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Mar 11

Complementary Probes of Warped Extra Dimension: Colliders, Gravitational Waves and Primordial Black Holes from Phase Transitions

We study the formation of primordial black holes (PBHs) and stochastic gravitational waves background (SGWB) produced by the supercooled radion phase transition (PT) in warped extra-dimension models solving the gauge hierarchy problem. We first determine how the SGWB and the produced PBH mass and abundance depend on the warped model's infrared energy scale rho, and the number of holographic colors N. With this finding, we recast on the plane {rho, N} the current SGWB and PBH constraints, as well as the expected parameter reaches of GW detectors, as LISA and ET, and the gravitational lensing ones, such as NGRST. On the same plane, we also map the collider bounds on massive graviton production, and cosmological bounds on the radion phenomenology. We find that, for N sim 10-50, the considered PT predicts a PBH population mass in the range M_{rm PBH}sim(10^{-1} - 10^{-25}) M_{odot} for rho sim (10^{-4} - 10^{8}) TeV. In the range rho simeq (0.05 - 0.5) GeV, it can explain the recent SGWB hint at nHz frequencies and generate PBH binaries with mass M_{rm PBH}sim(0.1 - 1 ) M_odot detectable at LISA and ET. The experimentally allowed mass region where PBHs can account for the whole dark matter abundance, and are produced with a tuning lesssim 10^{-4}, corresponds to 10 TeV lesssim rholesssim 10^4 TeV. These PBHs can compensate the lack of natural candidates for dark matter in warped extra dimensional models. Such a region represents a great science case where forthcoming and future colliders like HE-LHC and FCC-hh, gravitational-wave observatories and other PBHs probes play a key complementary role.

First Order Quantum Phase Transition in the Hybrid Metal-Mott Insulator Transition Metal Dichalcogenide 4Hb-TaS2

Coupling together distinct correlated and topologically non-trivial electronic phases of matter can potentially induce novel electronic orders and phase transitions among them. Transition metal dichalcogenide compounds serve as a bedrock for exploration of such hybrid systems. They host a variety of exotic electronic phases and their Van der Waals nature enables to admix them, either by exfoliation and stacking or by stoichiometric growth, and thereby induce novel correlated complexes. Here we investigate the compound 4Hb-TaS_2 that interleaves the Mott-insulating state of 1T-TaS_2 and the putative spin liquid it hosts together with the metallic state of 2H-TaS_2 and the low temperature superconducting phase it harbors. We reveal a thermodynamic phase diagram that hosts a first order quantum phase transition between a correlated Kondo cluster state and a flat band state in which the Kondo cluster becomes depleted. We demonstrate that this intrinsic transition can be induced by an electric field and temperature as well as by manipulation of the interlayer coupling with the probe tip, hence allowing to reversibly toggle between the Kondo cluster and the flat band states. The phase transition is manifested by a discontinuous change of the complete electronic spectrum accompanied by hysteresis and low frequency noise. We find that the shape of the transition line in the phase diagram is determined by the local compressibility and the entropy of the two electronic states. Our findings set such heterogeneous structures as an exciting platform for systematic investigation and manipulation of Mott-metal transitions and strongly correlated phases and quantum phase transitions therein.

Teaching Arithmetic to Small Transformers

Large language models like GPT-4 exhibit emergent capabilities across general-purpose tasks, such as basic arithmetic, when trained on extensive text data, even though these tasks are not explicitly encoded by the unsupervised, next-token prediction objective. This study investigates how small transformers, trained from random initialization, can efficiently learn arithmetic operations such as addition, multiplication, and elementary functions like square root, using the next-token prediction objective. We first demonstrate that conventional training data is not the most effective for arithmetic learning, and simple formatting changes can significantly improve accuracy. This leads to sharp phase transitions as a function of training data scale, which, in some cases, can be explained through connections to low-rank matrix completion. Building on prior work, we then train on chain-of-thought style data that includes intermediate step results. Even in the complete absence of pretraining, this approach significantly and simultaneously improves accuracy, sample complexity, and convergence speed. We also study the interplay between arithmetic and text data during training and examine the effects of few-shot prompting, pretraining, and model scale. Additionally, we discuss length generalization challenges. Our work highlights the importance of high-quality, instructive data that considers the particular characteristics of the next-word prediction objective for rapidly eliciting arithmetic capabilities.

Simulating 2+1D Lattice Quantum Electrodynamics at Finite Density with Neural Flow Wavefunctions

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the U(1) degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous U(1) system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

Cybloids $-$ Creation and Control of Cybernetic Colloids

Colloids play an important role in fundamental science as well as in nature and technology. They have had a strong impact on the fundamental understanding of statistical physics. For example, colloids have helped to obtain a better understanding of collective phenomena, ranging from phase transitions and glass formation to the swarming of active Brownian particles. Yet the success of colloidal systems hinges crucially on the specific physical and chemical properties of the colloidal particles, i.e. particles with the appropriate characteristics must be available. Here we present an idea to create particles with freely selectable properties. The properties might depend, for example, on the presence of other particles (hence mimicking specific pair or many-body interactions), previous configurations (hence introducing some memory or feedback), or a directional bias (hence changing the dynamics). Without directly interfering with the sample, each particle is fully controlled and can receive external commands through a predefined algorithm that can take into account any input parameters. This is realized with computer-controlled colloids, which we term cybloids - short for cybernetic colloids. The potential of cybloids is illustrated by programming a time-delayed external potential acting on a single colloid and interaction potentials for many colloids. Both an attractive harmonic potential and an annular potential are implemented. For a single particle, this programming can cause subdiffusive behavior or lend activity. For many colloids, the programmed interaction potential allows to select a crystal structure at wish. Beyond these examples, we discuss further opportunities which cybloids offer.

