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Jan 30

Deep learning probability flows and entropy production rates in active matter

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

  • 2 authors
·
Sep 22, 2023

Single-shot thermometry of simulated Bose--Einstein condensates using artificial intelligence

Precise determination of thermodynamic parameters in ultracold Bose gases remains challenging due to the destructive nature of conventional measurement techniques and inherent experimental uncertainties. We demonstrate an artificial intelligence approach for rapid, non-destructive estimation of the chemical potential and temperature from single-shot, in situ imaged density profiles of finite-temperature Bose gases. Our convolutional neural network is trained exclusively on quasi-2D `pancake' condensates in harmonic trap configurations. It achieves parameter extraction within fractions of a second. The model also demonstrates zero-shot generalisation across both trap geometry and thermalisation dynamics, successfully estimating thermodynamic parameters for toroidally trapped condensates with errors of only a few nanokelvin despite no prior exposure to such geometries during training, and maintaining predictive accuracy during dynamic thermalisation processes after a relatively brief evolution without explicit training on non-equilibrium states. These results suggest that supervised learning can overcome traditional limitations in ultracold atom thermometry, with extension to broader geometric configurations, temperature ranges, and additional parameters potentially enabling comprehensive real-time analysis of quantum gas experiments. Such capabilities could significantly streamline experimental workflows whilst improving measurement precision across a range of quantum fluid systems.

  • 3 authors
·
Jun 20, 2025

Information Theory and Statistical Mechanics Revisited

The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the path set out by Jaynes, including elements added subsequently to that original work, to explore the consequences of the purely statistical point of view. We show how standard methods in the equilibrium theory could have been derived simply from a description of the available problem information. In addition, our presentation leads to novel insights into questions associated with symmetry and non-equilibrium statistical mechanics. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a quantity related to the thermodynamic entropy production is found by considering information loss in non-equilibrium processes. Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complexity by successively adding information to create progressively more complex descriptions of a physical system. Our result is that such statistical mechanical descriptions can be used to create transparent, computable, experimentally-relevant models that may be informed by more detailed atomistic simulations. We also derive a theory for the kinetic behavior of this system, identifying the nonequilibrium `process' free energy functional. The Gibbs relation for this functional is a fluctuation-dissipation theorem applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient driving forces. Based on this work, it is clear that statistical mechanics is a general tool for constructing the relationships between constraints on system information.

  • 3 authors
·
May 27, 2011

Statistical mechanics of continual learning: variational principle and mean-field potential

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

  • 4 authors
·
Dec 6, 2022

What Drives Cluster Cool-Core Transformations? A Population Level Analysis of TNG-Cluster

In this study, we examine the frequency and physical drivers of transformations from cool-core (CC) to non-cool-core (NCC) clusters, and vice versa, in a sample of 352 massive galaxy clusters (M_vir = 10^14-15.3 M_sun) from the TNG-Cluster magnetohydrodynamical cosmological simulation of galaxies. By identifying transformations based on the evolution of central entropy and focusing on z<2.5, we find that clusters frequently undergo such events, depending on their assembly and supermassive black hole histories. On average, clusters experience 2 to 3 transformations. Transformations can occur in both directions and can be temporary, but those to higher entropy cores, i.e. in the direction from CC to NCC states, are the vast majority. CC phases are shorter than NCC phases, and thus overall the TNG-Cluster population forms with low-entropy cores and moves towards NCC states with time. We study the role that mergers play in driving transformations, and find that mergers within ~1Gyr prior to a transformation toward higher (but not lower) entropy cores occur statistically more often than in a random control sample. Most importantly, we find examples of mergers associated with CC disruption regardless of their mass ratio or angular momentum. However, past merger activity is not a good predictor for z=0 CC status, at least based on core entropy, even though clusters undergoing more mergers eventually have the highest core entropy values at z=0. We consider the interplay between AGN feedback and evolving cluster core thermodynamics. We find that core transformations are accompanied by an increase in AGN activity, whereby frequent and repeated (kinetic) energy injections from the central SMBHs can produce a collective, long-term impact on central entropy, ultimately heating cluster cores. Whether such fast-paced periods of AGN activity are triggered by mergers is plausible, but not necessary.

