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Input Space Mode Connectivity in Deep Neural Networks 深度神经网络的输入空间模式连接性
Pub Date : 2024-09-09 DOI: arxiv-2409.05800
Jakub Vrabel, Ori Shem-Ur, Yaron Oz, David Krueger
We extend the concept of loss landscape mode connectivity to the input spaceof deep neural networks. Mode connectivity was originally studied withinparameter space, where it describes the existence of low-loss paths betweendifferent solutions (loss minimizers) obtained through gradient descent. Wepresent theoretical and empirical evidence of its presence in the input spaceof deep networks, thereby highlighting the broader nature of the phenomenon. Weobserve that different input images with similar predictions are generallyconnected, and for trained models, the path tends to be simple, with only asmall deviation from being a linear path. Our methodology utilizes real,interpolated, and synthetic inputs created using the input optimizationtechnique for feature visualization. We conjecture that input space modeconnectivity in high-dimensional spaces is a geometric effect that takes placeeven in untrained models and can be explained through percolation theory. Weexploit mode connectivity to obtain new insights about adversarial examples anddemonstrate its potential for adversarial detection. Additionally, we discussapplications for the interpretability of deep networks.
我们将损失景观模式连通性的概念扩展到深度神经网络的输入空间。模式连通性最初是在参数空间中研究的,它描述了通过梯度下降获得的不同解(损失最小化)之间存在的低损耗路径。我们从理论和经验上证明了它在深度网络输入空间中的存在,从而突出了这一现象更广泛的性质。我们观察到,具有相似预测结果的不同输入图像通常是相互连接的,而且对于训练有素的模型来说,路径趋于简单,只有很小的偏离线性路径。我们的方法利用输入优化技术创建的真实、插值和合成输入进行特征可视化。我们推测,高维空间中的输入空间模态连通性是一种几何效应,即使在未经训练的模型中也会发生,并且可以通过渗滤理论来解释。我们利用模连接性获得了关于对抗性示例的新见解,并展示了其在对抗性检测方面的潜力。此外,我们还讨论了深度网络可解释性的应用。
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引用次数: 0
Systematic Coarse-Graining of Sequence-Dependent Structure and Elasticity of Double-Stranded DNA 系统粗粒化双链 DNA 的序列相关结构和弹性
Pub Date : 2024-09-09 DOI: arxiv-2409.05510
Enrico Skoruppa, Helmut Schiessel
Coarse-grained models have played an important role in the study of thebehavior of DNA at length scales beyond a few hundred base pairs.Traditionally, these models have relied on structurally featureless andsequence-independent approaches, such as the twistable worm-like chain.However, research over the past decade has illuminated the substantial impactof DNA sequence even at the kilo-base pair scale. Several robustsequence-dependent models have emerged, capturing intricacies at the basepair-step level. Here we introduce an analytical framework for coarse-grainingsuch models to the 2 to 40-base pair scale while preserving essentialstructural and dynamical features. These faithful coarse-grainedparametrizations enable efficient sampling of large molecules. Rather thanproviding a fully parametrized model, we present the methodology and softwarenecessary for mapping any base pair-step model to the desired level ofcoarse-graining. Finally, we provide application examples of our method,including estimates of the persistence length and effective torsional stiffnessof DNA in a setup mimicking a freely orbiting tweezer, as well as simulationsof intrinsically helical DNA.