Incomplete RG: Hawking-Page transition, C-theorem and relevant scalar deformations of global AdS

We discuss relevant scalar deformations of a holographic theory with a compact boundary. An example of such a theory would be the global AdS_4 with its spatially compact boundary S^2. To introduce a relevant deformation, we choose to turn on a time-independent and spatially homogeneous non-normalizable scalar operator with m^2 = -2. The finite size of a compact boundary cuts down the RG flow at a finite length scale leading to an incomplete RG flow to IR. We discuss a version of {\it incomplete} C-theorem and an {\it incomplete} attractor like mechanism. We discuss the implication of our results for entanglement entropy and geometric quantities like scalar curvature, volume and mass scale of fundamental excitation of the how these quantities increase or decrease (often monotonically) with the strength of the deformation. Thermal physics of a holographic theory defined on a compact boundary is more interesting than its non-compact counterpart. It is well known that with a compact boundary, there is a possibility of a first order Hawking-Page transition dual to a de-confinement phase transition. From a gravity perspective, a relevant deformation dumps negative energy inside the bulk, increasing the effective cosmological constant (Lambda) of the AdS. Dumping more negative energy in the bulk would make the HP transition harder and the corresponding HP transition temperature would increase. However, we have found the size of the BH at the transition temperature decreases.

Deep Networks Always Grok and Here is Why

Grokking, or delayed generalization, is a phenomenon where generalization in a deep neural network (DNN) occurs long after achieving near zero training error. Previous studies have reported the occurrence of grokking in specific controlled settings, such as DNNs initialized with large-norm parameters or transformers trained on algorithmic datasets. We demonstrate that grokking is actually much more widespread and materializes in a wide range of practical settings, such as training of a convolutional neural network (CNN) on CIFAR10 or a Resnet on Imagenette. We introduce the new concept of delayed robustness, whereby a DNN groks adversarial examples and becomes robust, long after interpolation and/or generalization. We develop an analytical explanation for the emergence of both delayed generalization and delayed robustness based on a new measure of the local complexity of a DNN's input-output mapping. Our local complexity measures the density of the so-called 'linear regions' (aka, spline partition regions) that tile the DNN input space, and serves as a utile progress measure for training. We provide the first evidence that for classification problems, the linear regions undergo a phase transition during training whereafter they migrate away from the training samples (making the DNN mapping smoother there) and towards the decision boundary (making the DNN mapping less smooth there). Grokking occurs post phase transition as a robust partition of the input space emerges thanks to the linearization of the DNN mapping around the training points. Website: https://bit.ly/grok-adversarial

Computational Limits of Low-Rank Adaptation (LoRA) for Transformer-Based Models

We study the computational limits of Low-Rank Adaptation (LoRA) update for finetuning transformer-based models using fine-grained complexity theory. Our key observation is that the existence of low-rank decompositions within the gradient computation of LoRA adaptation leads to possible algorithmic speedup. This allows us to (i) identify a phase transition behavior and (ii) prove the existence of nearly linear algorithms by controlling the LoRA update computation term by term, assuming the Strong Exponential Time Hypothesis (SETH). For the former, we identify a sharp transition in the efficiency of all possible rank-r LoRA update algorithms for transformers, based on specific norms resulting from the multiplications of the input sequence X, pretrained weights W^star, and adapter matrices alpha B A / r. Specifically, we derive a shared upper bound threshold for such norms and show that efficient (sub-quadratic) approximation algorithms of LoRA exist only below this threshold. For the latter, we prove the existence of nearly linear approximation algorithms for LoRA adaptation by utilizing the hierarchical low-rank structures of LoRA gradients and approximating the gradients with a series of chained low-rank approximations. To showcase our theory, we consider two practical scenarios: partial (e.g., only W_V and W_Q) and full adaptations (e.g., W_Q, W_V, and W_K) of weights in attention heads.

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.

HandRefiner: Refining Malformed Hands in Generated Images by Diffusion-based Conditional Inpainting

Diffusion models have achieved remarkable success in generating realistic images but suffer from generating accurate human hands, such as incorrect finger counts or irregular shapes. This difficulty arises from the complex task of learning the physical structure and pose of hands from training images, which involves extensive deformations and occlusions. For correct hand generation, our paper introduces a lightweight post-processing solution called HandRefiner. HandRefiner employs a conditional inpainting approach to rectify malformed hands while leaving other parts of the image untouched. We leverage the hand mesh reconstruction model that consistently adheres to the correct number of fingers and hand shape, while also being capable of fitting the desired hand pose in the generated image. Given a generated failed image due to malformed hands, we utilize ControlNet modules to re-inject such correct hand information. Additionally, we uncover a phase transition phenomenon within ControlNet as we vary the control strength. It enables us to take advantage of more readily available synthetic data without suffering from the domain gap between realistic and synthetic hands. Experiments demonstrate that HandRefiner can significantly improve the generation quality quantitatively and qualitatively. The code is available at https://github.com/wenquanlu/HandRefiner .

