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Daniel Berger

Publications and source records attributed to Daniel Berger.

At least 19 recordsLinked to original sources

Cascade: Exploiting SLO-Aware latency budget for fair and high goodput LLM inference serving

The reasoning and agentic capabilities of large language models have expanded the range of applications they support, from short interactive exchanges to long, compute-heavy requests. LLM serving platforms today define response-latency service-level objectives, even though requests within the same service can differ by orders of magnitude in input length, generation length, execution cost, and the availability of reusable KV-cache state. As a result, requests governed by the same service level objective have different urgency: after accounting for the time required to execute them, some have substantial latency headroom while others have almost none. We define this headroom---the difference between a request's service level objective and its predicted remaining service time---as its per-request latency budget. We present Cascade, an LLM serving system that estimates and continuously updates this budget from request characteristics, KV-cache state, and current system load. Unlike prior SLO-aware schedulers that use deadlines to govern request ordering alone, Cascade uses a single per-request budget to jointly coordinate request scheduling and KV-cache management across the memory hierarchy. Its scheduler prioritizes requests with little remaining budget, while its memory manager uses the same budget to decide whether non-resident KV state should be restored or prefetched from a deeper tier, retained in HBM, or recomputed. By directing queueing and data-movement overhead toward requests that can absorb it, Cascade improves SLO-satisfied goodput while preserving fairness across heterogeneous request classes. On production traces across three large language models, Cascade improves goodput by up to2.4x and reduces SLO violations by 40% relative to the default vLLM first-come, first-served scheduler.

cs.DC

Vortex Detection from Quantum Data

Quantum solutions to differential equations represent quantum data -- states that contain relevant information about the system's behavior, yet are difficult to analyze. We propose a toolbox for reading out information from such data, where customized quantum circuits enable efficient extraction of flow properties. We concentrate on the process referred to as quantum vortex detection (QVD), where specialized operators are developed for pooling relevant features related to vorticity. Specifically, we propose approaches based on sliding windows and quantum Fourier analysis that provide a separation between patches of the flow field with vortex-type profiles. First, we show how contour-shaped windows can be applied, trained, and analyzed sequentially, providing a clear signal to flag the location of vortices in the flow. Second, we develop a parallel window extraction technique, such that signals from different contour positions are coherently processed to avoid looping over the entire solution mesh. We show that Fourier features can be extracted from the flow field, leading to classification of datasets with vortex-free solutions against those exhibiting Lamb-Oseen vortices. Our work exemplifies a successful case of efficiently extracting value from quantum data and points to the need for developing appropriate quantum data analysis tools that can be trained on them.

quant-ph

Roadmap on Advancements of the FHI-aims Software Package

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any level that follows. The software package FHI-aims has proven to be a game changer for accurate free-energy calculations because of its scalability, numerical precision, and its efficient handling of density functional theory (DFT) with hybrid functionals and van der Waals interactions. It treats molecules, clusters, and extended systems (solids and liquids) on an equal footing. Besides DFT, FHI-aims also includes quantum-chemistry methods, descriptions for excited states and vibrations, and calculations of various types of transport. Recent advancements address the integration of FHI-aims into an increasing number of workflows and various artificial intelligence (AI) methods. This Roadmap describes the state-of-the-art of FHI-aims and advancements that are currently ongoing or planned.

cond-mat.mtrl-sci

Transported Memory Networks accelerating Computational Fluid Dynamics

In recent years, augmentation of differentiable PDE solvers with neural networks has shown promising results, particularly in fluid simulations. However, most approaches rely on convolutional neural networks and custom solvers operating on Cartesian grids with efficient access to cell data. This particular choice poses challenges for industrial-grade solvers that operate on unstructured meshes, where access is restricted to neighboring cells only. In this work, we address this limitation using a novel architecture, named Transported Memory Networks. The architecture draws inspiration from both traditional turbulence models and recurrent neural networks, and it is fully compatible with generic discretizations. Our results show that it is point-wise and statistically comparable to, or improves upon, previous methods in terms of both accuracy and computational efficiency.

cs.LG

Addressing the Readout Problem in Quantum Differential Equation Algorithms with Quantum Scientific Machine Learning