  • 3 authors
·
Mar 3, 2025

Addressing the core-cusp and diversity problem of dwarf and disk galaxies using cold collisionless DARKexp theory

Observed dwarf galaxies tend to have linearly rising rotation curves, which indicate flat density cores in their centers. Furthermore, disk galaxies show a wide range of rotation curves shapes. High resolution simulations of cold collisionless dark matter do not reproduce flat central profiles, or the observed diversity of rotation curve shapes; even hydrodynamic simulations incorporating baryonic feedback cannot do that robustly. However, numerical simulations are not the only way to make predictions about density profiles of equilibrium dark matter halos. A theoretical model based on statistical mechanics shows that maximum entropy solutions for cold collisionless self-gravitating dark matter halos can have a range of inner density profiles, including flat density cores. These theoretical profiles, called DARKexp, have only one shape parameter, and are able to fit the observed rotation curves of galaxies with last measured velocities in the range ~20-200 km/s. Here we present fits to 96 SPARC catalog galaxies, and the Milky Way. DARKexp also provides good fits to the projected stellar density distributions of ultrafaint dwarfs that show cores, suggesting that the dark matter halo hosts could have flat density cores. Thus, DARKexp appears to be able to address the core-cusp problem and the diversity of rotation curves with cold collisionless dark matter alone, without baryonic feedback.

  • 3 authors
·
Feb 21, 2025

Rethinking Entropy Interventions in RLVR: An Entropy Change Perspective

While Reinforcement Learning with Verifiable Rewards (RLVR) can enhance LLM reasoning, its training process poses a critical risk: entropy collapse. This phenomenon is a rapid loss of policy diversity, stemming from the exploration-exploitation imbalance and leading to a lack of generalization. Recent entropy-intervention methods aim to prevent entropy collapse, yet their underlying mechanisms remain unclear. In this paper, we conduct a quantitative analysis to reveal token-level entropy changes and how existing entropy intervention methods help avoid entropy collapse. Our findings point out a fundamental limitation of existing methods: they attempt to control entropy dynamics indirectly. By only affecting related factors, such as the advantage signal and generation probability, their effectiveness is inherently limited and could potentially fail. To address this limitation, we introduce an entropy-change-aware reweighting scheme, namely Stabilizing Token-level Entropy-changE via Reweighting (STEER), that adaptively stabilizes entropy dynamics through fine-grained token-level adjustments. Our approach mitigates over-exploitation while fostering robust exploration. Extensive experiments demonstrate that STEER significantly mitigates entropy collapse, stabilizes entropy dynamics, and achieves stronger downstream performance across various mathematical reasoning benchmarks \footnote{Our code is available at https://github.com/zz-haooo/STEER.

  • 9 authors
·
Oct 11, 2025

From Entropy to Epiplexity: Rethinking Information for Computationally Bounded Intelligence

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

  • 6 authors
·
Jan 6

ZeRO: Memory Optimizations Toward Training Trillion Parameter Models

Large deep learning models offer significant accuracy gains, but training billions to trillions of parameters is challenging. Existing solutions such as data and model parallelisms exhibit fundamental limitations to fit these models into limited device memory, while obtaining computation, communication and development efficiency. We develop a novel solution, Zero Redundancy Optimizer (ZeRO), to optimize memory, vastly improving training speed while increasing the model size that can be efficiently trained. ZeRO eliminates memory redundancies in data- and model-parallel training while retaining low communication volume and high computational granularity, allowing us to scale the model size proportional to the number of devices with sustained high efficiency. Our analysis on memory requirements and communication volume demonstrates: ZeRO has the potential to scale beyond 1 Trillion parameters using today's hardware. We implement and evaluate ZeRO: it trains large models of over 100B parameter with super-linear speedup on 400 GPUs, achieving throughput of 15 Petaflops. This represents an 8x increase in model size and 10x increase in achievable performance over state-of-the-art. In terms of usability, ZeRO can train large models of up to 13B parameters (e.g., larger than Megatron GPT 8.3B and T5 11B) without requiring model parallelism which is harder for scientists to apply. Last but not the least, researchers have used the system breakthroughs of ZeRO to create the world's largest language model (Turing-NLG, 17B parameters) with record breaking accuracy.