A New Approach for Constraining Large-Scale Temperature Fluctuations in the Intergalactic Medium

The reionization of helium is thought to occur at 2.5lesssim zlesssim4, marking the last phase transition and final global heating event of the intergalactic medium (IGM). Since it is driven by rare quasars, helium reionization should give rise to strong temperature fluctuations in the IGM between neutral and recently-ionized regions of order sigma (ln T) sim Delta T/T = 20-50%. We introduce a novel method to search for reionization-induced temperature fluctuations in the IGM by using the effective optical depths of the Lyman-alpha forest towards a large number of background quasars. Higher IGM temperatures give rise to lower effective optical depths in the Lyman-alpha forest, implying that temperature fluctuations will broaden the observed optical depth distribution. We measured the distributions of effective Lyman-alpha forest optical depths across 71 X-Shooter spectra from the XQ-100 survey in four redshift bins from z=3.76 to z=4.19 and compared them to a large-volume cosmological hydrodynamical simulation. A good agreement is found between the observations and the simulation, which does not include temperature fluctuations; therefore, we do not detect a signature of helium reionization. We then post-process the simulations to include an increasing amount of temperature fluctuations until the model becomes inconsistent with the observations. We obtain tight constraints on sigma (ln T) < 0.29 (<0.40) at 2 sigma (3 sigma) at z=3.76 when averaging over scales of 100 comoving Mpc, and weaker constraints for higher redshifts and smaller scales. Our constraints are the tightest to date, and imply that either the IGM temperature contrast caused by helium reionization is less than sim30%, or that the process has not yet significantly started at z=3.76.

Diffusion Models Learn Low-Dimensional Distributions via Subspace Clustering

Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large image dimension, circumventing the curse of dimensionality. In this work, we provide theoretical insights into this phenomenon by leveraging key empirical observations: (i) the low intrinsic dimensionality of image data, (ii) a union of manifold structure of image data, and (iii) the low-rank property of the denoising autoencoder in trained diffusion models. These observations motivate us to assume the underlying data distribution of image data as a mixture of low-rank Gaussians and to parameterize the denoising autoencoder as a low-rank model according to the score function of the assumed distribution. With these setups, we rigorously show that optimizing the training loss of diffusion models is equivalent to solving the canonical subspace clustering problem over the training samples. Based on this equivalence, we further show that the minimal number of samples required to learn the underlying distribution scales linearly with the intrinsic dimensions under the above data and model assumptions. This insight sheds light on why diffusion models can break the curse of dimensionality and exhibit the phase transition in learning distributions. Moreover, we empirically establish a correspondence between the subspaces and the semantic representations of image data, facilitating image editing. We validate these results with corroborated experimental results on both simulated distributions and image datasets.

Understanding the Role of Feedback in Online Learning with Switching Costs

In this paper, we study the role of feedback in online learning with switching costs. It has been shown that the minimax regret is Theta(T^{2/3}) under bandit feedback and improves to Theta(T) under full-information feedback, where T is the length of the time horizon. However, it remains largely unknown how the amount and type of feedback generally impact regret. To this end, we first consider the setting of bandit learning with extra observations; that is, in addition to the typical bandit feedback, the learner can freely make a total of B_{ex} extra observations. We fully characterize the minimax regret in this setting, which exhibits an interesting phase-transition phenomenon: when B_{ex} = O(T^{2/3}), the regret remains Theta(T^{2/3}), but when B_{ex} = Omega(T^{2/3}), it becomes Theta(T/B_{mathrm{ex}}), which improves as the budget B_{ex} increases. To design algorithms that can achieve the minimax regret, it is instructive to consider a more general setting where the learner has a budget of B total observations. We fully characterize the minimax regret in this setting as well and show that it is Theta(T/B), which scales smoothly with the total budget B. Furthermore, we propose a generic algorithmic framework, which enables us to design different learning algorithms that can achieve matching upper bounds for both settings based on the amount and type of feedback. One interesting finding is that while bandit feedback can still guarantee optimal regret when the budget is relatively limited, it no longer suffices to achieve optimal regret when the budget is relatively large.

Feedback-controlled solute transport through chemo-responsive polymer membranes

Polymer membranes are typically assumed to be inert and nonresponsive to the flux and density of the permeating particles in transport processes. Here, we study theoretically the consequences of membrane responsiveness and feedback on the steady-state force--flux relations and membrane permeability using a nonlinear-feedback solution-diffusion model of transport through a slab-like membrane. Therein, the solute concentration inside the membrane depends on the bulk concentration, c_0, the driving force, f, and the polymer volume fraction, phi. In our model, solute accumulation in the membrane causes a sigmoidal volume phase transition of the polymer, changing its permeability, which, in return, affects the membrane's solute uptake. This feedback leads to nonlinear force--flux relations, j(f), which we quantify in terms of the system's differential permeability, P_sys^{Delta}mathrm{dj}/{df}. We find that the membrane feedback can increase or decrease the solute flux by orders of magnitude, triggered by a small change in the driving force, and largely tunable by attractive versus repulsive solute--membrane interactions. Moreover, controlling the input, c_0 and f, can lead to steady-state bistability of phi and hysteresis in the force--flux relations. This work advocates that the fine-tuning of the membrane's chemo-responsiveness will enhance the nonlinear transport control features, providing great potential for future (self-)regulating membrane devices.

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.