Quantum differential equation solvers aim to prepare solutions as $n$-qubit quantum states over a fine grid of $O(2^n)$ points, surpassing the linear scaling of classical solvers. However, unlike classically stored vectors of solutions, the readout of exact quantum states poses a bottleneck due to the complexity of tomography. Here, we show that the readout problem can be addressed with quantum learning tools where we focus on distilling the relevant features. Treating outputs of quantum differential equation solvers as quantum data, we demonstrate that low-dimensional output can be extracted using a measurement operator adapted to detect relevant features. We apply this quantum scientific machine learning approach to classify solutions for shock wave detection and turbulence modeling in scenarios where data samples come directly from quantum differential equation solvers. We show that the basis chosen for performing analysis greatly impacts classification accuracy. Our work opens up the area of research where quantum machine learning for quantum datasets is inherently required.

quant-ph

Frenet-Serret Frame-based Decomposition for Part Segmentation of 3D Curvilinear Structures

Accurately segmenting 3D curvilinear structures in medical imaging remains challenging due to their complex geometry and the scarcity of diverse, large-scale datasets for algorithm development and evaluation. In this paper, we use dendritic spine segmentation as a case study and address these challenges by introducing a novel Frenet--Serret Frame-based Decomposition, which decomposes 3D curvilinear structures into a globally \( C^2 \) continuous curve that captures the overall shape, and a cylindrical primitive that encodes local geometric properties. This approach leverages Frenet--Serret Frames and arc length parameterization to preserve essential geometric features while reducing representational complexity, facilitating data-efficient learning, improved segmentation accuracy, and generalization on 3D curvilinear structures. To rigorously evaluate our method, we introduce two datasets: CurviSeg, a synthetic dataset for 3D curvilinear structure segmentation that validates our method's key properties, and DenSpineEM, a benchmark for dendritic spine segmentation, which comprises 4,476 manually annotated spines from 70 dendrites across three public electron microscopy datasets, covering multiple brain regions and species. Our experiments on DenSpineEM demonstrate exceptional cross-region and cross-species generalization: models trained on the mouse somatosensory cortex subset achieve 91.9\% Dice, maintaining strong performance in zero-shot segmentation on both mouse visual cortex (94.1\% Dice) and human frontal lobe (81.8\% Dice) subsets. Moreover, we test the generalizability of our method on the IntrA dataset, where it achieves 77.08\% Dice (5.29\% higher than prior arts) on intracranial aneurysm segmentation. These findings demonstrate the potential of our approach for accurately analyzing complex curvilinear structures across diverse medical imaging fields.

cs.CV

Quantum Iterative Methods for Solving Differential Equations with Application to Computational Fluid Dynamics

We propose quantum methods for solving differential equations that are based on a gradual improvement of the solution via an iterative process, and are targeted at applications in fluid dynamics. First, we implement the Jacobi iteration on a quantum register that utilizes a linear combination of unitaries (LCU) approach to store the trajectory information. Second, we extend quantum methods to Gauss-Seidel iterative methods. Additionally, we propose a quantum-suitable resolvent decomposition based on the Woodbury identity. From a technical perspective, we develop and utilize tools for the block encoding of specific matrices as well as their multiplication. We benchmark the approach on paradigmatic fluid dynamics problems. Our results stress that instead of inverting large matrices, one can program quantum computers to perform multigrid-type computations and leverage corresponding advances in scientific computing.

quant-ph

SOL: Safe On-Node Learning in Cloud Platforms

Cloud platforms run many software agents on each server node. These agents manage all aspects of node operation, and in some cases frequently collect data and make decisions. Unfortunately, their behavior is typically based on pre-defined static heuristics or offline analysis; they do not leverage on-node machine learning (ML). In this paper, we first characterize the spectrum of node agents in Azure, and identify the classes of agents that are most likely to benefit from on-node ML. We then propose SOL, an extensible framework for designing ML-based agents that are safe and robust to the range of failure conditions that occur in production. SOL provides a simple API to agent developers and manages the scheduling and running of the agent-specific functions they write. We illustrate the use of SOL by implementing three ML-based agents that manage CPU cores, node power, and memory placement. Our experiments show that (1) ML substantially improves our agents, and (2) SOL ensures that agents operate safely under a variety of failure conditions. We conclude that ML-based agents show significant potential and that SOL can help build them.

cs.OS

Towards a Cost vs. Quality Sweet Spot for Monitoring Networks

Continuously monitoring a wide variety of performance and fault metrics has become a crucial part of operating large-scale datacenter networks. In this work, we ask whether we can reduce the costs to monitor -- in terms of collection, storage and analysis -- by judiciously controlling how much and which measurements we collect. By positing that we can treat almost all measured signals as sampled time-series, we show that we can use signal processing techniques such as the Nyquist-Shannon theorem to avoid wasteful data collection. We show that large savings appear possible by analyzing tens of popular measurements from a production datacenter network. We also discuss the technical challenges that must be solved when applying these techniques in practice.