  • 4 authors
·
Oct 4, 2019

The Condition Number as a Scale-Invariant Proxy for Information Encoding in Neural Units

This paper explores the relationship between the condition number of a neural network's weight tensor and the extent of information encoded by the associated processing unit, viewed through the lens of information theory. It argues that a high condition number, though not sufficient for effective knowledge encoding, may indicate that the unit has learned to selectively amplify and compress information. This intuition is formalized for linear units with Gaussian inputs, linking the condition number and the transformation's log-volume scaling factor to the characteristics of the output entropy and the geometric properties of the learned transformation. The analysis demonstrates that for a fixed weight norm, a concentrated distribution of singular values (high condition number) corresponds to reduced overall information transfer, indicating a specialized and efficient encoding strategy. Furthermore, the linear stage entropy bound provides an upper limit on post-activation information for contractive, element-wise nonlinearities, supporting the condition number as a scale-invariant proxy for encoding capacity in practical neural networks. An empirical case study applies these principles to guide selective fine-tuning of Large Language Models for both a new task and a new input modality. The experiments show that the proposed method, named KappaTune, effectively mitigates catastrophic forgetting. Unlike many existing catastrophic forgetting mitigation methods that rely on access to pre-training statistics, which are often unavailable, this selective fine-tuning approach offers a way to bypass this common requirement.

  • 1 authors
·
Jun 19, 2025

Zero-Shot Detection of LLM-Generated Code via Approximated Task Conditioning

Detecting Large Language Model (LLM)-generated code is a growing challenge with implications for security, intellectual property, and academic integrity. We investigate the role of conditional probability distributions in improving zero-shot LLM-generated code detection, when considering both the code and the corresponding task prompt that generated it. Our key insight is that when evaluating the probability distribution of code tokens using an LLM, there is little difference between LLM-generated and human-written code. However, conditioning on the task reveals notable differences. This contrasts with natural language text, where differences exist even in the unconditional distributions. Leveraging this, we propose a novel zero-shot detection approach that approximates the original task used to generate a given code snippet and then evaluates token-level entropy under the approximated task conditioning (ATC). We further provide a mathematical intuition, contextualizing our method relative to previous approaches. ATC requires neither access to the generator LLM nor the original task prompts, making it practical for real-world applications. To the best of our knowledge, it achieves state-of-the-art results across benchmarks and generalizes across programming languages, including Python, CPP, and Java. Our findings highlight the importance of task-level conditioning for LLM-generated code detection. The supplementary materials and code are available at https://github.com/maorash/ATC, including the dataset gathering implementation, to foster further research in this area.

  • 4 authors
·
Jun 6, 2025

The Consciousness Prior

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

  • 1 authors
·
Sep 25, 2017

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

Foundation Inference Models for Markov Jump Processes

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

  • 5 authors
·
Jun 10, 2024

A Semantic Generalization of Shannon's Information Theory and Applications

Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.

  • 1 authors
·
May 6, 2025

A Method on Searching Better Activation Functions

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

  • 8 authors
·
May 18, 2024

DeepZero: Scaling up Zeroth-Order Optimization for Deep Model Training

Zeroth-order (ZO) optimization has become a popular technique for solving machine learning (ML) problems when first-order (FO) information is difficult or impossible to obtain. However, the scalability of ZO optimization remains an open problem: Its use has primarily been limited to relatively small-scale ML problems, such as sample-wise adversarial attack generation. To our best knowledge, no prior work has demonstrated the effectiveness of ZO optimization in training deep neural networks (DNNs) without a significant decrease in performance. To overcome this roadblock, we develop DeepZero, a principled ZO deep learning (DL) framework that can scale ZO optimization to DNN training from scratch through three primary innovations. First, we demonstrate the advantages of coordinatewise gradient estimation (CGE) over randomized vector-wise gradient estimation in training accuracy and computational efficiency. Second, we propose a sparsityinduced ZO training protocol that extends the model pruning methodology using only finite differences to explore and exploit the sparse DL prior in CGE. Third, we develop the methods of feature reuse and forward parallelization to advance the practical implementations of ZO training. Our extensive experiments show that DeepZero achieves state-of-the-art (SOTA) accuracy on ResNet-20 trained on CIFAR-10, approaching FO training performance for the first time. Furthermore, we show the practical utility of DeepZero in applications of certified adversarial defense and DL-based partial differential equation error correction, achieving 10-20% improvement over SOTA. We believe our results will inspire future research on scalable ZO optimization and contribute to advancing DL with black box. Codes are available at https://github.com/OPTML-Group/DeepZero.

