Search Results

Documents authored by Buse, Salvador

Document
DOI: 10.4230/LIPIcs.DNA.32.13
Contrastive Hebbian Learning for Multicomponent Liquids

Authors: Yancheng Du, Cameron Chalk, Salvador Buse, Lulu Qian, and Erik Winfree

Published in: LIPIcs, Volume 387, 32nd International Conference on DNA Computing and Molecular Programming (DNA 32) (2026)

Abstract
Molecules with designed interactions can serve as substrates for information processing; demonstrated examples include algorithmic self-assembly of DNA tiles and DNA strand displacement reactions. These two well-established paradigms correspond to solid-phase-like behavior, where spatially structured molecular assemblies grow by crystalline attachment, and gas-phase-like behavior, where a dilute mixture of freely diffusing molecules is governed by mass-action kinetics of reactions. A third paradigm, liquid-liquid phase separation, is a fundamental phenomenon in physical and biological systems, giving rise to membraneless compartments that facilitate complex information processing. Recent studies have shown that multicomponent liquid mixtures described by lattice models are analogous to Boltzmann machines and can implement neural computation. Mean-field models have also suggested a connection to Hopfield networks and illustrated complex decision-making during condensation from a reservoir. As an alternative to previous approaches to train liquid interaction energies using backpropagation through a loss function, here we derive "local" learning rules based on contrastive Hebbian learning that may be more biologically and physically plausible. The trained systems demonstrate a range of computational tasks, including associative recall, linear and nonlinear input-output relations, pattern classification, and spatial phase separation. Our work suggests that the computational potential of liquid-phase molecular systems could be unlocked in real physical systems with local learning rules.
Cite as

Yancheng Du, Cameron Chalk, Salvador Buse, Lulu Qian, and Erik Winfree. Contrastive Hebbian Learning for Multicomponent Liquids. In 32nd International Conference on DNA Computing and Molecular Programming (DNA 32). Leibniz International Proceedings in Informatics (LIPIcs), Volume 387, pp. 13:1-13:27, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2026)

Copy BibTex To Clipboard

@InProceedings{du_et_al:LIPIcs.DNA.32.13,
  author =	{Du, Yancheng and Chalk, Cameron and Buse, Salvador and Qian, Lulu and Winfree, Erik},
  title =	{{Contrastive Hebbian Learning for Multicomponent Liquids}},
  booktitle =	{32nd International Conference on DNA Computing and Molecular Programming (DNA 32)},
  pages =	{13:1--13:27},
  series =	{Leibniz International Proceedings in Informatics (LIPIcs)},
  ISBN =	{978-3-95977-444-4},
  ISSN =	{1868-8969},
  year =	{2026},
  volume =	{387},
  editor =	{Scalise, Dominic and Schweller, Robert},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/LIPIcs.DNA.32.13},
  URN =		{urn:nbn:de:0030-drops-267838},
  doi =		{10.4230/LIPIcs.DNA.32.13},
  annote =	{Keywords: multicomponent liquid, liquid-liquid phase separation, continuous Hopfield network, contrastive Hebbian learning}
}
Document
DOI: 10.4230/LIPIcs.DNA.31.4
Differentiable Programming of Indexed Chemical Reaction Networks and Reaction-Diffusion Systems

Authors: Inhoo Lee, Salvador Buse, and Erik Winfree

Published in: LIPIcs, Volume 347, 31st International Conference on DNA Computing and Molecular Programming (DNA 31) (2025)

Abstract
Many molecular systems are best understood in terms of prototypical species and reactions. The central dogma and related biochemistry are rife with examples: gene i is transcribed into RNA i, which is translated into protein i; kinase n phosphorylates substrate m; protein p dimerizes with protein q. Engineered nucleic acid systems also often have this form: oligonucleotide i hybridizes to complementary oligonucleotide j; signal strand n displaces the output of seesaw gate m; hairpin p triggers the opening of target q. When there are many variants of a small number of prototypes, it can be conceptually cleaner and computationally more efficient to represent the full system in terms of indexed species (e.g. for dimerization, M_p, D_pq) and indexed reactions (M_p + M_q → D_pq). Here, we formalize the Indexed Chemical Reaction Network (ICRN) model and describe a Python software package designed to simulate such systems in the well-mixed and reaction-diffusion settings, using a differentiable programming framework originally developed for large-scale neural network models, taking advantage of GPU acceleration when available. Notably, this framework makes it straightforward to train the models’ initial conditions and rate constants to optimize a target behavior, such as matching experimental data, performing a computation, or exhibiting spatial pattern formation. The natural map of indexed chemical reaction networks onto neural network formalisms provides a tangible yet general perspective for translating concepts and techniques from the theory and practice of neural computation into the design of biomolecular systems.
Cite as

