
·
Dec 4, 2025 2

On the Mechanism and Dynamics of Modular Addition: Fourier Features, Lottery Ticket, and Grokking

We present a comprehensive analysis of how two-layer neural networks learn features to solve the modular addition task. Our work provides a full mechanistic interpretation of the learned model and a theoretical explanation of its training dynamics. While prior work has identified that individual neurons learn single-frequency Fourier features and phase alignment, it does not fully explain how these features combine into a global solution. We bridge this gap by formalizing a diversification condition that emerges during training when overparametrized, consisting of two parts: phase symmetry and frequency diversification. We prove that these properties allow the network to collectively approximate a flawed indicator function on the correct logic for the modular addition task. While individual neurons produce noisy signals, the phase symmetry enables a majority-voting scheme that cancels out noise, allowing the network to robustly identify the correct sum. Furthermore, we explain the emergence of these features under random initialization via a lottery ticket mechanism. Our gradient flow analysis proves that frequencies compete within each neuron, with the "winner" determined by its initial spectral magnitude and phase alignment. From a technical standpoint, we provide a rigorous characterization of the layer-wise phase coupling dynamics and formalize the competitive landscape using the ODE comparison lemma. Finally, we use these insights to demystify grokking, characterizing it as a three-stage process involving memorization followed by two generalization phases, driven by the competition between loss minimization and weight decay.

Interplay between thermal and compositional gradients decides the microstructure during thermomigration: a phase-field study

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.

  • 4 authors
·
Jun 2, 2024

Crystal Diffusion Variational Autoencoder for Periodic Material Generation

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

  • 5 authors
·
Oct 12, 2021

Small-scale proxies for large-scale Transformer training instabilities

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

  • 16 authors
·
Sep 25, 2023 2

Effect of glass stability on the low frequency vibrations of vapor deposited glasses

Ultra-stable glasses prepared from the physical vapor deposition of organic molecules present a very low density of two-level states, the kind of glass defects that determine their peculiar low temperature thermal properties. Numerical simulations suggest that quasi-localized harmonic vibrational modes emerge in the soft regions associated with two-level states. However, the connection between the low frequency vibrational modes and the local structural instabilities of glasses remains unexplained. Here we exploit a recently developed spectrograph for nuclear resonant analysis of inelastic X-ray scattering to probe the density of vibrational states of amorphous thin films of ultra-stable and conventional glasses down to an exceptionally low frequency of sim 70 GHz. We show that the glass stability does not affect the harmonic vibrational modes at the lowest frequencies, despite a reduction of almost an order of magnitude in the density of two-level states. At the same time, the vibrational modes at higher frequencies, around the boson peak maximum, are extremely sensitive to the glass stability. Although we cannot exclude the possible existence of quasi-localized modes in glasses, we show that their presence is not strictly necessary to describe the measured density of low frequency vibrations. The experimental developments here presented pave the way to the solution to the long-standing debate on the low frequency vibrations in glasses.

  • 11 authors
·
Feb 24

Composite stacks for reliable > 17 T trapped fields in bulk superconductor magnets

Trapped fields of over 20 T are, in principle, achievable in bulk, single-grain high temperature cuprate superconductors. The principle barriers to realizing such performance are, firstly, the large tensile stresses that develop during the magnetization of such trapped-field magnets as a result of the Lorentz force, which lead to brittle fracture of these ceramic-like materials at high fields and, secondly, catastrophic thermal instabilities as a result of flux movement during magnetization. Moreover, for a batch of samples nominally fabricated identically, the statistical nature of the failure mechanism means the best performance (i.e. trapped fields of over 17 T) cannot be attained reliably. The magnetization process, particularly to higher fields, also often damages the samples such that they cannot repeatedly trap high fields following subsequent magnetization. In this study, we report the sequential trapping of magnetic fields of ~ 17 T, achieving 16.8 T at 26 K initially and 17.6 T at 22.5 K subsequently, in a stack of two Ag-doped GdBa2Cu3O7-δ bulk superconductor composites of diameter 24 mm reinforced with (1) stainless-steel laminations, and (2) shrink-fit stainless steel rings. A trapped field of 17.6 T is, in fact, comparable with the highest trapped fields reported to date for bulk superconducting magnets of any mechanical and chemical composition, and this was achieved using the first composite stack to be fabricated by this technique.

  • 13 authors
·
Aug 22, 2019

Lying Is Just a Phase: The Hidden Alignment Transition in Language Model Scaling

Scaling laws predict loss from compute but not how capabilities interact. We measure the coupling between reasoning and truthfulness across 63 base models from 16 families and find a regime change invisible to loss curves: below a family-dependent critical scale N_c, capabilities anticorrelate; above it, they cooperate. N_c approx 3.5B parameters [2.9B, 13.4B] (bootstrap 95% CI), but model size is not the only variable that determines phase. Architecture, data curation, and training recipe each shift N_c independently: curated training eliminated the coupling dip between Qwen generations (0.025 to 0.830 at matched scale), Gemma-4 at 4B achieves coupling 0.871, characteristic of 13B+ standard-trained models, through distillation and architectural innovation, and Phi at 1B matches web-trained coupling at 10B through data curation alone. Width normalization eliminates the anticorrelation across all tested families, supporting an output-projection bottleneck. Internally, 38 of 40 models show zero competing attention heads. A sparse-regression ODE cross-predicts held-out Llama-2 at 5.6% error. The diagnostic requires no model internals -- only public benchmark scores across a model family. The cooperative regime extends to the frontier (r = +0.72, 34 models, 10 labs). Code, data, and an open-source activation-steering tool for any open-weight model are released alongside an interactive dashboard that diagnoses any model's coupling phase, suggests concrete interventions (data curation, width, benchmark rotation), and provides ODE scaling predictions, frontier diagnostics, and eigenstructure analysis: https://zehenlabs.com/cape/.