Scan and Snap: Understanding Training Dynamics and Token Composition in 1-layer Transformer

Transformer architecture has shown impressive performance in multiple research domains and has become the backbone of many neural network models. However, there is limited understanding on how it works. In particular, with a simple predictive loss, how the representation emerges from the gradient training dynamics remains a mystery. In this paper, for 1-layer transformer with one self-attention layer plus one decoder layer, we analyze its SGD training dynamics for the task of next token prediction in a mathematically rigorous manner. We open the black box of the dynamic process of how the self-attention layer combines input tokens, and reveal the nature of underlying inductive bias. More specifically, with the assumption (a) no positional encoding, (b) long input sequence, and (c) the decoder layer learns faster than the self-attention layer, we prove that self-attention acts as a discriminative scanning algorithm: starting from uniform attention, it gradually attends more to distinct key tokens for a specific next token to be predicted, and pays less attention to common key tokens that occur across different next tokens. Among distinct tokens, it progressively drops attention weights, following the order of low to high co-occurrence between the key and the query token in the training set. Interestingly, this procedure does not lead to winner-takes-all, but decelerates due to a phase transition that is controllable by the learning rates of the two layers, leaving (almost) fixed token combination. We verify this \emph{scan and snap} dynamics on synthetic and real-world data (WikiText).

Increasing Liquid State Machine Performance with Edge-of-Chaos Dynamics Organized by Astrocyte-modulated Plasticity

The liquid state machine (LSM) combines low training complexity and biological plausibility, which has made it an attractive machine learning framework for edge and neuromorphic computing paradigms. Originally proposed as a model of brain computation, the LSM tunes its internal weights without backpropagation of gradients, which results in lower performance compared to multi-layer neural networks. Recent findings in neuroscience suggest that astrocytes, a long-neglected non-neuronal brain cell, modulate synaptic plasticity and brain dynamics, tuning brain networks to the vicinity of the computationally optimal critical phase transition between order and chaos. Inspired by this disruptive understanding of how brain networks self-tune, we propose the neuron-astrocyte liquid state machine (NALSM) that addresses under-performance through self-organized near-critical dynamics. Similar to its biological counterpart, the astrocyte model integrates neuronal activity and provides global feedback to spike-timing-dependent plasticity (STDP), which self-organizes NALSM dynamics around a critical branching factor that is associated with the edge-of-chaos. We demonstrate that NALSM achieves state-of-the-art accuracy versus comparable LSM methods, without the need for data-specific hand-tuning. With a top accuracy of 97.61% on MNIST, 97.51% on N-MNIST, and 85.84% on Fashion-MNIST, NALSM achieved comparable performance to current fully-connected multi-layer spiking neural networks trained via backpropagation. Our findings suggest that the further development of brain-inspired machine learning methods has the potential to reach the performance of deep learning, with the added benefits of supporting robust and energy-efficient neuromorphic computing on the edge.

Early warning signals: The charted and uncharted territories

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

Grokking Tickets: Lottery Tickets Accelerate Grokking

Grokking is one of the most surprising puzzles in neural network generalization: a network first reaches a memorization solution with perfect training accuracy and poor generalization, but with further training, it reaches a perfectly generalized solution. We aim to analyze the mechanism of grokking from the lottery ticket hypothesis, identifying the process to find the lottery tickets (good sparse subnetworks) as the key to describing the transitional phase between memorization and generalization. We refer to these subnetworks as ''Grokking tickets'', which is identified via magnitude pruning after perfect generalization. First, using ''Grokking tickets'', we show that the lottery tickets drastically accelerate grokking compared to the dense networks on various configurations (MLP and Transformer, and an arithmetic and image classification tasks). Additionally, to verify that ''Grokking ticket'' are a more critical factor than weight norms, we compared the ''good'' subnetworks with a dense network having the same L1 and L2 norms. Results show that the subnetworks generalize faster than the controlled dense model. In further investigations, we discovered that at an appropriate pruning rate, grokking can be achieved even without weight decay. We also show that speedup does not happen when using tickets identified at the memorization solution or transition between memorization and generalization or when pruning networks at the initialization (Random pruning, Grasp, SNIP, and Synflow). The results indicate that the weight norm of network parameters is not enough to explain the process of grokking, but the importance of finding good subnetworks to describe the transition from memorization to generalization. The implementation code can be accessed via this link: https://github.com/gouki510/Grokking-Tickets.

Phase-shifted remote photoplethysmography for estimating heart rate and blood pressure from facial video

Human health can be critically affected by cardiovascular diseases, such as hypertension, arrhythmias, and stroke. Heart rate and blood pressure are important biometric information for the monitoring of cardiovascular system and early diagnosis of cardiovascular diseases. Existing methods for estimating the heart rate are based on electrocardiography and photoplethyomography, which require contacting the sensor to the skin surface. Moreover, catheter and cuff-based methods for measuring blood pressure cause inconvenience and have limited applicability. Therefore, in this thesis, we propose a vision-based method for estimating the heart rate and blood pressure. This thesis proposes a 2-stage deep learning framework consisting of a dual remote photoplethysmography network (DRP-Net) and bounded blood pressure network (BBP-Net). In the first stage, DRP-Net infers remote photoplethysmography (rPPG) signals for the acral and facial regions, and these phase-shifted rPPG signals are utilized to estimate the heart rate. In the second stage, BBP-Net integrates temporal features and analyzes phase discrepancy between the acral and facial rPPG signals to estimate SBP and DBP values. To improve the accuracy of estimating the heart rate, we employed a data augmentation method based on a frame interpolation model. Moreover, we designed BBP-Net to infer blood pressure within a predefined range by incorporating a scaled sigmoid function. Our method resulted in estimating the heart rate with the mean absolute error (MAE) of 1.78 BPM, reducing the MAE by 34.31 % compared to the recent method, on the MMSE-HR dataset. The MAE for estimating the systolic blood pressure (SBP) and diastolic blood pressure (DBP) were 10.19 mmHg and 7.09 mmHg. On the V4V dataset, the MAE for the heart rate, SBP, and DBP were 3.83 BPM, 13.64 mmHg, and 9.4 mmHg, respectively.