粗粒度模型在研究长度超过几百个碱基对的 DNA 行为中发挥了重要作用。传统上,这些模型依赖于无结构特征和不依赖序列的方法,如扭曲的蠕虫链。然而,过去十年的研究表明,即使在千碱基对尺度上,DNA 序列也会产生重大影响。已经出现了几种依赖于序列的稳健模型,可以捕捉到碱基对级的复杂性。在这里,我们介绍了一种分析框架,用于将此类模型粗粒化到 2 到 40 碱基对尺度,同时保留基本的结构和动力学特征。这些忠实的粗粒度参数化可以实现大分子的高效采样。我们没有提供完全参数化的模型,而是介绍了将任何碱基对步骤模型映射到所需粗粒度水平所需的方法和软件。最后,我们提供了我们的方法的应用实例,包括在模仿自由轨道镊子的设置中对 DNA 的持续长度和有效扭转刚度的估计,以及对本征螺旋 DNA 的模拟。
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引用次数: 0
On the motion of passive and active particles with harmonic and viscous forces 被动和主动粒子在谐波和粘性力作用下的运动
Pub Date : 2024-09-08 DOI: arxiv-2409.05164
Jae-Won Jung, Sung Kyu Seo, Kyungsik Kim
In this paper, we solve the joint probability density for the passive andactive particles with harmonic, viscous, and perturbative forces. Afterderiving the Fokker-Planck equation for a passive and a run-and-tumbleparticles, we approximately get and analyze the solution for the jointdistribution density subject to an exponential correlated Gaussian force inthree kinds of time limit domains. Mean squared displacement (velocity) for aparticle with harmonic and viscous forces behaviors in the form ofsuper-diffusion, consistent with a particle having viscous and perturbativeforces. A passive particle with both harmonic, viscous forces and viscous,perturbative forces has the Gaussian form with mean squared velocity ~t.Particularly, In our case of a run-and-tumble particle, the mean squareddisplacement scales as super-diffusion, while the mean squared velocity has anormal diffusive form.In addition, the kurtosis, the correlation coefficient,and the moment from moment equation are numerically calculated.
本文求解了受谐波力、粘性力和扰动力作用的被动粒子和主动粒子的联合概率密度。在求得被动粒子和运行翻滚粒子的福克-普朗克方程后,我们近似地得到并分析了三种时限域中指数相关高斯力作用下的联合分布密度解。具有谐波力和粘性力的粒子的平均位移平方(速度)表现为超扩散形式,与具有粘性力和扰动力的粒子一致。同时具有谐波粘滞力和粘滞扰动力的被动粒子具有均方速度 ~t 的高斯形式。
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引用次数: 0
Fisher zeroes and dynamical quantum phase transitions for two- and three-dimensional models 二维和三维模型的费雪零点和动态量子相变
Pub Date : 2024-09-07 DOI: arxiv-2409.09070
Tomasz Masłowski, Hadi Cheraghi, Jesko Sirker, Nicholas Sedlmayr
Dynamical quantum phase transitions are non-analyticities in a dynamical freeenergy (or return rate) which occur at critical times. Although extensivelystudied in one dimension, the exact nature of the non-analyticity in two andthree dimensions has not yet been fully investigated. In two dimensions,results so far are known only for relatively simple two-band models. Here westudy the general two- and three-dimensional cases. We establish the relationbetween the non-analyticities in different dimensions, and the functional formof the densities of Fisher zeroes. We show, in particular, that entering acritical region where the density of Fisher zeroes is non-zero at the boundaryalways leads to a cusp in the derivative of the return rate while the returnrate itself is smooth. We illustrate our results by obtaining analyticalresults for exemplary two- and three-dimensional models.
动态量子相变是在临界时间发生的动态自由能(或返回率)的非分析性。虽然在一维中已经进行了广泛研究,但在二维和三维中,非解析性的确切性质尚未得到充分研究。在二维中,迄今为止只知道相对简单的二带模型的结果。在此,我们研究了一般的二维和三维情况。我们建立了不同维度的非解析性与费雪零点密度的函数形式之间的关系。我们特别表明,进入费雪零点密度在边界处非零的临界区域,总是会导致收益率导数出现尖点,而收益率本身是平稳的。我们通过对示例性二维和三维模型的分析结果来说明我们的结果。
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引用次数: 0
Re-entrant percolation in active Brownian hard disks 活动布朗硬盘中的再入流渗流
Pub Date : 2024-09-06 DOI: arxiv-2409.04141
David Evans, José Martín-Roca, Nathan J. Harmer, Chantal Valeriani, Mark A. Miller
Non-equilibrium clustering and percolation are investigated in an archetypalmodel of two-dimensional active matter using dynamic simulations ofself-propelled Brownian repulsive particles. We concentrate on the single-phaseregion up to moderate levels of activity, before motility-induced phaseseparation (MIPS) sets in. Weak activity promotes cluster formation and lowersthe percolation threshold. However, driving the system further out ofequilibrium partly reverses this effect, resulting in a minimum in the criticaldensity for the formation of system-spanning clusters and introducingre-entrant percolation as a function of activity in the pre-MIPS regime. Thisnon-monotonic behaviour arises from competition between activity-inducedeffective attraction (which eventually leads to MIPS) and activity-drivencluster breakup. Using an adapted iterative Boltzmann inversion method, wederive effective potentials to map weakly active cases onto a passive(equilibrium) model with conservative attraction, which can be characterised byMonte Carlo simulations. While the active and passive systems have practicallyidentical radial distribution functions, we find decisive differences inhigher-order structural correlations, to which the percolation threshold ishighly sensitive. For sufficiently strong activity, no passive pairwisepotential can reproduce the radial distribution function of the active system.
