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Apr 14

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

Learned Hallucination Detection in Black-Box LLMs using Token-level Entropy Production Rate

Hallucinations in Large Language Model (LLM) outputs for Question Answering (QA) tasks can critically undermine their real-world reliability. This paper introduces a methodology for robust, one-shot hallucination detection, specifically designed for scenarios with limited data access, such as interacting with black-box LLM APIs that typically expose only a few top candidate log-probabilities per token. Our approach derives uncertainty indicators directly from these readily available log-probabilities generated during non-greedy decoding. We first derive an Entropy Production Rate (EPR) that offers baseline performance, later augmented with supervised learning. Our learned model leverages the entropic contributions of the accessible top-ranked tokens within a single generated sequence, without multiple re-runs per query. Evaluated across diverse QA datasets and multiple LLMs, this estimator significantly improves token-level hallucination detection over state-of-the-art methods. Crucially, high performance is demonstrated using only the typically small set of available log-probabilities (e.g., top-10 per token), confirming its practical efficiency and suitability for API-constrained deployments. This work provides a lightweight technique to enhance the trustworthiness of LLM responses, at the token level, after a single generation pass, for QA and Retrieval-Augmented Generation (RAG) systems. Our experiments confirmed the performance of our method against existing approaches on public dataset as well as for a financial framework analyzing annual company reports.

artefactory Artefact
·
Sep 1, 2025

Time evolution of the Boltzmann entropy for a nonequilibrium dilute gas

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

  • 4 authors
·
Mar 12, 2024

Improving Black-box Robustness with In-Context Rewriting

Machine learning models often excel on in-distribution (ID) data but struggle with unseen out-of-distribution (OOD) inputs. Most techniques for improving OOD robustness are not applicable to settings where the model is effectively a black box, such as when the weights are frozen, retraining is costly, or the model is leveraged via an API. Test-time augmentation (TTA) is a simple post-hoc technique for improving robustness that sidesteps black-box constraints by aggregating predictions across multiple augmentations of the test input. TTA has seen limited use in NLP due to the challenge of generating effective natural language augmentations. In this work, we propose LLM-TTA, which uses LLM-generated augmentations as TTA's augmentation function. LLM-TTA outperforms conventional augmentation functions across sentiment, toxicity, and news classification tasks for BERT and T5 models, with BERT's OOD robustness improving by an average of 4.30 percentage points without regressing average ID performance. We explore selectively augmenting inputs based on prediction entropy to reduce the rate of expensive LLM augmentations, allowing us to maintain performance gains while reducing the average number of generated augmentations by 57.76%. LLM-TTA is agnostic to the task model architecture, does not require OOD labels, and is effective across low and high-resource settings. We share our data, models, and code for reproducibility.

  • 8 authors
·
Feb 13, 2024

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

First Light And Reionisation Epoch Simulations (FLARES) XIII: The Lyman-continuum emission of high-redshift galaxies

The history of reionisation is highly dependent on the ionising properties of high-redshift galaxies. It is therefore important to have a solid understanding of how the ionising properties of galaxies are linked to physical and observable quantities. In this paper, we use the First Light and Reionisation Epoch Simulations (FLARES) to study the Lyman-continuum (LyC, i.e. hydrogen-ionising) emission of massive (M_*>10^8,M_odot) galaxies at redshifts z=5-10. We find that the specific ionising emissivity (i.e. intrinsic ionising emissivity per unit stellar mass) decreases as stellar mass increases, due to the combined effects of increasing age and metallicity. FLARES predicts a median ionising photon production efficiency (i.e. intrinsic ionising emissivity per unit intrinsic far-UV luminosity) of log_{10}(xi_{rm ion}/erg^{-1Hz})=25.40^{+0.16}_{-0.17}, with values spanning the range log_{10}(xi_{rm ion}/erg^{-1Hz})=25-25.75. This is within the range of many observational estimates, but below some of the extremes observed. We compare the production efficiency with observable properties, and find a weak negative correlation with the UV-continuum slope, and a positive correlation with the OIII equivalent width. We also consider the dust-attenuated production efficiency (i.e. intrinsic ionising emissivity per unit dust-attenuated far-UV luminosity), and find a median of log_{10}(xi_{rm ion}/erg^{-1Hz})sim25.5. Within our sample of M_*>10^8,M_odot galaxies, it is the stellar populations in low mass galaxies that contribute the most to the total ionising emissivity. Active galactic nuclei (AGN) emission accounts for 10-20 % of the total emissivity at a given redshift, and extends the LyC luminosity function by sim0.5 dex.