  • 10 authors
·
Oct 3, 2023 2

Entropy-Guided Attention for Private LLMs

The pervasiveness of proprietary language models has raised critical privacy concerns, necessitating advancements in private inference (PI), where computations are performed directly on encrypted data without revealing users' sensitive information. While PI offers a promising solution, its practical deployment is hindered by substantial communication and latency overheads, primarily stemming from nonlinear operations. To address this, we introduce an information-theoretic framework to characterize the role of nonlinearities in decoder-only language models, laying a principled foundation for optimizing transformer-architectures tailored to the demands of PI. By leveraging Shannon's entropy as a quantitative measure, we uncover the previously unexplored dual significance of nonlinearities: beyond ensuring training stability, they are crucial for maintaining attention head diversity. Specifically, we find that their removal triggers two critical failure modes: {\em entropy collapse} in deeper layers that destabilizes training, and {\em entropic overload} in earlier layers that leads to under-utilization of Multi-Head Attention's (MHA) representational capacity. We propose an entropy-guided attention mechanism paired with a novel entropy regularization technique to mitigate entropic overload. Additionally, we explore PI-friendly alternatives to layer normalization for preventing entropy collapse and stabilizing the training of LLMs with reduced-nonlinearities. Our study bridges the gap between information theory and architectural design, establishing entropy dynamics as a principled guide for developing efficient PI architectures. The code and implementation are available at https://github.com/Nandan91/entropy-guided-attention-llm{entropy-guided-llm}.

  • 2 authors
·
Jan 6, 2025 8

Zero-Shot Statistical Tests for LLM-Generated Text Detection using Finite Sample Concentration Inequalities

Verifying the provenance of content is crucial to the function of many organizations, e.g., educational institutions, social media platforms, firms, etc. This problem is becoming increasingly difficult as text generated by Large Language Models (LLMs) becomes almost indistinguishable from human-generated content. In addition, many institutions utilize in-house LLMs and want to ensure that external, non-sanctioned LLMs do not produce content within the institution. In this paper, we answer the following question: Given a piece of text, can we identify whether it was produced by LLM A or B (where B can be a human)? We model LLM-generated text as a sequential stochastic process with complete dependence on history and design zero-shot statistical tests to distinguish between (i) the text generated by two different sets of LLMs A (in-house) and B (non-sanctioned) and also (ii) LLM-generated and human-generated texts. We prove that the type I and type II errors for our tests decrease exponentially in the text length. In designing our tests, we derive concentration inequalities on the difference between log-perplexity and the average entropy of the string under A. Specifically, for a given string, we demonstrate that if the string is generated by A, the log-perplexity of the string under A converges to the average entropy of the string under A, except with an exponentially small probability in string length. We also show that if B generates the text, except with an exponentially small probability in string length, the log-perplexity of the string under A converges to the average cross-entropy of B and A. Lastly, we present preliminary experimental results to support our theoretical results. By enabling guaranteed (with high probability) finding of the origin of harmful LLM-generated text with arbitrary size, we can help combat misinformation.

  • 4 authors
·
Jan 4, 2025

Chaos as an interpretable benchmark for forecasting and data-driven modelling

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

  • 1 authors
·
Oct 11, 2021

Forecasting Thermoacoustic Instabilities in Liquid Propellant Rocket Engines Using Multimodal Bayesian Deep Learning

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

  • 5 authors
·
Jul 1, 2021

The Entropy Mechanism of Reinforcement Learning for Reasoning Language Models

This paper aims to overcome a major obstacle in scaling RL for reasoning with LLMs, namely the collapse of policy entropy. Such phenomenon is consistently observed across vast RL runs without entropy intervention, where the policy entropy dropped sharply at the early training stage, this diminished exploratory ability is always accompanied with the saturation of policy performance. In practice, we establish a transformation equation R=-a*e^H+b between entropy H and downstream performance R. This empirical law strongly indicates that, the policy performance is traded from policy entropy, thus bottlenecked by its exhaustion, and the ceiling is fully predictable H=0, R=-a+b. Our finding necessitates entropy management for continuous exploration toward scaling compute for RL. To this end, we investigate entropy dynamics both theoretically and empirically. Our derivation highlights that, the change in policy entropy is driven by the covariance between action probability and the change in logits, which is proportional to its advantage when using Policy Gradient-like algorithms. Empirical study shows that, the values of covariance term and entropy differences matched exactly, supporting the theoretical conclusion. Moreover, the covariance term stays mostly positive throughout training, further explaining why policy entropy would decrease monotonically. Through understanding the mechanism behind entropy dynamics, we motivate to control entropy by restricting the update of high-covariance tokens. Specifically, we propose two simple yet effective techniques, namely Clip-Cov and KL-Cov, which clip and apply KL penalty to tokens with high covariances respectively. Experiments show that these methods encourage exploration, thus helping policy escape entropy collapse and achieve better downstream performance.

