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Diffusion Models as Evolutionary Algorithms.txt
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Diffusion Models as Evolutionary Algorithms
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Submitted on 3 Oct 2024 (v1), last revised 4 Oct 2024 (this version, v2)]
Diffusion Models are Evolutionary Algorithms
Yanbo Zhang, Benedikt Hartl, Hananel Hazan, Michael Levin
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In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion models inherently perform evolutionary algorithms, naturally encompassing selection, mutation, and reproductive isolation. Building on this equivalence, we propose the Diffusion Evolution method: an evolutionary algorithm utilizing iterative denoising -- as originally introduced in the context of diffusion models -- to heuristically refine solutions in parameter spaces. Unlike traditional approaches, Diffusion Evolution efficiently identifies multiple optimal solutions and outperforms prominent mainstream evolutionary algorithms. Furthermore, leveraging advanced concepts from diffusion models, namely latent space diffusion and accelerated sampling, we introduce Latent Space Diffusion Evolution, which finds solutions for evolutionary tasks in high-dimensional complex parameter space while significantly reducing computational steps. This parallel between diffusion and evolution not only bridges two different fields but also opens new avenues for mutual enhancement, raising questions about open-ended evolution and potentially utilizing non-Gaussian or discrete diffusion models in the context of Diffusion Evolution.
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This paper by Yanbo Zhang, Benedikt Hartl, Hananel Hazan, and Michael Levin presents a novel perspective by positing that diffusion models, a type of generative model in machine learning, can be understood as evolutionary algorithms. The authors draw parallels between the process of evolution, which they equate with a denoising process, and diffusion, essentially the reverse of this. They mathematically demonstrate that diffusion models perform tasks akin to natural evolutionary processes���selection, mutation, and reproductive isolation.
Building on this foundational idea, the authors introduce "Diffusion Evolution," an evolutionary algorithm that employs the denoising techniques used in diffusion models to refine solutions iteratively in various parameter spaces. This method differs from traditional evolutionary algorithms in that it can efficiently find multiple optimal solutions and demonstrates superior performance compared to well-known evolutionary algorithms.
Moreover, they expand on this concept with "Latent Space Diffusion Evolution," which utilizes latent space techniques and accelerated sampling from diffusion models to solve evolutionary tasks in complex, high-dimensional parameter spaces more efficiently. This innovative approach not only shows the practical utility of blending diffusion models with evolutionary algorithms but also suggests a new area of exploration in machine learning and biology. This integration could lead to advancements in understanding open-ended evolution and the application of non-traditional diffusion model techniques, such as non-Gaussian or discrete models, in evolutionary computation.
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At least two processes in the biosphere have been recognized as capable of generalizing and driving novelty: evolution,
a slow variational process adapting organisms across generations to their environment through natural selection (Dar-
win, 1959; Dawkins, 2016); and learning, a faster transformational process allowing individuals to acquire knowledge
and generalize from subjective experience during their lifetime (Kandel, 2013; Courville et al., 2006; Holland, 2000;
Dayan & Abbott, 2001). These processes are intensively studied in distinct domains within artif i cial intelligence. Rel-
atively recent work has started drawing parallels between the seemingly unrelated processes of evolution and learn-
ing (Watson & Levin, 2023; Vanchurin et al., 2022; Levin, 2022; Watson et al., 2022; Kouvaris et al., 2017; Watson &
Szathm�� ary, 2016; Watson et al., 2016; Power et al., 2015; Hinton et al., 1987; Baldwin, 2018). We here argue that in
particular diffusion models (Sohl-Dickstein et al., 2015; Song et al., 2020b; Ho et al., 2020; Song et al., 2020a), where
generative models trained to sample data points through incremental stochastic denoising, can be understood through
evolutionary processes, inherently performing natural selection, mutation, and reproductive isolation.