SLUE Phase-2: A Benchmark Suite of Diverse Spoken Language Understanding Tasks

Spoken language understanding (SLU) tasks have been studied for many decades in the speech research community, but have not received as much attention as lower-level tasks like speech and speaker recognition. In particular, there are not nearly as many SLU task benchmarks, and many of the existing ones use data that is not freely available to all researchers. Recent work has begun to introduce such benchmark datasets for several tasks. In this work, we introduce several new annotated SLU benchmark tasks based on freely available speech data, which complement existing benchmarks and address gaps in the SLU evaluation landscape. We contribute four tasks: question answering and summarization involve inference over longer speech sequences; named entity localization addresses the speech-specific task of locating the targeted content in the signal; dialog act classification identifies the function of a given speech utterance. We follow the blueprint of the Spoken Language Understanding Evaluation (SLUE) benchmark suite. In order to facilitate the development of SLU models that leverage the success of pre-trained speech representations, we will be publishing for each task (i) annotations for a relatively small fine-tuning set, (ii) annotated development and test sets, and (iii) baseline models for easy reproducibility and comparisons. In this work, we present the details of data collection and annotation and the performance of the baseline models. We also perform sensitivity analysis of pipeline models' performance (speech recognizer + text model) to the speech recognition accuracy, using more than 20 state-of-the-art speech recognition models.

Meta-information-aware Dual-path Transformer for Differential Diagnosis of Multi-type Pancreatic Lesions in Multi-phase CT

Pancreatic cancer is one of the leading causes of cancer-related death. Accurate detection, segmentation, and differential diagnosis of the full taxonomy of pancreatic lesions, i.e., normal, seven major types of lesions, and other lesions, is critical to aid the clinical decision-making of patient management and treatment. However, existing works focus on segmentation and classification for very specific lesion types (PDAC) or groups. Moreover, none of the previous work considers using lesion prevalence-related non-imaging patient information to assist the differential diagnosis. To this end, we develop a meta-information-aware dual-path transformer and exploit the feasibility of classification and segmentation of the full taxonomy of pancreatic lesions. Specifically, the proposed method consists of a CNN-based segmentation path (S-path) and a transformer-based classification path (C-path). The S-path focuses on initial feature extraction by semantic segmentation using a UNet-based network. The C-path utilizes both the extracted features and meta-information for patient-level classification based on stacks of dual-path transformer blocks that enhance the modeling of global contextual information. A large-scale multi-phase CT dataset of 3,096 patients with pathology-confirmed pancreatic lesion class labels, voxel-wise manual annotations of lesions from radiologists, and patient meta-information, was collected for training and evaluations. Our results show that our method can enable accurate classification and segmentation of the full taxonomy of pancreatic lesions, approaching the accuracy of the radiologist's report and significantly outperforming previous baselines. Results also show that adding the common meta-information, i.e., gender and age, can boost the model's performance, thus demonstrating the importance of meta-information for aiding pancreatic disease diagnosis.

SuPRA: Surgical Phase Recognition and Anticipation for Intra-Operative Planning

Intra-operative recognition of surgical phases holds significant potential for enhancing real-time contextual awareness in the operating room. However, we argue that online recognition, while beneficial, primarily lends itself to post-operative video analysis due to its limited direct impact on the actual surgical decisions and actions during ongoing procedures. In contrast, we contend that the prediction and anticipation of surgical phases are inherently more valuable for intra-operative assistance, as they can meaningfully influence a surgeon's immediate and long-term planning by providing foresight into future steps. To address this gap, we propose a dual approach that simultaneously recognises the current surgical phase and predicts upcoming ones, thus offering comprehensive intra-operative assistance and guidance on the expected remaining workflow. Our novel method, Surgical Phase Recognition and Anticipation (SuPRA), leverages past and current information for accurate intra-operative phase recognition while using future segments for phase prediction. This unified approach challenges conventional frameworks that treat these objectives separately. We have validated SuPRA on two reputed datasets, Cholec80 and AutoLaparo21, where it demonstrated state-of-the-art performance with recognition accuracies of 91.8% and 79.3%, respectively. Additionally, we introduce and evaluate our model using new segment-level evaluation metrics, namely Edit and F1 Overlap scores, for a more temporal assessment of segment classification. In conclusion, SuPRA presents a new multi-task approach that paves the way for improved intra-operative assistance through surgical phase recognition and prediction of future events.

Dynamic-SUPERB Phase-2: A Collaboratively Expanding Benchmark for Measuring the Capabilities of Spoken Language Models with 180 Tasks

Multimodal foundation models, such as Gemini and ChatGPT, have revolutionized human-machine interactions by seamlessly integrating various forms of data. Developing a universal spoken language model that comprehends a wide range of natural language instructions is critical for bridging communication gaps and facilitating more intuitive interactions. However, the absence of a comprehensive evaluation benchmark poses a significant challenge. We present Dynamic-SUPERB Phase-2, an open and evolving benchmark for the comprehensive evaluation of instruction-based universal speech models. Building upon the first generation, this second version incorporates 125 new tasks contributed collaboratively by the global research community, expanding the benchmark to a total of 180 tasks, making it the largest benchmark for speech and audio evaluation. While the first generation of Dynamic-SUPERB was limited to classification tasks, Dynamic-SUPERB Phase-2 broadens its evaluation capabilities by introducing a wide array of novel and diverse tasks, including regression and sequence generation, across speech, music, and environmental audio. Evaluation results indicate that none of the models performed well universally. SALMONN-13B excelled in English ASR, while WavLLM demonstrated high accuracy in emotion recognition, but current models still require further innovations to handle a broader range of tasks. We will soon open-source all task data and the evaluation pipeline.