  • 13 authors
·
May 29, 2023

On the Entropy Dynamics in Reinforcement Fine-Tuning of Large Language Models

Entropy serves as a critical metric for measuring the diversity of outputs generated by large language models (LLMs), providing valuable insights into their exploration capabilities. While recent studies increasingly focus on monitoring and adjusting entropy to better balance exploration and exploitation in reinforcement fine-tuning (RFT), a principled understanding of entropy dynamics during this process is yet to be thoroughly investigated. In this paper, we establish a theoretical framework for analyzing the entropy dynamics during the RFT process, which begins with a discriminant expression that quantifies entropy change under a single logit update. This foundation enables the derivation of a first-order expression for entropy change, which can be further extended to the update formula of Group Relative Policy Optimization (GRPO). The corollaries and insights drawn from the theoretical analysis inspire the design of entropy control methods, and also offer a unified lens for interpreting various entropy-based methods in existing studies. We provide empirical evidence to support the main conclusions of our analysis and demonstrate the effectiveness of the derived entropy-discriminator clipping methods. This study yields novel insights into RFT training dynamics, providing theoretical support and practical strategies for optimizing the exploration-exploitation balance during LLM fine-tuning.

  • 7 authors
·
Feb 3 7

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

Pre-perihelion Development of Interstellar Comet 3I/ATLAS

We describe pre-perihelion optical observations of interstellar comet 3I/ATLAS taken during July - September 2025 using the Nordic Optical Telescope. Fixed aperture photometry of the comet is well described by a power law function of heliocentric distance, rH, with the exponent (``index") n = 3.8+/-0.3 across the 4.6 au to 1.8 au distance range (phase function 0.04+/-0.02 magnitude/degree assumed). This indicates that the dust production rates vary in proportion to rH**(-1.8+/-0.3). An rH**(-2) variation is expected of a strongly volatile material, and consistent with independent spectroscopic observations showing that carbon dioxide is the primary driver of activity. The measured heliocentric index is unremarkable in the context of solar system comets, for which n is widely dispersed, and provides no basis on which to describe 3I as either dynamically old (thermally processed) or new (pristine). The morphology of the comet changes from a Sun-facing dust fan in the early 2025 July observations, to one dominated by an antisolar dust tail at later dates. We attribute the delayed emergence of the tail to the large size (effective radius 0.1 mm) and slow ejection (5 m/s) of the optically dominant dust particles, and their consequently sluggish response to solar radiation pressure. Small (micron-sized) particles may be present but not in numbers sufficient to dominate the scattering cross-section. Their relative depletion possibly reflects interparticle cohesion, which binds small particles more effectively than large ones. A similar preponderance of 0.1 mm grains was reported in 2I/Borisov. However, 2I differed from 3I in having a much smaller (asteroid-like) heliocentric index, n = 1.9+/-0.1. Dust production rates in 3I are 180 kg/s at 2 au, compared with 70 kg/s in 2I/Borisov at the same distance.

  • 2 authors
·
Oct 21, 2025

dewi-kadita: A Python Library for Idealized Fish Schooling Simulation with Entropy-Based Diagnostics

Collective motion in fish schools exemplifies emergent self-organization in active matter systems, yet computational tools for simulating and analyzing these dynamics remain fragmented across research groups. We present dewi-kadita, an open-source Python library implementing the three-dimensional Couzin zone-based model with comprehensive entropy diagnostics tailored for marine collective behavior research. The library introduces seven information-theoretic metrics -- school cohesion entropy, polarization entropy, depth stratification entropy, angular momentum entropy, nearest-neighbor entropy, velocity correlation entropy, and school shape entropy -- that characterize distinct organizational features inaccessible to classical order parameters. These metrics combine into an Oceanic Schooling Index (OSI) providing a single scalar measure of collective disorder. Validation across four canonical configurations (swarm, torus, dynamic parallel, highly parallel) confirms correct reproduction of known phase behaviors: the swarm maintains disorder with polarization P < 0.1 and OSI approx 0.71, while the highly parallel state achieves P = 0.998 with OSI = 0.24 and velocity correlation entropy vanishing to zero. The entropy framework successfully discriminates the torus and dynamic parallel configurations that exhibit comparable order parameter magnitudes through different organizational mechanisms. Numba just-in-time (JIT) compilation accelerates pairwise interaction calculations by 10--100times, enabling simulations of 150--250 agents over 1000--2000 time steps within five minutes on standard workstation hardware. NetCDF4 output ensures interoperability with oceanographic analysis tools. The library addresses the need for standardized, reproducible infrastructure in collective behavior modeling analogous to established molecular dynamics codes.