Inhoo Lee, Salvador Buse, and Erik Winfree. Differentiable Programming of Indexed Chemical Reaction Networks and Reaction-Diffusion Systems. In 31st International Conference on DNA Computing and Molecular Programming (DNA 31). Leibniz International Proceedings in Informatics (LIPIcs), Volume 347, pp. 4:1-4:23, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2025)

Copy BibTex To Clipboard

@InProceedings{lee_et_al:LIPIcs.DNA.31.4,
  author =	{Lee, Inhoo and Buse, Salvador and Winfree, Erik},
  title =	{{Differentiable Programming of Indexed Chemical Reaction Networks and Reaction-Diffusion Systems}},
  booktitle =	{31st International Conference on DNA Computing and Molecular Programming (DNA 31)},
  pages =	{4:1--4:23},
  series =	{Leibniz International Proceedings in Informatics (LIPIcs)},
  ISBN =	{978-3-95977-399-7},
  ISSN =	{1868-8969},
  year =	{2025},
  volume =	{347},
  editor =	{Schaeffer, Josie and Zhang, Fei},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/LIPIcs.DNA.31.4},
  URN =		{urn:nbn:de:0030-drops-238534},
  doi =		{10.4230/LIPIcs.DNA.31.4},
  annote =	{Keywords: Differentiable Programming, Chemical Reaction Networks, Reaction-Diffusion Systems}
}
Document
DOI: 10.4230/LIPIcs.DNA.30.5
Learning and Inference in a Lattice Model of Multicomponent Condensates

Authors: Cameron Chalk, Salvador Buse, Krishna Shrinivas, Arvind Murugan, and Erik Winfree

Published in: LIPIcs, Volume 314, 30th International Conference on DNA Computing and Molecular Programming (DNA 30) (2024)

Abstract
Life is chemical intelligence. What is the source of intelligent behavior in molecular systems? Here we illustrate how, in contrast to the common belief that energy use in non-equilibrium reactions is essential, the detailed balance equilibrium properties of multicomponent liquid interactions are sufficient for sophisticated information processing. Our approach derives from the classical Boltzmann machine model for probabilistic neural networks, inheriting key principles such as representing probability distributions via quadratic energy functions, clamping input variables to infer conditional probability distributions, accommodating omnidirectional computation, and learning energy parameters via a wake phase / sleep phase algorithm that performs gradient descent on the relative entropy with respect to the target distribution. While the cubic lattice model of multicomponent liquids is standard, the behaviors exhibited by the trained molecules capture both previously-observed phenomena such as core-shell condensate architectures as well as novel phenomena such as an analog of Hopfield associative memories that perform recall by contact with a patterned surface. Our final example demonstrates equilibrium classification of MNIST digits. Experimental implementation using DNA nanostar liquids is conceptually straightforward.
Cite as

Cameron Chalk, Salvador Buse, Krishna Shrinivas, Arvind Murugan, and Erik Winfree. Learning and Inference in a Lattice Model of Multicomponent Condensates. In 30th International Conference on DNA Computing and Molecular Programming (DNA 30). Leibniz International Proceedings in Informatics (LIPIcs), Volume 314, pp. 5:1-5:24, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2024)

Copy BibTex To Clipboard

@InProceedings{chalk_et_al:LIPIcs.DNA.30.5,
  author =	{Chalk, Cameron and Buse, Salvador and Shrinivas, Krishna and Murugan, Arvind and Winfree, Erik},
  title =	{{Learning and Inference in a Lattice Model of Multicomponent Condensates}},
  booktitle =	{30th International Conference on DNA Computing and Molecular Programming (DNA 30)},
  pages =	{5:1--5:24},
  series =	{Leibniz International Proceedings in Informatics (LIPIcs)},
  ISBN =	{978-3-95977-344-7},
  ISSN =	{1868-8969},
  year =	{2024},
  volume =	{314},
  editor =	{Seki, Shinnosuke and Stewart, Jaimie Marie},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/LIPIcs.DNA.30.5},
  URN =		{urn:nbn:de:0030-drops-209330},
  doi =		{10.4230/LIPIcs.DNA.30.5},
  annote =	{Keywords: multicomponent liquid, Boltzmann machine, phase separation}
}
Any Issues?
X

Feedback on the Current Page

CAPTCHA

Thanks for your feedback!

Feedback submitted to Dagstuhl Publishing

Could not send message

Please try again later or send an E-mail
© 2023-2026 Schloss Dagstuhl – LZI GmbH Schloss Dagstuhl – LZI GmbH About DROPS Imprint Privacy Contact