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The Biology of Information. not a keynote , but a footnote on molecular biology and computation for Rocky 1. Walter Fontana (SFI) walter@santafe.edu www.santafe.edu/~walter. 1. What can computation do for biology?. The computer as…. The computer as…. … theater : simulation, modeling.

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Not a keynote but a footnote on molecular biology and computation for rocky 1

The Biology of Information

not a keynote, but a footnote

on molecular biology and computation

for Rocky 1

Walter Fontana (SFI)

walter@santafe.edu

www.santafe.edu/~walter




Not a keynote but a footnote on molecular biology and computation for rocky 1

The computer as…

…theater: simulation, modeling


Not a keynote but a footnote on molecular biology and computation for rocky 1

The computer as…

…theater: simulation, modeling

…library: organization of data


Not a keynote but a footnote on molecular biology and computation for rocky 1

The computer as…

…theater: simulation, modeling

…library: organization of data

…instrument: component of experiment


Not a keynote but a footnote on molecular biology and computation for rocky 1

The computer as…

…theater: simulation, modeling

…library: organization of data

…instrument: component of experiment

…mathematical structure: formalism, concept





Not a keynote but a footnote on molecular biology and computation for rocky 1

1. What can computation do for biology?

2. What can biology do for computation?


Not a keynote but a footnote on molecular biology and computation for rocky 1

molecular biology and computer science

are in the same conceptual business

…but this business is not well understood on both sides…


Not a keynote but a footnote on molecular biology and computation for rocky 1

molecular biology and computer science

are in the same conceptual business

at the very minimum,

both are about structure-behavior relations,

i.e. configuring systems to engender specific behaviors

(both are “programming” disciplines)



Not a keynote but a footnote on molecular biology and computation for rocky 1

a self-printing program in C

now imagine these expressions…

… decaying

… moving around

… combining into imprecise meanings

… acting in parallel & asynchronously


Not a keynote but a footnote on molecular biology and computation for rocky 1

a self-printing program

now imagine these expressions…

… decaying

… moving around

… combining into imprecise meanings

… acting in parallel & asynchronously


Not a keynote but a footnote on molecular biology and computation for rocky 1

molecular components…

…turn over (from minutes to days)

…are stochastic (wrt reliability, number, recognition)

…move around (passively or actively) in a structured medium

…communicate through physical contact

…control each other’s state and production

…are often multipurpose

…need (lots of) energy for communication

…operate concurrently


Not a keynote but a footnote on molecular biology and computation for rocky 1

…which entails a suite of issues, such as:

turn-over of components:

persistence of identity

memory of state

stochasticity (in number and recognition):

error-correction

massive concurrency:

emergence of determinism

coordination & conflicts

communication by contact:

energy transport

control of space


Not a keynote but a footnote on molecular biology and computation for rocky 1

biological architectures emphasize systemic capacities, e.g.

plasticity

reconfigurability

compressibility

evolvability (neutrality, modularity)

autonomy

self

robustness

all these features are desirable but absent in present day

computer architectures


Not a keynote but a footnote on molecular biology and computation for rocky 1

+

IS NOT

in biological systems, there is no

“software running on something” !


Not a keynote but a footnote on molecular biology and computation for rocky 1

in (theoretical) computer science…

…physical hardware is distinct from software.

(in CS, “machine” is a software notion)

in biology…

…physical hardware is software


Not a keynote but a footnote on molecular biology and computation for rocky 1

analog

digital

physics

  • dynamics

  • stochasticity

  • effective potentials

  • combinatorial trajectories & path-dependency

  • discrete events & concurrency

  • object syntax and action

  • generative interactions

logic


Not a keynote but a footnote on molecular biology and computation for rocky 1

A few vignettes where the gap between

computation and molecular biology is widest


Not a keynote but a footnote on molecular biology and computation for rocky 1

Who is the “signal”??

enzyme kinetics 101




Not a keynote but a footnote on molecular biology and computation for rocky 1

multiple phosphorylation in proteins (phosphobase*)

W.Fontana & D.Krakauer (in progress)

* A. Kreegipuu, N. Blom, S. Brunak. Nucleic Acids Research (1998/1999)






Not a keynote but a footnote on molecular biology and computation for rocky 1

multiple phosphorylation as pulse filter width

W.Fontana & D.Krakauer (in progress)