  • 1 authors
·
May 12

From Syntax to Semantics: Geometric Stability as the Missing Axis of Perturbation Biology

The capacity to precisely edit genomes has outpaced our ability to predict the consequences. A cell can be genetically perfect and therapeutically useless: edited exactly as intended, yet unstable, drifting toward unintended fates, or selected for properties that compromise safety. This paradox reflects a deeper gap in how we evaluate biological intervention. Current frameworks excel at measuring what was done to a cell but remain blind to what the cell has become. We argue that this blindness stems from treating cells as collections of independent variables rather than as dynamical systems occupying positions on high-dimensional state manifolds. Drawing on Waddington's epigenetic landscape, we propose geometric stability as a missing axis of evaluation: the directional coherence of cellular responses to perturbation. This metric distinguishes interventions that guide cells coherently toward stable states from those that scatter them across the state manifold. Validation across diverse perturbation datasets reveals that geometric stability captures regulatory architecture invisible to conventional metrics, discriminating pleiotropic master regulators from lineage-specific factors without prior biological annotation. As precision medicine increasingly relies on cellular reprogramming, the question shifts from ``did the intervention occur?'' to ``is the resulting state stable?'' Geometric stability provides a framework for answering.

  • 1 authors
·
Apr 24

SPRMamba: Surgical Phase Recognition for Endoscopic Submucosal Dissection with Mamba

Endoscopic Submucosal Dissection (ESD) is a minimally invasive procedure initially developed for early gastric cancer treatment and has expanded to address diverse gastrointestinal lesions. While computer-assisted surgery (CAS) systems enhance ESD precision and safety, their efficacy hinges on accurate real-time surgical phase recognition, a task complicated by ESD's inherent complexity, including heterogeneous lesion characteristics and dynamic tissue interactions. Existing video-based phase recognition algorithms, constrained by inefficient temporal context modeling, exhibit limited performance in capturing fine-grained phase transitions and long-range dependencies. To overcome these limitations, we propose SPRMamba, a novel framework integrating a Mamba-based architecture with a Scaled Residual TranMamba (SRTM) block to synergize long-term temporal modeling and localized detail extraction. SPRMamba further introduces the Hierarchical Sampling Strategy to optimize computational efficiency, enabling real-time processing critical for clinical deployment. Evaluated on the ESD385 dataset and the cholecystectomy benchmark Cholec80, SPRMamba achieves state-of-the-art performance (87.64% accuracy on ESD385, +1.0% over prior methods), demonstrating robust generalizability across surgical workflows. This advancement bridges the gap between computational efficiency and temporal sensitivity, offering a transformative tool for intraoperative guidance and skill assessment in ESD surgery. The code is accessible at https://github.com/Zxnyyyyy/SPRMamba.

  • 8 authors
·
Sep 18, 2024

Scalable and Efficient Continual Learning from Demonstration via a Hypernetwork-generated Stable Dynamics Model

Robots capable of learning from demonstration (LfD) must exhibit stability while executing learned motion skills. To be effective in the real world, they should also remember multiple skills over time -- a capability lacking in current stable-LfD methods. We propose an approach to stable, continual LfD, and highlight the role of stability in improving continual learning. Our proposed hypernetwork generates the parameters of two neural networks: a trajectory learning dynamics model, and a trajectory-stabilizing Lyapunov function. These generated networks form a clock-augmented stable neural ODE solver (sNODE), a stable dynamics model that offers a superior stability-accuracy trade-off compared to the state-of-the-art. We further propose stochastic hypernetwork regularization with a single, uniformly-sampled task embedding, reducing the cumulative training time for N tasks from O(N^2) to O(N) without degrading performance on real-world tasks. We introduce high-dimensional variants of the popular LASA dataset to assess scalability and extend a dataset of robotic LfD tasks to assess real-world performance. We empirically evaluate our approach on multiple LfD datasets of varying complexity, including sequences of 7--26 tasks, trajectories of 2--32 dimensions, and real-world tasks involving position and orientation. Our thorough evaluation on multiple LfD datasets demonstrates that our approach sequentially learns and retains multiple motion skills without retraining on past demonstrations, and outperforms other relevant baselines in terms of trajectory errors, continual learning scores, and stability metrics. Notably, we show that stability greatly enhances continual learning performance, particularly in size-efficient chunked hypernetworks. Our code is available at https://github.com/sayantanauddy/clfd-snode.

  • 5 authors
·
May 10