A Three-Phase Analysis of Synergistic Effects During Co-pyrolysis of Algae and Wood for Biochar Yield Using Machine Learning

Pyrolysis techniques have served to be a groundbreaking technique for effectively utilising natural and man-made biomass products like plastics, wood, crop residue, fruit peels etc. Recent advancements have shown a greater yield of essential products like biochar, bio-oil and other non-condensable gases by blending different biomasses in a certain ratio. This synergy effect of combining two pyrolytic raw materials i.e co-pyrolysis of algae and wood biomass has been systematically studied and grouped into 3 phases in this research paper-kinetic analysis of co-pyrolysis, correlation among proximate and ultimate analysis with bio-char yield and lastly grouping of different weight ratios based on biochar yield up to a certain percentage. Different ML and DL algorithms have been utilized for regression and classification techniques to give a comprehensive overview of the effect of the synergy of two different biomass materials on biochar yield. For the first phase, the best prediction of biochar yield was obtained by using a decision tree regressor with a perfect MSE score of 0.00, followed by a gradient-boosting regressor. The second phase was analyzed using both ML and DL techniques. Within ML, SVR proved to be the most convenient model with an accuracy score of 0.972 with DNN employed for deep learning technique. Finally, for the third phase, binary classification was applied to biochar yield with and without heating rate for biochar yield percentage above and below 40%. The best technique for ML was Support Vector followed by Random forest while ANN was the most suitable Deep Learning Technique.

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.

The X-ray Integral Field Unit at the end of the Athena reformulation phase

The Athena mission entered a redefinition phase in July 2022, driven by the imperative to reduce the mission cost at completion for the European Space Agency below an acceptable target, while maintaining the flagship nature of its science return. This notably called for a complete redesign of the X-ray Integral Field Unit (X-IFU) cryogenic architecture towards a simpler active cooling chain. Passive cooling via successive radiative panels at spacecraft level is now used to provide a 50 K thermal environment to an X-IFU owned cryostat. 4.5 K cooling is achieved via a single remote active cryocooler unit, while a multi-stage Adiabatic Demagnetization Refrigerator ensures heat lift down to the 50 mK required by the detectors. Amidst these changes, the core concept of the readout chain remains robust, employing Transition Edge Sensor microcalorimeters and a SQUID-based Time-Division Multiplexing scheme. Noteworthy is the introduction of a slower pixel. This enables an increase in the multiplexing factor (from 34 to 48) without compromising the instrument energy resolution, hence keeping significant system margins to the new 4 eV resolution requirement. This allows reducing the number of channels by more than a factor two, and thus the resource demands on the system, while keeping a 4' field of view (compared to 5' before). In this article, we will give an overview of this new architecture, before detailing its anticipated performances. Finally, we will present the new X-IFU schedule, with its short term focus on demonstration activities towards a mission adoption in early 2027.

Turbulence modulation in liquid-liquid two-phase Taylor-Couette turbulence

We investigate the coupling effects of the two-phase interface, viscosity ratio, and density ratio of the dispersed phase to the continuous phase on the flow statistics in two-phase Taylor-Couette turbulence at a system Reynolds number of 6000 and a system Weber number of 10 using interface-resolved three-dimensional direct numerical simulations with the volume-of-fluid method. Our study focuses on four different scenarios: neutral droplets, low-viscosity droplets, light droplets, and low-viscosity light droplets. We find that neutral droplets and low-viscosity droplets primarily contribute to drag enhancement through the two-phase interface, while light droplets reduce the system's drag by explicitly reducing Reynolds stress due to the density dependence of Reynolds stress. Additionally, low-viscosity light droplets contribute to greater drag reduction by further reducing momentum transport near the inner cylinder and implicitly reducing Reynolds stress. While interfacial tension enhances turbulent kinetic energy (TKE) transport, drag enhancement is not strongly correlated with TKE transport for both neutral droplets and low-viscosity droplets. Light droplets primarily reduce the production term by diminishing Reynolds stress, whereas the density contrast between the phases boosts TKE transport near the inner wall. Therefore, the reduction in the dissipation rate is predominantly attributed to decreased turbulence production, causing drag reduction. For low-viscosity light droplets, the production term diminishes further, primarily due to their greater reduction in Reynolds stress, while reduced viscosity weakens the density difference's contribution to TKE transport near the inner cylinder, resulting in a more pronounced reduction in the dissipation rate and consequently stronger drag reduction. Our findings provide new insights into the turbulence modulation in two-phase flow.

Splitwise: Efficient generative LLM inference using phase splitting

Recent innovations in generative large language models (LLMs) have made their applications and use-cases ubiquitous. This has led to large-scale deployments of these models, using complex, expensive, and power-hungry AI accelerators, most commonly GPUs. These developments make LLM inference efficiency an important challenge. Based on our extensive characterization, we find that there are two main phases during an LLM inference request: a compute-intensive prompt computation, and a memory-intensive token generation, each with distinct latency, throughput, memory, and power characteristics. Despite state-of-the-art batching and scheduling, the token generation phase underutilizes compute resources. Specifically, unlike compute-intensive prompt computation phases, token generation phases do not require the compute capability of the latest GPUs, and can be run with lower power and cost. With Splitwise, we propose splitting the two phases of a LLM inference request on to separate machines. This allows us to use hardware that is well-suited for each phase, and provision resources independently per phase. However, splitting an inference request across machines requires state transfer from the machine running prompt computation over to the machine generating tokens. We implement and optimize this state transfer using the fast back-plane interconnects available in today's GPU clusters. We use the Splitwise technique to design LLM inference clusters using the same or different types of machines for the prompt computation and token generation phases. Our clusters are optimized for three key objectives: throughput, cost, and power. In particular, we show that we can achieve 1.4x higher throughput at 20% lower cost than current designs. Alternatively, we can achieve 2.35x more throughput with the same cost and power budgets.