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

P--V criticality, Joule--Thomson expansion, and holographic heat engine of charged Hayward-AdS black holes with a cloud of strings and perfect fluid dark matter

We construct the charged Hayward-anti-de Sitter (AdS) black hole (BH) with a cloud of strings (CS) and perfect fluid dark matter (PFDM), and analyze its extended thermodynamic phase structure. The Hayward parameter g replaces the central singularity with a de Sitter (dS) core, while the CS parameter a and the PFDM parameter β encode astrophysically motivated matter content. Treating the cosmological constant as pressure, we derive the thermodynamic quantities, verify the Smarr relation, and establish P--V criticality with a van der Waals (vdW)-like small-large BH phase transition and mean-field critical exponents. The Gibbs free energy (GFE) exhibits the characteristic swallowtail below the critical pressure. The Joule-Thomson (JT) expansion yields T_i^{rm min}/T_c approx 0.247, roughly half the Reissner--Nordström-AdS value. The parameters g and Q contract the cooling region, β expands it, and a reshapes it non-monotonically. A holographic heat engine with a rectangular cycle gives efficiencies η= 0.362--0.396 and Carnot benchmarking ratios η/η_C = 0.625--0.791 across six configurations. The CS parameter improves the engine efficiency by reducing the enthalpy at fixed thermodynamic volume, while the PFDM parameter degrades it by adding gravitational enthalpy without contributing to the mechanical work.

  • 3 authors
·
Mar 1

Exploring the Current Star Formation Rate and Nebula Ratio of Star-Formation Galaxies at z < 0.4 with FADO

The star formation rate is a crucial astrophysical tracer for understanding the formation and evolution of galaxies, determining the interaction between interstellar medium properties and star formation, thereby inferring the evolutionary laws of cosmic star formation history and cosmic energy density. The mainstream approach to studying the stellar property in galaxies relies on pure stellar population synthesis models. However, these methods fail to account for the contamination of SFR caused by nebular gas radiation. Recent studies have indicated that neglecting nebular radiation contamination appears non-negligible in galaxies with intense star-forming activities and at relatively high redshifts, potentially leading to overestimating stellar masses. However, there is currently limited targeted research, particularly regarding galaxies at redshifts (z < 0.4). In this work, 6,511 star-formation galaxies are selected from the SDSS-DR18, and FADO fits their spectra. This tool can exclude nebular radiation contributions in the spectral fitting. A tentative work is carried out to explore the SFR of these galaxies. The results indicate that the median \( H_{\alpha} \) flux obtained from FADO fitting differs from that obtained using the pure stellar population synthesis model {\it qsofitmore} by approximately 0.034 dex. Preliminary evidence suggests that the average nebula ratio increases with redshift. Additionally, we investigated the impact of stellar mass on the nebula ratio at low to moderate redshifts. By comparing two spectral fitting software packages, we found that although the contribution of nebular emission is minimal, it generally shows an increasing trend with redshift. We anticipate that by combining optical and near-infrared spectral data, the influence of nebulae may become more prominent in star-forming galaxies at higher redshifts (e.g., up to z sim 2).

  • 5 authors
·
Apr 11, 2024

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

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

Characterising the Atmosphere of 55 Cancri e: 1D Forward Model Grid for Current and Future JWST Observations

Recent JWST observations with NIRCam and MIRI of the ultra-short-period super-Earth 55 Cancri e indicate a possible volatile atmosphere surrounding the planet. Previous analysis of the NIRCam spectra suggested potential absorption features from CO2 or CO and significant sub-weekly variability. The MIRI low-resolution spectrum does not contain substantial features but was found to be consistent with effective heat redistribution models. In this work, we computed a grid of over 25000 self-consistent 1D forward models incorporating H-N-O-C-S-P-Si-Ti equilibrium chemistry and assessed plausible atmospheric compositions based on the current JWST data. Despite exhaustive analysis, the composition and properties of the atmosphere remain elusive. While our results statistically favour a global, hydrogen-free, nitrogen-dominated atmosphere enriched in PO and CO2, various alternative compositions, including H2O-,CO-, PH3-, or Si-bearing remain viable explanations. Unconstrained heat redistribution efficiency and absolute NIRCam flux are among the largest sources of uncertainty in our analysis. We also find that the heat redistribution factor and surface pressure are highly degenerate with atmospheric composition, and that these parameters cannot be independently constrained using current JWST observations. Furthermore, we show that the observed variability may arise from dynamic interactions between the atmosphere and an underlying magma ocean, driving rapid shifts in atmospheric chemistry and thermal emission. Our results highlight the importance of using self-consistent forward models when analysing novel JWST spectra with limited signal-to-noise ratios -- such as those of 55 Cancri e -- as it allows for a more comprehensive evaluation of potential atmospheric scenarios while also being less sensitive to subtle spectral differences than retrievals...

  • 12 authors
·
Mar 20, 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