Theevolutionaryprocessisfundamentaltobiology, enablingspeciestoadapttochangingenvironmentsthroughmech-
anisms like natural selection, genetic mutations, and hybridizations (Rosen, 1991; Wagner, 2015; Dawkins, 1996); this
adaptive process introduces variations in organisms��� genetic codes over time, leading to well-adapted and diverse indi-
viduals (Mitchell & Cheney, 2024; Levin, 2023; Gould, 2002; Dennett, 1995; Smith & Szathmary, 1997; Szathm�� ary,
2015). Evolutionary algorithms utilize such biologically inspired variational principles to iteratively ref i ne sets of nu-
merical parameters that encode potential solutions to often rugged objective functions (Vikhar, 2016; Golberg, 1989;
Figure 1: Evolution processes can be viewed as the inverse process of diffusion, where higher i tness populations
(red points) have higher i nal probability density. The initially unstructured parameters are iteratively ref i ned towards
high-f i tness regions in parameter space.
Grefenstette, 1993; Holland, 1992). In another side, recent breakthroughs in deep learning have led to the development
of diffusion models���generative algorithms that iteratively ref i ne data points to sample novel yet realistic data follow-
ing complex target distributions: models like Stable Diffusion (Rombach et al., 2022) and Sora (Brooks et al., 2024)
demonstrate remarkable realism and diversity in generating image and video. Notably, both evolutionary processes
and diffusion models rely on iterative ref i nements that combine directed updates with undirected perturbations: in evo-
lution, random genetic mutations introduce diversity while natural selection guides populations toward greater i tness,
and in diffusion models, random noise is progressively transformed into meaningful data through learned denoising
steps that steer samples toward the target distribution. This parallel raises fundamental questions: Are the mechanisms
underlying evolution and diffusion models fundamentally connected? Is this similarity merely an analogy, or does it
ref l ect a deeper mathematical duality between biological evolution and generative modeling?
To answer these questions, we i rst examine evolution from the perspective of generative models. By considering
populations of species in the biosphere, the variational evolution process can also be viewed as a transformation of
distributions: the distributions of genotypes and phenotypes. Over evolutionary time scales, mutation and selection
collectively alter the shape of these distributions. Similarly, many biologically inspired evolutionary algorithms can
be understood in the same way: they optimize an objective function by maintaining- and iteratively changing a large
population���s distribution. In fact, this concept is central to most generative models: the transformation of distri-
butions. Variational Autoencoders (VAEs) (Kingma, 2013), Generative Adversarial Networks (GANs) (Goodfellow
et al., 2014), and diffusion models are all trained to transform simple distributions, typically standard Gaussian distri-
butions, into complex distributions, where the samples represent meaningful images, videos, or audio, etc.
On the other hand, diffusion models can also be viewed from an evolutionary perspective. As a generative model,
diffusion models transform Gaussian distributions in an iterative manner into complex, structured data-points that
resemble the training data distribution. During the training phase, the data points are corrupted by adding noise, and
the model is trained to predict this added noise to reverse the process. In the sampling phase, starting with Gaussian-
distributed data points, the model iteratively denoises to incrementally ref i ne the data point samples. By considering
noise-free samples as the desired outcome, such a directed denoising can be interpreted as directed selection, with each
step introducing slight noise, akin to mutations. Together, this resembles an evolutionary process (Fields & Levin,
2020), where evolution is formulated as a combination of deterministic dynamics and stochastic mutations within the
framework of non-equilibrium thermodynamics (Ao, 2005). This aligns with recent ideas that interpret the genome
as a latent space parameterization of a multi-scale generative morphogenetic process, rather than a direct blueprint of
an organism (Mitchell & Cheney, 2024; Hartl et al., 2024; Levin, 2023; Gould, 2002). If one were to revert the time
direction of an evolutionary process, the evolved population of potentially highly correlated high-f i tness solutions will
dissolve gradually, i.e., step by step and thus akin to the forward process in diffusion models, into the respectively
chosen initial distribution, typically Gaussian noise, see Figure 1.