  • 17 authors
·
May 28, 2025 4

A Three-regime Model of Network Pruning

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

  • 4 authors
·
May 28, 2023

Ferromagnetic ordering in mazelike stripe liquid of a dipolar six-state clock model

We present a comprehensive numerical study of a six-state clock model with a long-range dipolar type interaction. This model is motivated by the ferroelectric orders in the multiferroic hexagonal manganites. At low temperatures, trimerization of local atomic structures leads to six distinct but energetically degenerate structural distortion, which can be modeled by a six-state clock model. Moreover, the atomic displacements in the trimerized state further produce a local electric polarization whose sign depends on whether the clock variable is even or odd. These induced electric dipoles, which can be modeled by emergent Ising degrees of freedom, interact with each other via long-range dipolar interactions. Extensive Monte Carlo simulations are carried out to investigate low temperature phases resulting from the competing interactions. Upon lowering temperature, the system undergoes two Berezinskii-Kosterlitz-Thouless (BKT) transitions, characteristic of the standard six-state clock model in two dimensions. The dipolar interaction between emergent Ising spins induces a first-order transition into a ground state characterized by a three-fold degenerate stripe order. The intermediate phase between the discontinuous and the second BKT transition corresponds to a maze-like hexagonal liquid with short-range stripe ordering. Moreover, this intermediate phase also exhibits an unusual ferromagnetic order with two adjacent clock variables occupying the two types of stripes of the labyrinthine pattern.

  • 3 authors
·
Dec 12, 2024

Assessing Neural Network Representations During Training Using Noise-Resilient Diffusion Spectral Entropy

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

  • 9 authors
·
Dec 3, 2023

Swing Distillation: A Privacy-Preserving Knowledge Distillation Framework

Knowledge distillation (KD) has been widely used for model compression and knowledge transfer. Typically, a big teacher model trained on sufficient data transfers knowledge to a small student model. However, despite the success of KD, little effort has been made to study whether KD leaks the training data of the teacher model. In this paper, we experimentally reveal that KD suffers from the risk of privacy leakage. To alleviate this issue, we propose a novel knowledge distillation method, swing distillation, which can effectively protect the private information of the teacher model from flowing to the student model. In our framework, the temperature coefficient is dynamically and adaptively adjusted according to the degree of private information contained in the data, rather than a predefined constant hyperparameter. It assigns different temperatures to tokens according to the likelihood that a token in a position contains private information. In addition, we inject noise into soft targets provided to the student model, in order to avoid unshielded knowledge transfer. Experiments on multiple datasets and tasks demonstrate that the proposed swing distillation can significantly reduce (by over 80% in terms of canary exposure) the risk of privacy leakage in comparison to KD with competitive or better performance. Furthermore, swing distillation is robust against the increasing privacy budget.

  • 6 authors
·
Dec 16, 2022

Arbitrary Entropy Policy Optimization: Entropy Is Controllable in Reinforcement Fine-tuning

Reinforcement fine-tuning (RFT) is essential for enhancing the reasoning capabilities of large language models (LLM), yet the widely adopted Group Relative Policy Optimization (GRPO) suffers from entropy collapse, where entropy monotonically decreases, exploration vanishes, and policies converge prematurely. Existing entropy-regularized methods only partially alleviate this issue while introducing bias and instability, leaving entropy control unresolved and the connection between entropy, exploration, and performance unclear. We propose Arbitrary Entropy Policy Optimization (AEPO), which eliminates entropy collapse by replacing entropy bonuses with REINFORCE policy gradient on temperature-adjusted distributions and stabilizing entropy through temperature regulation. AEPO integrates three key designs: policy gradient as regularization, distribution as regularization, and REINFORCE as regularization, enabling precise entropy control without distorting optimization. Experiments demonstrate three major contributions: AEPO (1) stabilizes entropy at arbitrary target levels, effectively removing collapse in GRPO; (2) reveals a non-monotonic relation where performance first improves then declines with increasing entropy, clarifying the link between entropy, exploration, and reasoning; and (3) generalizes beyond entropy, providing a broader RFT paradigm where superior target distributions can serve as REINFORCE regularizers.