Lean Attention: Hardware-Aware Scalable Attention Mechanism for the Decode-Phase of Transformers

Transformer-based models have emerged as one of the most widely used architectures for natural language processing, natural language generation, and image generation. The size of the state-of-the-art models has increased steadily reaching billions of parameters. These huge models are memory hungry and incur significant inference latency even on cutting edge AI-accelerators, such as GPUs. Specifically, the time and memory complexity of the attention operation is quadratic in terms of the total context length, i.e., prompt and output tokens. Thus, several optimizations such as key-value tensor caching and FlashAttention computation have been proposed to deliver the low latency demands of applications relying on such large models. However, these techniques do not cater to the computationally distinct nature of different phases during inference. To that end, we propose LeanAttention, a scalable technique of computing self-attention for the token-generation phase (decode-phase) of decoder-only transformer models. LeanAttention enables scaling the attention mechanism implementation for the challenging case of long context lengths by re-designing the execution flow for the decode-phase. We identify that the associative property of online softmax can be treated as a reduction operation thus allowing us to parallelize the attention computation over these large context lengths. We extend the "stream-K" style reduction of tiled calculation to self-attention to enable parallel computation resulting in an average of 2.6x attention execution speedup over FlashAttention-2 and up to 8.33x speedup for 512k context lengths.

APNet: An All-Frame-Level Neural Vocoder Incorporating Direct Prediction of Amplitude and Phase Spectra

This paper presents a novel neural vocoder named APNet which reconstructs speech waveforms from acoustic features by predicting amplitude and phase spectra directly. The APNet vocoder is composed of an amplitude spectrum predictor (ASP) and a phase spectrum predictor (PSP). The ASP is a residual convolution network which predicts frame-level log amplitude spectra from acoustic features. The PSP also adopts a residual convolution network using acoustic features as input, then passes the output of this network through two parallel linear convolution layers respectively, and finally integrates into a phase calculation formula to estimate frame-level phase spectra. Finally, the outputs of ASP and PSP are combined to reconstruct speech waveforms by inverse short-time Fourier transform (ISTFT). All operations of the ASP and PSP are performed at the frame level. We train the ASP and PSP jointly and define multilevel loss functions based on amplitude mean square error, phase anti-wrapping error, short-time spectral inconsistency error and time domain reconstruction error. Experimental results show that our proposed APNet vocoder achieves an approximately 8x faster inference speed than HiFi-GAN v1 on a CPU due to the all-frame-level operations, while its synthesized speech quality is comparable to HiFi-GAN v1. The synthesized speech quality of the APNet vocoder is also better than that of several equally efficient models. Ablation experiments also confirm that the proposed parallel phase estimation architecture is essential to phase modeling and the proposed loss functions are helpful for improving the synthesized speech quality.

Towards High-Quality and Efficient Speech Bandwidth Extension with Parallel Amplitude and Phase Prediction

Speech bandwidth extension (BWE) refers to widening the frequency bandwidth range of speech signals, enhancing the speech quality towards brighter and fuller. This paper proposes a generative adversarial network (GAN) based BWE model with parallel prediction of Amplitude and Phase spectra, named AP-BWE, which achieves both high-quality and efficient wideband speech waveform generation. The proposed AP-BWE generator is entirely based on convolutional neural networks (CNNs). It features a dual-stream architecture with mutual interaction, where the amplitude stream and the phase stream communicate with each other and respectively extend the high-frequency components from the input narrowband amplitude and phase spectra. To improve the naturalness of the extended speech signals, we employ a multi-period discriminator at the waveform level and design a pair of multi-resolution amplitude and phase discriminators at the spectral level, respectively. Experimental results demonstrate that our proposed AP-BWE achieves state-of-the-art performance in terms of speech quality for BWE tasks targeting sampling rates of both 16 kHz and 48 kHz. In terms of generation efficiency, due to the all-convolutional architecture and all-frame-level operations, the proposed AP-BWE can generate 48 kHz waveform samples 292.3 times faster than real-time on a single RTX 4090 GPU and 18.1 times faster than real-time on a single CPU. Notably, to our knowledge, AP-BWE is the first to achieve the direct extension of the high-frequency phase spectrum, which is beneficial for improving the effectiveness of existing BWE methods.

The KiTS21 Challenge: Automatic segmentation of kidneys, renal tumors, and renal cysts in corticomedullary-phase CT

This paper presents the challenge report for the 2021 Kidney and Kidney Tumor Segmentation Challenge (KiTS21) held in conjunction with the 2021 international conference on Medical Image Computing and Computer Assisted Interventions (MICCAI). KiTS21 is a sequel to its first edition in 2019, and it features a variety of innovations in how the challenge was designed, in addition to a larger dataset. A novel annotation method was used to collect three separate annotations for each region of interest, and these annotations were performed in a fully transparent setting using a web-based annotation tool. Further, the KiTS21 test set was collected from an outside institution, challenging participants to develop methods that generalize well to new populations. Nonetheless, the top-performing teams achieved a significant improvement over the state of the art set in 2019, and this performance is shown to inch ever closer to human-level performance. An in-depth meta-analysis is presented describing which methods were used and how they faired on the leaderboard, as well as the characteristics of which cases generally saw good performance, and which did not. Overall KiTS21 facilitated a significant advancement in the state of the art in kidney tumor segmentation, and provides useful insights that are applicable to the field of semantic segmentation as a whole.