cs.NI

Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment from MD simulations

This article contains data on structural characterization of the [C2Mim][NTf2] in bulk and in nano-confined environment obtained using MD simulations. These data supplement those presented in the paper Insights from Molecular Dynamics Simulations on Structural Organization and Diffusive Dynamics of an Ionic Liquid at Solid and Vacuum Interfaces, where force fields with three different charge methods and three charge scaling factors were used for the analysis of the IL in the bulk, at the interface with the vacuum and the IL film in the contact with a hydroxylated alumina surface. Here, we present details on the construction of the model systems in an extended detailed methods section. Furthermore, for best parametrization, structural and dynamic properties of IL in different environment are studied with certain features presented herein.

physics.chem-ph

Insights from Molecular Dynamics Simulations on Structural Organization and Diffusive Dynamics of an Ionic Liquid at Solid and Vacuum Interfaces

Hypothesis A prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to gain predictive power of properties that are difficult to extract from experiments. Such a protocol needs to be constructed by benchmarking molecular dynamics simulations against available experiments. Simulations We perform an in-depth study of [C2Mim][NTf2] in bulk, at the vacuum and at hydroxylated alumina surface. Using the charge methods CHelpG, RESP-HF and RESP-B3LYP with charge scaling factors 1.0, 0.9 and 0.85, we search for an optimum non-polarizable force field by benchmarking against self-diffusion coefficients, surface tension, X-ray reflectivity data, and structural data. Findings Benchmarking, which relies on establishing the significance of an appropriate size of the model systems and the length of the simulations, yields RESP-HF/0.9 as the best suited force field for this IL overall. A complete and accurate characterisation of the spatially-dependent internal configurational space and orientation of IL molecules relative to the solid and vacuum interfaces is obtained. Furthermore, the density and mobility of IL ions in the plane parallel and normal to the interfaces is evaluated and the correlation between the stratification and dynamics in the interfacial layers is detectable deep into the films.

cond-mat.mtrl-sci

Detecting Synapse Location and Connectivity by Signed Proximity Estimation and Pruning with Deep Nets

Synaptic connectivity detection is a critical task for neural reconstruction from Electron Microscopy (EM) data. Most of the existing algorithms for synapse detection do not identify the cleft location and direction of connectivity simultaneously. The few methods that computes direction along with contact location have only been demonstrated to work on either dyadic (most common in vertebrate brain) or polyadic (found in fruit fly brain) synapses, but not on both types. In this paper, we present an algorithm to automatically predict the location as well as the direction of both dyadic and polyadic synapses. The proposed algorithm first generates candidate synaptic connections from voxelwise predictions of signed proximity generated by a 3D U-net. A second 3D CNN then prunes the set of candidates to produce the final detection of cleft and connectivity orientation. Experimental results demonstrate that the proposed method outperforms the existing methods for determining synapses in both rodent and fruit fly brain.

cs.CV

Catalytic flow with a coupled Finite Difference -- Lattice Boltzmann scheme

Many catalyst devices employ flow through porous structures, which leads to a complex macroscopic mass and heat transport. To unravel the detailed dynamics of the reactive gas flow, we present an all-encompassing model, consisting of thermal lattice Boltzmann model by Kang et al., used to solve the heat and mass transport in the gas domain, coupled to a finite differences solver for the heat equation in the solid via thermal reactive boundary conditions for a consistent treatment of the reaction enthalpy. The chemical surface reactions are incorporated in a flexible fashion through flux boundary conditions at the gas-solid interface. We scrutinize the thermal FD-LBM by benchmarking the macroscopic transport in the gas domain as well as conservation of the enthalpy across the solid-gas interface. We exemplify the applicability of our model by simulating the reactive gas flow through a microporous material catalysing the so-called water-gas-shift reaction.

physics.flu-dyn

Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces

Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab initio atomistic thermodynamics, we investigate the interplay of bond-making, bond-breaking, and charge-carrier trapping at the corner defects at the (100) surface of a p-doped MgO in thermodynamic equilibrium with an O2 atmosphere. We show that by manipulating the coordination of surface atoms one can drastically change and even reverse the order of stability of reduced versus oxidized surface sites.