  • 7 authors
·
Oct 9, 2025

DiffAdapt: Difficulty-Adaptive Reasoning for Token-Efficient LLM Inference

Recent reasoning Large Language Models (LLMs) demonstrate remarkable problem-solving abilities but often generate long thinking traces whose utility is unclear. Our work aims to improve their efficiency, enabling them to reach high performance without overthinking. First, we analyze the entropy of token probabilities in reasoning traces. Across three models, we observe a consistent U-shaped entropy pattern: high entropy on easy problems despite high accuracy, low entropy on problems with medium difficulty, and high entropy on hard problems reflecting uncertainty. Specifically, we notice 22--25\% entropy reduction from easy to medium difficulty regions, suggesting an {overthinking} phenomenon on easy instances. Building on these insights, we introduce DiffAdapt, a lightweight framework that selects Easy/Normal/Hard inference strategies per question based on their difficulty and reasoning trace entropy. Each inference strategy consists of a fixed prompt, temperature and maximum token length. In contrast to existing efficiency optimization methods, our approach does not fine-tune base LLM but a small probe that classifies LLM's final hidden state, allowing inexpensive adaptation. We comprehensively evaluate our method on five models and eight benchmarks. Our method achieves comparable or improved accuracy while reducing token usage by up to 22.4\%, establishing a practical path toward compute-efficient reasoning.

  • 4 authors
·
Oct 22, 2025

EPO: Entropy-regularized Policy Optimization for LLM Agents Reinforcement Learning

Training LLM agents in multi-turn environments with sparse rewards, where completing a single task requires 30+ turns of interaction within an episode, presents a fundamental challenge for reinforcement learning. We identify a critical failure mode unique to this setting: the exploration-exploitation cascade failure. This cascade begins with early-stage policy premature convergence, where sparse feedback causes agents to commit to flawed, low-entropy strategies. Subsequently, agents enter late-stage policy collapse, where conventional entropy regularization becomes counterproductive, promoting chaotic exploration that destabilizes training. We propose Entropy-regularized Policy Optimization (EPO), a general framework that breaks this failure cycle through three synergistic mechanisms: (1) adopting entropy regularization in multi-turn settings to enhance exploration, (2) an entropy smoothing regularizer that bounds policy entropy within historical averages to prevent abrupt fluctuations, and (3) adaptive phase-based weighting that balances exploration and exploitation across training. Our analysis justifies that EPO guarantees monotonically decreasing entropy variance while maintaining convergence. EPO achieves up to 152% performance improvement on ScienceWorld and up to 19.8% on ALFWorld. Our work demonstrates that multi-turn sparse-reward settings require fundamentally different entropy control than traditional RL, with broad implications for LLM agent training.

  • 9 authors
·
Sep 26, 2025 2

Artificial Entanglement in the Fine-Tuning of Large Language Models

Large language models (LLMs) can be adapted to new tasks using parameter-efficient fine-tuning (PEFT) methods that modify only a small number of trainable parameters, often through low-rank updates. In this work, we adopt a quantum-information-inspired perspective to understand their effectiveness. From this perspective, low-rank parameterizations naturally correspond to low-dimensional Matrix Product States (MPS) representations, which enable entanglement-based characterizations of parameter structure. Thereby, we term and measure "Artificial Entanglement", defined as the entanglement entropy of the parameters in artificial neural networks (in particular the LLMs). We first study the representative low-rank adaptation (LoRA) PEFT method, alongside full fine-tuning (FFT), using LLaMA models at the 1B and 8B scales trained on the Tulu3 and OpenThoughts3 datasets, and uncover: (i) Internal artificial entanglement in the updates of query and value projection matrices in LoRA follows a volume law with a central suppression (termed as the "Entanglement Valley"), which is sensitive to hyper-parameters and is distinct from that in FFT; (ii) External artificial entanglement in attention matrices, corresponding to token-token correlations in representation space, follows an area law with logarithmic corrections and remains robust to LoRA hyper-parameters and training steps. Drawing a parallel to the No-Hair Theorem in black hole physics, we propose that although LoRA and FFT induce distinct internal entanglement signatures, such differences do not manifest in the attention outputs, suggesting a "no-hair" property that results in the effectiveness of low rank updates. We further provide theoretical support based on random matrix theory, and extend our analysis to an MPS Adaptation PEFT method, which exhibits qualitatively similar behaviors.

  • 6 authors
·
Jan 11 2

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