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The passage you provided delves into the intriguing parallels between biological evolution and machine learning processes, particularly diffusion models, suggesting a deeper connection between these two domains that extends beyond mere analogy to potentially a mathematical duality.
In biology, evolution operates through mechanisms like natural selection, genetic mutations, and hybridizations, creating a dynamic environment where species continually adapt and diversify. Evolutionary algorithms in computational sciences mirror this process by using similar principles to iteratively refine numerical parameters within complex objective functions, capturing the essence of biological adaptation in algorithmic form.
The text also discusses the concept of diffusion models in machine learning, which are a class of generative models that incrementally refine data points through stochastic denoising steps to produce realistic and complex data outputs, akin to natural selection and mutation in evolution. This iterative refinement, whether in evolutionary biology or in diffusion models, involves a combination of directed updates (guided changes towards a goal, like fitness in evolution or accuracy in data generation) and undirected perturbations (random mutations or noise introduction).
By conceptualizing evolution as a transformation of distributions over time ��� in genotypes and phenotypes ��� and comparing it to how diffusion models transform Gaussian noise into structured data points, the text proposes a framework where both processes are seen as analogous transformations of distributions. This raises fundamental questions about whether the underlying mechanisms of evolution and generative modeling are not just similar but are connected through deeper mathematical structures, potentially viewing the genome itself as a type of latent space that encodes a generative process.
This interdisciplinary insight could redefine how we perceive the relationship between biological processes and artificial intelligence, suggesting that methods used in one field could be adapted to advance the other, offering a richer understanding of both evolutionary biology and machine learning.
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Driven by this intuition, we conduct a thorough investigation into the connections between diffusion models and evo-
lutionary algorithms, discovering that these seemingly disparate concepts share the same mathematical foundations.
This insight leads to a novel approach, the Diffusion Evolution algorithm, which directly utilizes the framework of
diffusion models to perform evolutionary optimization. This can be obtained by inverting the diffusion process with
2
Diffusion Models are Evolutionary AlgorithmsA PREPRINT
the Bayesian method. Our analytical study of Diffusion Evolution reveals promising parallels to biological evolution,
naturally incorporating concepts such as mutation, hybridization, and even reproductive isolation.
Thisequivalenceprovidesanewwayofimprovingevolutionaryalgorithmsandhasthepotentialtounifydevelopments
in both i elds. By mimicking biological evolution, evolutionary algorithms have shown promising results in numeri-
cal optimization, particularly for tasks that cannot be effectively trained using gradient-based methods (Wang et al.,
2024; Goodfellow et al., 2014). These algorithms thus excel in exploring complex, rugged search spaces and i nding
globally optimal or near-optimal solutions (Ho & Salimans, 2022; Hansen, 2016; Hansen & Ostermeier, 2001; Sehnke
et al., 2010). While the biosphere exhibits extreme diversity in lifeforms of life, many evolutionary strategies, such as
CMA-ES (Hansen & Ostermeier, 2001), and PEPG (Sehnke et al., 2010), struggle to i nd diverse solutions (Lehman &
Stanley, 2011). However, our Diffusion Evolution Algorithm offers a new approach. By naturally incorporating muta-
tion, hybridization, and reproductive isolation, our algorithm can discover diverse solutions, mirroring the diversity of
the biosphere, rather than converging on a single solution as is often the case with traditional methods. Since this par-
allel between diffusion and evolution exists naturally and not imposed by our design, the two i elds ��� diffusion models
and evolutionary computing ��� can mutually benef i t from each other. For example, we demonstrate that the concept of
latent diffusion (Rombach et al., 2022) and accelerated sampling (Nichol & Dhariwal, 2021) can signif i cantly improve
the performance of our Diffusion Evolution algorithm.