通过对布朗斥力自走粒子的动态模拟,研究了二维活性物质原型模型中的非平衡聚类和渗流。在运动诱导相分离(MIPS)出现之前,我们主要研究中等活动水平以下的单相区域。弱活动会促进簇的形成并降低渗流阈值。然而,将系统进一步推离平衡状态会部分地逆转这种效应,导致形成系统跨簇的临界密度达到最小值,并在 MIPS 前机制中引入作为活动函数的后中心渗滤。这种非单调行为源于活动诱导的有效吸引(最终导致 MIPS)和活动驱动的集群破裂之间的竞争。我们采用一种经过调整的迭代玻尔兹曼反演方法,利用有效势能将弱活动情况映射到具有保守吸引力的被动(平衡)模型上,并通过蒙特卡洛模拟对其进行表征。虽然活跃系统和被动系统的径向分布函数实际上是相同的,但我们发现高阶结构相关性存在决定性差异,而渗流阈值对此高度敏感。对于足够强的活动,没有一个被动配对位势能再现活动系统的径向分布函数。
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引用次数: 0
Time-dependent dynamics in the confined lattice Lorentz gas 约束晶格洛伦兹气体中随时间变化的动力学
Pub Date : 2024-09-06 DOI: arxiv-2409.04293
A. Squarcini, A. Tinti, P. Illien, O. Bénichou, T. Franosch
We study a lattice model describing the non-equilibrium dynamics emergingfrom the pulling of a tracer particle through a disordered medium occupied byrandomly placed obstacles. The model is considered in a restricted geometrypertinent for the investigation of confinement-induced effects. We analyticallyderive exact results for the characteristic function of the moments valid tofirst order in the obstacle density. By calculating the velocityautocorrelation function and its long-time tail we find that already inequilibrium the system exhibits a dimensional crossover. This picture isfurther confirmed by the approach of the drift velocity to its terminal valueattained in the non-equilibrium stationary state. At large times the diffusioncoefficient is affected by both the driving and confinement in a way that wequantify analytically. The force-induced diffusion coefficient dependssensitively on the presence of confinement. The latter is able to modifyqualitatively the non-analytic behavior in the force observed for the unboundedmodel. We then examine the fluctuations of the tracer particle along thedriving force. We show that in the intermediate regime superdiffusive anomalousbehavior persists even in the presence of confinement. Stochastic simulationsare employed in order to test the validity of the analytic results, exact tofirst order in the obstacle density and valid for arbitrary force andconfinement.