cond-mat.mtrl-sci

RhoanaNet Pipeline: Dense Automatic Neural Annotation

Reconstructing a synaptic wiring diagram, or connectome, from electron microscopy (EM) images of brain tissue currently requires many hours of manual annotation or proofreading (Kasthuri and Lichtman, 2010; Lichtman and Sanes, 2008; Seung, 2009). The desire to reconstruct ever larger and more complex networks has pushed the collection of ever larger EM datasets. A cubic millimeter of raw imaging data would take up 1 PB of storage and present an annotation project that would be impractical without relying heavily on automatic segmentation methods. The RhoanaNet image processing pipeline was developed to automatically segment large volumes of EM data and ease the burden of manual proofreading and annotation. Based on (Kaynig et al., 2015), we updated every stage of the software pipeline to provide better throughput performance and higher quality segmentation results. We used state of the art deep learning techniques to generate improved membrane probability maps, and Gala (Nunez-Iglesias et al., 2014) was used to agglomerate 2D segments into 3D objects. We applied the RhoanaNet pipeline to four densely annotated EM datasets, two from mouse cortex, one from cerebellum and one from mouse lateral geniculate nucleus (LGN). All training and test data is made available for benchmark comparisons. The best segmentation results obtained gave $V^\text{Info}_\text{F-score}$ scores of 0.9054 and 09182 for the cortex datasets, 0.9438 for LGN, and 0.9150 for Cerebellum. The RhoanaNet pipeline is open source software. All source code, training data, test data, and annotations for all four benchmark datasets are available at www.rhoana.org.

q-bio.NC

Line defects in Graphene: How doping affects the electronic and mechanical properties

Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local non-hexagonal reconstructions or grain boundaries, however, significantly reduce the tensile strength, but feature exciting electronic properties. Here, we address the properties of line defects in graphene from first-principles on the level of full-potential density-functional theory, and assess doping as one strategy to strengthen such materials. We carefully disentangle the global and local effect of doping by comparing results from the virtual crystal approximation with those from local substitution of chemical species, in order to gain a detailed understanding of the breaking and stabilization mechanisms. We find that n-type doping or local substitution with nitrogen increases the ultimate tensile strength significantly. In particular, it can stabilize the defects beyond the ultimate tensile strength of the pristine material. We therefore propose this as a key strategy to strengthen graphenic materials. Furthermore, we find that doping and/or applying external stress lead to tunable and technologically interesting metal/semi-conductor transitions.

cond-mat.mtrl-sci

First-principles embedded-cluster calculations of the neutral and charged oxygen vacancy at the rutile TiO$_2$(110) surface

We perform full-potential screened-hybrid density-functional theory (DFT) calculations to compare the thermodynamic stability of neutral and charged states of the surface oxygen vacancy at the rutile TiO$_2$(110) surface. Solid-state (QM/MM) embedded-cluster calculations are employed to account for the strong TiO$_2$ polarization response to the charged defect states. Similar to the situation for the bulk O vacancy, the +2 charge state $V_{\rm O}^{2+}$ is found to be energetically by far most stable. Only for Fermi-level positions very close to the conduction band, small polarons may at best be trapped by the charged vacancy. The large decrease of the $V_{\rm O}^{2+}$ formation energy with decreasing Fermi-level position indicates strongly enhanced surface O vacancy concentrations for $p$-doped samples.

cond-mat.mtrl-sci

Limiting Distributions of Scaled Eigensections in a GIT-Setting

Let $\mathrm{\mathbf{L}\rightarrow \mathbf{X}}$ be a base point free $\mathrm{\mathbb{T}=T^{\mathbb{C}}}$-linearized hermitian line bundle over a compact variety $\mathrm{\mathbf{X}}$ where $\mathrm{T=\left(S^{1}\right)^{m}}$ is a real torus. The main focus of this paper is to describe the asymptotic behavior of a certain class of sequences $\mathrm{\left(s_{n}\right)_{n}}$ of $\mathrm{\mathbb{T}}$-eigensections $\mathrm{s_{n}\in H^{0}\left(\mathbf{X},\mathbf{L}^{n}\right)}$ as $\mathrm{n\rightarrow \infty}$, introduced by Shiffman, Tate and Zelditch, and its connection to the geometry of the Hilbert quotient $\mathrm{π\!:\!\bf{X}^{ss}_ξ\rightarrow \mathbf{X}^{ss}_ξ/\!\!/\mathbb{T}}$ where $\mathrm{ξ\in \mathfrak{t}^{*}}$.

math.CV