arXiv subjects

Lars Holdijk

Publications and source records attributed to Lars Holdijk.

6 recordsLinked to original sources

arXiv2026

CN101 - A Digital Thermodynamic Computer for Generative AI

Thermodynamic computing is an emerging hardware paradigm, in which stochastic physical dynamics serve as the direct computational primitive. The recent explosion of generative AI has only sharpened the search for alternative approaches to compute, and, as we show in this work, thermodynamic computing turns out to be well suited to this space. An important class of methods realises a function as the stationary expectation of an ergodic stochastic process: the answer is encoded in the time-averaged statistics of an equilibrating trajectory. To date, this equilibration-style class has been formulated exclusively through Langevin dynamics, restricting its implementations to analogue substrates and the engineering challenges those bring. In this work, we propose a substrate-independent formalisation of the equilibration-style formulation, in which the only object of design is the dynamical generator L* of an arbitrary ergodic process. The formalisation makes three hardware-level properties of the formulation explicit: the precision of a result is a knob set by how long the dynamics are run, sample averages decompose across independent trajectories, and dependent stages of a computation operate concurrently rather than serially, a property we call sequential parallelism. We instantiate the formalisation by fabricating a prototype digital thermodynamic computing chip, named CN101, that implements the formulation through discrete accumulator dynamics on standard CMOS using stochastic computing principles. We characterise CN101's success across conventional generative AI workloads in the form of VAEs and flow matching, applied to both image generation and scientific problems. Together, the formalisation and its digital instantiation show that the equilibration-style formulation is substrate-independent, and that its computational properties can be exploited on standard digital hardware.

cs.ET↗

arXiv2026

Robust Stochastic Gradient Posterior Sampling with Lattice Based Discretisation

Stochastic-gradient MCMC methods enable scalable Bayesian posterior sampling but often suffer from sensitivity to minibatch size and gradient noise. To address this, we propose Stochastic Gradient Lattice Random Walk (SGLRW), an extension of the Lattice Random Walk discretization. Unlike conventional Stochastic Gradient Langevin Dynamics (SGLD), SGLRW introduces stochastic noise only through the off-diagonal elements of the update covariance; this yields greater robustness to minibatch size while retaining asymptotic correctness. Furthermore, as comparison we analyze a natural analogue of SGLD utilizing gradient clipping. Experimental validation on Bayesian regression and classification demonstrates that SGLRW remains stable in regimes where SGLD fails, including in the presence of heavy-tailed gradient noise, and matches or improves predictive performance.

stat.ML↗

arXiv2022

Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy barriers separating the states, these transition paths are unlikely to be sampled with standard Molecular Dynamics (MD) simulation. Traditional methods to augment MD with a bias potential to increase the probability of the transition rely on a dimensionality reduction step based on Collective Variables (CVs). Unfortunately, selecting appropriate CVs requires chemical intuition and traditional methods are therefore not always applicable to larger systems. Additionally, when incorrect CVs are used, the bias potential might not be minimal and bias the system along dimensions irrelevant to the transition. Showing a formal relation between the problem of sampling molecular transition paths, the Schr\"odinger bridge problem and stochastic optimal control with neural network policies, we propose a machine learning method for sampling said transitions. Unlike previous non-machine learning approaches our method, named PIPS, does not depend on CVs. We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.

q-bio.BM↗

arXiv2021

Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling method based on Stein's identity for sampling from densities with symmetries. Equivariant SVGD explicitly incorporates symmetry information in a density through equivariant kernels which makes the resultant sampler efficient both in terms of sample complexity and the quality of generated samples. Subsequently, we define equivariant energy based models to model invariant densities that are learned using contrastive divergence. By utilizing our equivariant SVGD for training equivariant EBMs, we propose new ways of improving and scaling up training of energy based models. We apply these equivariant energy models for modelling joint densities in regression and classification tasks for image datasets, many-body particle systems and molecular structure generation.

cs.LG↗

arXiv2019

Robustness of Generalized Learning Vector Quantization Models against Adversarial Attacks

Adversarial attacks and the development of (deep) neural networks robust against them are currently two widely researched topics. The robustness of Learning Vector Quantization (LVQ) models against adversarial attacks has however not yet been studied to the same extent. We therefore present an extensive evaluation of three LVQ models: Generalized LVQ, Generalized Matrix LVQ and Generalized Tangent LVQ. The evaluation suggests that both Generalized LVQ and Generalized Tangent LVQ have a high base robustness, on par with the current state-of-the-art in robust neural network methods. In contrast to this, Generalized Matrix LVQ shows a high susceptibility to adversarial attacks, scoring consistently behind all other models. Additionally, our numerical evaluation indicates that increasing the number of prototypes per class improves the robustness of the models.

cs.LG↗

arXiv2019

Prototype-based Neural Network Layers: Incorporating Vector Quantization

Neural networks currently dominate the machine learning community and they do so for good reasons. Their accuracy on complex tasks such as image classification is unrivaled at the moment and with recent improvements they are reasonably easy to train. Nevertheless, neural networks are lacking robustness and interpretability. Prototype-based vector quantization methods on the other hand are known for being robust and interpretable. For this reason, we propose techniques and strategies to merge both approaches. This contribution will particularly highlight the similarities between them and outline how to construct a prototype-based classification layer for multilayer networks. Additionally, we provide an alternative, prototype-based, approach to the classical convolution operation. Numerical results are not part of this report, instead the focus lays on establishing a strong theoretical framework. By publishing our framework and the respective theoretical considerations and justifications before finalizing our numerical experiments we hope to jump-start the incorporation of prototype-based learning in neural networks and vice versa.

cs.LG↗