In the following sections, we will i rst review evolutionary strategies and diffusion models, introduce the mathematical
connection between diffusion and evolution, and propose the Diffusion Evolution algorithm. Then, we will quanti-
tatively compare our algorithm to conventional evolutionary strategies, demonstrating its capability to i nd multiple
solutions, solve complex evolutionary tasks, and incorporate developments from diffusion model literature. Finally,
the emerging connections between the derived algorithm and evolution will be discussed, along with the potentials
of this i nding and the limitations of our algorithm. Codes are available on Github2and the package can be installed
via pip install diffevo.
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The excerpt discusses a significant breakthrough in computational science, where the authors have established mathematical connections between diffusion models and evolutionary algorithms. This connection has culminated in the creation of a novel algorithm termed "Diffusion Evolution," which leverages the principles of diffusion models to enhance evolutionary optimization.
Key Insights from the Diffusion Evolution Algorithm:
Mathematical Foundations:
The authors have identified that diffusion models and evolutionary algorithms share underlying mathematical principles. By reversing the diffusion process using Bayesian methods, they can apply these models directly to evolutionary optimization.
Biological Analogies:
The Diffusion Evolution algorithm naturally integrates biological concepts such as mutation, hybridization, and reproductive isolation���core elements of natural evolution. This integration suggests that the algorithm not only optimizes but does so in a way that mirrors the biological processes that result in diversity and adaptation.
Improving Evolutionary Algorithms:
Traditional evolutionary algorithms are adept at navigating complex, rugged search spaces to find globally optimal or near-optimal solutions. However, they often fall short in generating a diversity of solutions. The Diffusion Evolution algorithm, by contrast, is designed to discover a variety of solutions, reflecting the diversity found in nature. This is particularly advantageous for tasks where diversity is beneficial or required.
Technological Synergies:
The implementation of advanced diffusion model techniques like latent diffusion and accelerated sampling within the Diffusion Evolution algorithm demonstrates significant performance improvements. These techniques help the algorithm not only in finding diverse solutions but also in doing so more efficiently.
Broader Implications and Availability:
The potential of the Diffusion Evolution algorithm to unify and advance both fields of diffusion models and evolutionary computing is substantial. The availability of this algorithm as open-source code on GitHub and its installable package via pip further democratizes access to this advanced tool, allowing a wider community of researchers and practitioners to explore and expand upon this innovative approach.
Future Directions:
The paper promises to delve deeper into these insights, offering a quantitative comparison of the Diffusion Evolution algorithm against conventional evolutionary strategies. This comparison will likely highlight the algorithm's strengths in handling complex evolutionary tasks and finding multiple optimal solutions. Additionally, the discussion will extend to the broader implications of these findings, exploring both the potential benefits and the limitations of the Diffusion Evolution algorithm.
This approach represents a significant step forward in computational methods, potentially leading to more robust, efficient, and diverse optimization strategies that better mimic and leverage the complexities of natural processes.
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2.1Evolutionary Algorithms
The principles of evolution extend far beyond biology, offering exceptional utility in addressing complex systems
across various domains. The key components of this process ��� imperfect replication with heredity and i tness-based
selection ��� are suff i ciently general to i nd applications in diverse i elds. In computer and data science, for instance,
evolutionary algorithms play a crucial role in optimization (Vikhar, 2016; Grefenstette, 1993; Golberg, 1989; Holland,
1992). These heuristic numerical techniques, such as CMA-ES (Hansen & Ostermeier, 2001) and PEPG (Sehnke
et al., 2010), maintain and optimize a population of genotypic parameters over successive generations through opera-
tions inspired by biological evolution, such as selection of the i ttest, reproduction, genetic crossover, and mutations.
The goal is to gradually adapt the parameters of the entire population so individual genotypic samples, or short indi-
viduals, perform well when evaluated against an objective- or i tness function. These algorithms harness the dynamics
of evolutionary biology to discover optimal or near-optimal solutions within vast, complex, and otherwise intractable
parameter spaces. The evaluated numerical i tness score of an individual correlates with its probability of survival and
reproduction, ensuring that individuals with superior traits have a greater chance of passing their genetic information
to the next generation, thus driving the evolutionary process toward more optimal solutions. Such approaches are par-
ticularly valuable when heuristic solutions are needed to explore extensive combinatorial and permutation landscapes.