Not a keynote but a footnote on molecular biology and computation for rocky 1

multiple phosphorylation as pulse filter width

W.Fontana & D.Krakauer (in preparation)


Not a keynote but a footnote on molecular biology and computation for rocky 1

memory and “ width checkpoints”






Not a keynote but a footnote on molecular biology and computation for rocky 1

stochastic treatment of a P-chain with symmetric feedback width

large J:

Bose-Einstein

|relative average diff of end states|

small J:

Curie-Weiss

n/signal

S.Krishnamurty,

E.Smith,

D.Krakauer,

W.Fontana

Phys.Rev.Lett., submitted

second order phase-transition


Not a keynote but a footnote on molecular biology and computation for rocky 1

idea by M.Sasai & P.Wolynes: width

stochastic master equation

introduce operator algebra

familiar from many-body physics

obtain equivalent equation,

now approachable by techniques

from many-body physics

effective potentials


Not a keynote but a footnote on molecular biology and computation for rocky 1

Sasai & Wolynes: “Stochastic gene expression as a many-body problem”,

PNAS, 100, 2374–2379 (2003).

the landscape concept made formally precise

by techniques from statistical mechanics

“programming” becomes sculpting an appropriate landscape.

But how?

(cf. neural networks, spin glasses…)

the landscape metaphor: from energy landscapes in proteins to

epigenetic landscapes a la Waddington



Not a keynote but a footnote on molecular biology and computation for rocky 1

allosteric many-body problem”,

RNA gates

Milan N Stojanovic, Darko Stefanovic. Nature Biotechnology, 21, 1069 - 1074 (2003)


Not a keynote but a footnote on molecular biology and computation for rocky 1

Why do we need the formalisms of computation and logic? many-body problem”,

a pragmatic answer: more tools get us to more places.

a deeper answer: because we need a theory of (molecular) objects.

Why?

Because the pressing (and recalcitrant) question for biology is not

only to describe the behavior of a particular system, but to understand

that system in the context of the possible, i.e. of what is evolutionarily

accessible to it.

Stated differently: we must eventually be able to reason about novelty.

We never can do so within the confines of dynamical systems,

because dynamical systems do not represent the objects they are made of.

(Remember chemistry.)


Not a keynote but a footnote on molecular biology and computation for rocky 1

we need an abstraction of chemistry many-body problem”,

in which

molecules are interacting computational agents

the grand challenge:

describe a system with an expression that is

at the same time

a program to “run” that system

AND

a formula to reason about it abstractly.


Not a keynote but a footnote on molecular biology and computation for rocky 1

A brief coda where the gap between many-body problem”,

computation and molecular biology is closing

(at the formal language end)


Not a keynote but a footnote on molecular biology and computation for rocky 1

Old notion of computation many-body problem”,

no interaction with the “environment”

function

output

input

semantics: input-output relation


Not a keynote but a footnote on molecular biology and computation for rocky 1

New notion of computation many-body problem”,

interaction with the “environment”

process

semantics: potential sequences of interaction events


Not a keynote but a footnote on molecular biology and computation for rocky 1

computation many-body problem”,:

function

process

analogy in physics:

closed system

open system

equilibrium

normal form

main concern:

organization


Not a keynote but a footnote on molecular biology and computation for rocky 1

Theory of concurrency, Process algebra many-body problem”,

Robin Milner, Communicating and Mobile Systems: the p-calculus, Cambridge (1999)


Not a keynote but a footnote on molecular biology and computation for rocky 1

The many-body problem”,p-calculus (Milner, Walker and Parrow 1989)

  • a program specifies a network of interacting processes

  • processes are defined by their potential communication activities

  • communication occurs on complementary channels, identified by names

  • message content: channel name


Not a keynote but a footnote on molecular biology and computation for rocky 1

Aviv Regev, Ehud Shapiro, Corrado Priami many-body problem”,, and others:

application of concurrency / process algebras

to molecular signal transduction

A.Regev & E.Shapiro, Nature, 419, 343 (2000), Concepts


Not a keynote but a footnote on molecular biology and computation for rocky 1

concurrency theory, what for? many-body problem”,

at worst:

  • tool for agent-based simulation

at its most hopeful:

  • tool for agent-based simulation based on a theory of the agents


Not a keynote but a footnote on molecular biology and computation for rocky 1

a lingua franca? many-body problem”,


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