我们研究了一个晶格模型,该模型描述了示踪粒子在被随机放置的障碍物占据的无序介质中拉动时产生的非平衡动力学。该模型是在一个限制性几何平台上考虑的,用于研究约束诱导效应。我们通过分析得出了在障碍物密度一阶有效的力矩特征函数的精确结果。通过计算速度自相关函数及其长时尾,我们发现在不平衡状态下,系统会出现维度交叉。漂移速度接近其在非平衡静止状态下获得的终值进一步证实了这一点。在较大的时间内,扩散系数同时受到驱动力和束缚力的影响,我们可以对其进行分析计算。力诱导的扩散系数敏感地依赖于约束的存在。后者能够定性地改变在无约束模型中观察到的力的非分析行为。然后,我们研究了示踪粒子沿驱动力的波动。结果表明,即使在存在约束的情况下,超扩散反常行为在中间体系中仍然存在。为了检验分析结果的有效性,我们采用了随机模拟,这些结果在障碍物密度的一阶精确,并且对任意力和约束都有效。
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引用次数: 0
Stochastic Scovil--Schulz-DuBois machine 随机斯科维尔--舒尔茨--杜博瓦机器
Pub Date : 2024-09-06 DOI: arxiv-2409.04124
Fei Liu
Three types of cycles are identified in the quantum jump trajectories of theScovil--Schulz-DuBois (SSDB) machine: an R-cycle as refrigeration, an H-cycleas a heat engine, and an N-cycle in which the machine is neutral. Thestatistics of these cycles are investigated via a semi-Markov process method.We find that in the large time limit, whether the machine operates as a heatengine or refrigerator depends on a balance between the numbers of R-cycles andH-cycles per unit time. Further increasing the hot bath temperature above acertain threshold does not increase the machine's power output. The cause isthat, in this situation, the N-cycle has a greater probability than the H-cycleand R-cycle. Although the SSDB machine operates by randomly switching amongthese three cycles, at the level of a single quantum jump trajectory, its heatengine efficiency and the refrigerator's coefficient of performance remainconstant.
我们在斯科维尔-舒尔茨-杜博瓦(SSDB)机器的量子跃迁轨迹中发现了三种循环:作为制冷机的 R 循环、作为热机的 H 循环以及机器处于中性状态的 N 循环。我们发现,在大时限内,机器是作为热机还是制冷机运行取决于单位时间内 R 循环和 H 循环数量之间的平衡。将热浴温度进一步提高到某个临界值以上并不会增加机器的功率输出。原因在于,在这种情况下,N 循环的概率大于 H 循环和 R 循环。虽然 SSDB 机器通过在这三个循环之间随机切换来运行,但在单量子跃迁轨迹的水平上,其热机效率和冰箱的性能系数保持不变。
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引用次数: 0
Stripe and Bubble Ratchets on Asymmetric Substrates 不对称基底上的条纹和气泡棘轮
Pub Date : 2024-09-06 DOI: arxiv-2409.04646
C. Reichhardt, C. J. O. Reichhardt
We show that a variety of non-monotonic ratchet effects can arise whenmesophase pattern-forming systems, which exhibit anisotropic crystal, stripe,and bubble reigmes, are coupled to one-dimensional asymmetric substrates underac driving. The ratchet efficiency and direction of motion are determined byhow well the mesophase morphology matches the periodicity and shape of thesubstrate. Stripe states that are aligned with the substrate show the strongestratchet effect, large bubbles show a weak ratchet effect, and small bubblesshow a strong ratchet effect with an efficiency that oscillates as a functionof ac drive amplitude. We map out the different rectification phases as afunction of the pattern morphology, substrate strength, and ac drive amplitude.The pronounced ratchet effects that we observe in some regimes can be exploitedfor pattern sorting in hard and soft matter systems.
我们的研究表明,介相图案形成系统具有各向异性的晶体、条纹和气泡等特征,当介相图案形成系统与一维非对称基底在棘轮驱动下耦合时,会产生各种非单调棘轮效应。介相形态与基底周期性和形状的匹配程度决定了棘轮效率和运动方向。与基底对齐的条纹态表现出最强的棘轮效应,大气泡表现出弱棘轮效应,而小气泡则表现出强棘轮效应,其效率随交流驱动振幅而摆动。我们将不同的整流阶段描绘成图案形态、基底强度和交流驱动振幅的函数。我们在某些情况下观察到的明显棘轮效应可用于软硬物质系统中的图案分选。
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引用次数: 0
Quantum percolation on Lieb Lattices 利布网格上的量子渗流
Pub Date : 2024-09-06 DOI: arxiv-2409.04610
W. S. Oliveira, J. Pimentel de Lima, Raimundo R. dos Santos
We theoretically investigate the quantum percolation problem on Lieb latticesin two and three dimensions. We study the statistics of the energy levelsthrough random matrix theory, and determine the level spacing distributions,which, with the aid of finite-size scaling theory, allows us to obtain accurateestimates for site- and bond percolation thresholds and critical exponents. Ournumerical investigation supports a localized-delocalized transition at finitethreshold, which decreases as the average coordination number increases. Theprecise determination of the localization length exponent enables us to claimthat quantum site- and bond-percolation problems on Lieb lattices belong to thesame universality class, with $nu$ decreasing with lattice dimensionality,$d$, similarly to the classical percolation problem. In addition, we verifythat, in three dimensions, quantum percolation on Lieb lattices belongs to thesame universality class as the Anderson impurity model.