Some evolutionary algorithms operate with discrete, others with continuous sets of parameters. Here, we focus on the
latter since discrete tasks can be seen as a subcategory of continuous tasks. Typically, the structure of the parameter
space is apriori unknown. Thus, the initial population is often sampled from a standard normal distribution. As
explained above, this initially random population is successively adapted and ref i ned, generation by generation, to
perform well on an arbitrary objective function. Thus, initially randomized parameters are successively varied by
evolutionary algorithms into sets of potentially highly structured parameters that perform well on the specif i ed task,
eventually (and hopefully) solving the designated problem by optimizing the objective function. Thus, evolutionary
algorithms can be understood as generative models that use heuristic information about already explored regions of
the parameter space (at least from the previous generation) to sample potentially better-adapted offspring individuals
for the next generation (c.f., CMA-ES (Hansen et al., 2003), etc.).
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This section details the foundational principles and functioning of evolutionary algorithms (EAs), a significant branch of computer science and optimization theory that leverages evolutionary principles such as selection, reproduction, genetic crossover, and mutations to solve complex optimization problems.
Key Concepts of Evolutionary Algorithms:
Imperfect Replication with Heredity and Fitness-based Selection:
Imperfect Replication:
In EAs, individuals in a population are subjected to random changes or mutations, mirroring biological evolution's imperfect replication of genetic material.
Heredity:
Traits of individuals (solutions) can be passed down to the next generation, ensuring continuity and the potential to refine good traits over time.
Fitness-based Selection:
Individuals are selected for reproduction based on their fitness, which is typically measured by how well they perform against a predefined objective function. This ensures that better-performing individuals are more likely to contribute to the gene pool of the next generation.
Optimization in Complex Parameter Spaces:
EAs are particularly effective in navigating large, complex, and rugged parameter spaces where traditional gradient-based optimization methods might struggle. By simulating the process of natural selection, EAs incrementally improve the solutions, adapting the population towards optimal or near-optimal parameters.
Generative Model Perspective:
Viewing EAs as generative models highlights their capability to transform an initial random distribution of parameters (typically Gaussian) into a structured set of parameters that perform well on a specific task. This transformation is achieved through iterative selection and mutation processes, refining the population based on the information gathered from previous generations.
Application Across Continuous and Discrete Tasks:
While the discussion primarily focuses on EAs that operate with continuous parameters, the underlying principles also apply to discrete parameter sets. The adaptability of EAs to both types of parameters showcases their versatility and broad applicability across different types of optimization problems.
Heuristic Sampling and Solution Exploration:
EAs use heuristic information from previously explored regions of the parameter space to guide the generation of new individuals. This approach allows EAs to "learn" from past iterations and potentially skip over less promising areas of the search space, making them efficient for exploring extensive combinatorial landscapes.
Significance and Utility:
EAs are indispensable for problems where the parameter space is vast and not well-understood beforehand. Their ability to iteratively refine and adapt a population of solutions makes them particularly useful for tasks where precise analytical solutions are infeasible or where the landscape of possible solutions is too complex for direct enumeration. This adaptability extends their utility beyond theoretical applications, making them practical tools in fields like robotics, artificial intelligence, and complex system design, where dynamic solution adaptation is crucial.
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2.2Diffusion Models
Diffusion models, such as denoising diffusion probabilistic models (DDPM) (Ho et al., 2020) and denoising diffusion
implicit models (DDIM) (Song et al., 2020a), have shown promising generative capabilities in image, video, and even
neural network parameters (Wang et al., 2024). Similar to other generative approaches such as GANs, VAEs, and
l ow-based models (Dinh et al., 2016; Chen et al., 2019), diffusion models transform a simple distribution, often a
Gaussian, into a more complex distribution that captures the characteristics of the training data. Diffusion models
achieve this, in contrast to other techniques, via iterative denoising steps, progressively transforming noisy data into
less noisy (Raya & Ambrogioni, 2024), more coherent representations (Sohl-Dickstein et al., 2015).