Dense Hebbian neural networks: a replica symmetric picture of supervised learning

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

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.

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.

Gas dynamics around a Jupiter mass planet: II. Chemical evolution of circumplanetary material

In an ongoing effort to understand planet formation the link between the chemistry of the protoplanetary disk and the properties of resulting planets have long been a subject of interest. These connections have generally been made between mature planets and young protoplanetary disks through the carbon-to-oxygen (C/O) ratio. In a rare number of systems, young protoplanets have been found within their natal protoplanetary disks. These systems offer a unique opportunity to directly study the delivery of gas from the protoplanetary disk to the planet. In this work we post-process 3D numerical simulations of an embedded Jupiter-massed planet in its protoplanetary disk to explore the chemical evolution of gas as it flows from the disk to the planet. The relevant dust to this chemical evolution is assumed to be small, co-moving grains with a reduced dust-to-gas ratio indicative of the upper atmosphere of a protoplanetary disk. We find that as the gas enters deep into the planet's gravitational well, it warms significantly (up to sim 800 K), releasing all of the volatile content from the ice phase. This change in phase can influence our understanding of the delivery of volatile species to the atmospheres of giant planets. The primary carbon, oxygen, and sulfur carrying ices: CO_2, H_2O, and H_2S are released into the gas phase and along with the warm gas temperatures near the embedded planets lead to the production of unique species like CS, SO, and SO_2 compared to the protoplanetary disk. We compute the column densities of SO, SO_2, CS, and H_2CS in our model and find that their values are consistent with previous observational studies.

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

S2SNet: A Pretrained Neural Network for Superconductivity Discovery

Superconductivity allows electrical current to flow without any energy loss, and thus making solids superconducting is a grand goal of physics, material science, and electrical engineering. More than 16 Nobel Laureates have been awarded for their contribution to superconductivity research. Superconductors are valuable for sustainable development goals (SDGs), such as climate change mitigation, affordable and clean energy, industry, innovation and infrastructure, and so on. However, a unified physics theory explaining all superconductivity mechanism is still unknown. It is believed that superconductivity is microscopically due to not only molecular compositions but also the geometric crystal structure. Hence a new dataset, S2S, containing both crystal structures and superconducting critical temperature, is built upon SuperCon and Material Project. Based on this new dataset, we propose a novel model, S2SNet, which utilizes the attention mechanism for superconductivity prediction. To overcome the shortage of data, S2SNet is pre-trained on the whole Material Project dataset with Masked-Language Modeling (MLM). S2SNet makes a new state-of-the-art, with out-of-sample accuracy of 92% and Area Under Curve (AUC) of 0.92. To the best of our knowledge, S2SNet is the first work to predict superconductivity with only information of crystal structures. This work is beneficial to superconductivity discovery and further SDGs. Code and datasets are available in https://github.com/zjuKeLiu/S2SNet

Nonequilibrium Phenomena in Driven and Active Coulomb Field Theories

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

Medical Phrase Grounding with Region-Phrase Context Contrastive Alignment

Medical phrase grounding (MPG) aims to locate the most relevant region in a medical image, given a phrase query describing certain medical findings, which is an important task for medical image analysis and radiological diagnosis. However, existing visual grounding methods rely on general visual features for identifying objects in natural images and are not capable of capturing the subtle and specialized features of medical findings, leading to sub-optimal performance in MPG. In this paper, we propose MedRPG, an end-to-end approach for MPG. MedRPG is built on a lightweight vision-language transformer encoder and directly predicts the box coordinates of mentioned medical findings, which can be trained with limited medical data, making it a valuable tool in medical image analysis. To enable MedRPG to locate nuanced medical findings with better region-phrase correspondences, we further propose Tri-attention Context contrastive alignment (TaCo). TaCo seeks context alignment to pull both the features and attention outputs of relevant region-phrase pairs close together while pushing those of irrelevant regions far away. This ensures that the final box prediction depends more on its finding-specific regions and phrases. Experimental results on three MPG datasets demonstrate that our MedRPG outperforms state-of-the-art visual grounding approaches by a large margin. Additionally, the proposed TaCo strategy is effective in enhancing finding localization ability and reducing spurious region-phrase correlations.

Supervised Topical Key Phrase Extraction of News Stories using Crowdsourcing, Light Filtering and Co-reference Normalization

Fast and effective automated indexing is critical for search and personalized services. Key phrases that consist of one or more words and represent the main concepts of the document are often used for the purpose of indexing. In this paper, we investigate the use of additional semantic features and pre-processing steps to improve automatic key phrase extraction. These features include the use of signal words and freebase categories. Some of these features lead to significant improvements in the accuracy of the results. We also experimented with 2 forms of document pre-processing that we call light filtering and co-reference normalization. Light filtering removes sentences from the document, which are judged peripheral to its main content. Co-reference normalization unifies several written forms of the same named entity into a unique form. We also needed a "Gold Standard" - a set of labeled documents for training and evaluation. While the subjective nature of key phrase selection precludes a true "Gold Standard", we used Amazon's Mechanical Turk service to obtain a useful approximation. Our data indicates that the biggest improvements in performance were due to shallow semantic features, news categories, and rhetorical signals (nDCG 78.47% vs. 68.93%). The inclusion of deeper semantic features such as Freebase sub-categories was not beneficial by itself, but in combination with pre-processing, did cause slight improvements in the nDCG scores.