我们从理论上研究了二维和三维李布晶格上的量子渗流问题。我们通过随机矩阵理论研究了能级的统计量,并确定了能级间距分布,借助有限尺寸缩放理论,我们得到了位点和键渗流阈值以及临界指数的精确估计值。数值研究支持在有限阈值处的局域化-非局域化转变,这种转变随着平均配位数的增加而减小。对局域化长度指数的精确测定使我们能够宣称,Lieb 晶格上的量子位点和键渗滤问题属于同一个普遍性类别,其$nu$随晶格维数$d$的减小而减小,与经典渗滤问题类似。此外,我们还验证了在三维空间中,利布晶格上的量子渗滤与安德森杂质模型属于同一普遍性类别。
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引用次数: 0
Collective chemotactic search strategies 集体趋化搜索策略
Pub Date : 2024-09-06 DOI: arxiv-2409.04262
Hugues Meyer, Adam Wysocki, Heiko Rieger
Chemotactic biological or synthetic active matter shapes its environment bysecretions of chemical signals from its self-propelled constituents, likecells, organisms or active colloids. From this indirect interaction collectiveeffects emerge that can be used by the agents to migrate collectively, to formpatterns or to search for targets more efficiently. Here, we use paradigmaticmodels to study the efficiency of collective search strategies of a large groupof motile agents that release during their movement repulsive auto-chemotacticsignals forcing them to move away from high concentrations of the chemicalclue. We show that the repulsive chemotactic interactions improve the searchefficiency, measured by the mean first passage time to find a randomly locatedtarget, by orders of magnitude depending on the strength of the chemotacticcoupling. The mechanism for this improvement relies on two factors: theincrease of the persistence length due to the agent's self-interaction with itsown chemotactic field and by a more homogeneous distribution of the agents dueto their mutual indirect repulsion mediated by the chemotactic field. Atstronger particle-field coupling the chemotactic searchers self-organize intoballistically moving bands reminiscent of search-chains formed in search andrescue operations, whose efficiency depends on the number of searchersinvolved. Our comprehensive study of collective search strategies of largegroups of interacting agents is not only relevant for chemotactic active matterbut also for a wide range of fields like ethology, information engineering,robotics, and social engineering.
趋化性生物或合成活性物质通过从其自我推进的成分(如细胞、生物体或活性胶体)中分泌化学信号来塑造其环境。在这种间接的相互作用中会产生集体效应,这些效应可被活性物质用于集体迁移、形成模式或更有效地搜索目标。在这里,我们使用范例模型研究了一大群运动物剂的集体搜索策略的效率,这些物剂在运动过程中会释放斥性自化学反应信号,迫使它们远离高浓度的化学线索。我们的研究表明,排斥性趋化相互作用提高了搜索效率,该效率以找到随机定位目标的平均首次通过时间来衡量,其数量级取决于趋化耦合的强度。这种改进的机制依赖于两个因素:一是药剂与自身趋化场的自我相互作用导致持续时间的增加;二是药剂在趋化场介导的相互间接排斥作用下分布更加均匀。在更强的粒子场耦合作用下,趋化搜索者自组织成球状移动带,让人联想到搜救行动中形成的搜索链,其效率取决于参与搜索者的数量。我们对大群相互作用分子的集体搜索策略的全面研究不仅与趋化活性物质有关,而且与人种学、信息工程、机器人学和社会工程等广泛领域有关。
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引用次数: 0
期刊
arXiv - PHYS - Statistical Mechanics
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