Diffusion models have two phases: diffusion and denoising. In the diffusion phase, we are blending original data
points with some extent of Gaussian noise. Specif i cally, let x0be the original data point and xTbe the fully distorted
data, then the process of diffusion can be represented as:
xt= ����� tx0+ ���1 ��� �� t��, (1)
where the amount of total noise �� ��� N(0,I) added to the data x0at time step t ��� [0,T] is controlled by ��tthat
is
monotonously decreasing from ��0= 1 to ��T��� 0. Thus, while x0represents
the original data, xTwill consist entirely
of Gaussian noise. To restore such diffused data, a predictive model, typically a neural network ����with parameter ��, is
trained to predict the added total noise given xtand time step t. Thus, diffusion models can be trained by minimizing
the loss function: L = Ex0���pdata,�����N(0,I)�������(�����tx0+ ���1 ��� �� t��,t) ��� �����2,
(2)
where pdatais the distribution of training data. So, conventionally, diffusion models are understood as predicting the
added noise during the diffusion process.
In the denoising phase, starting with a noisy pattern, the trained models are used to iteratively remove the predicted
noise from current data: from xT��� N(0,I), iteratively ref i ne to xT���1,xT���2,
..., until x0. In the DDIM framework,
this sampling process is given by:
xt���1= ����� t���1 ?x
t��� ���1 ��� �� t����(xt,t)
����� t ?
+ q 1 ��� ��t���1��� ��2
t����(xt,t) + ��tw, (3)
where ��tcontrols the amount of noise w ��� N(0,I) added during the denoising phase. Notably, the schedule of ��t
and ��twill both affect the denoising process and can be chosen based on our needs under the DDIM framework.
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Overview of Diffusion Models
Diffusion models, particularly denoising diffusion probabilistic models (DDPM) and denoising diffusion implicit models (DDIM), represent a class of generative models that have demonstrated significant capabilities in generating complex data outputs such as images, videos, and even neural network parameters.
How Diffusion Models Work
1. Diffusion Phase:
Initial Process:
The model begins with a data point
x
0
x_0
x
0
���
(the original data) and progressively adds Gaussian noise over a series of time steps
t
t
t
, leading to a fully distorted data point
x
T
x_T
x
T
���
that essentially consists of random noise.
Mathematical Representation:
This process can be expressed mathematically as:
x
t
=
��
t
x
0
+
1
���
��
t
��
x_t = \sqrt{\alpha_t} x_0 + \sqrt{1 - \alpha_t} \epsilon
x
t
���
=
��
t
���
���
x
0
���
+
1
���
��
t
���
���
��
Here,
��
���
N
(
0
,
I
)
\epsilon \sim N(0, I)
��
���
N
(
0
,
I
)
is the Gaussian noise, and
��
t
\alpha_t
��
t
���
is a coefficient that decreases monotonically from 1 to a value close to 0 across the diffusion steps, controlling the extent of noise added.
2. Training Phase:
Noise Prediction:
A neural network
��
��
\epsilon_\theta
��
��
���
with parameters
��
\theta
��
is trained to predict the noise added at each diffusion step. This is achieved by minimizing the loss function:
L
=
E
x
0
���
p
d
a
t
a
,
��
���
N
(
0
,
I
)
���
��
��
(
��
t
x
0
+
1
���
��
t
��
,
t
)
���
��
���
2
L = \mathbb{E}_{x_0 \sim p_{data}, \epsilon \sim N(0, I)} \|\epsilon_\theta(\sqrt{\alpha_t}x_0 + \sqrt{1 - \alpha_t}\epsilon, t) - \epsilon\|^2
L
=
E
x
0
���
���
p
d
a
t
a
���
,
��
���
N
(
0
,
I
)
���
���
��
��
���
(
��
t
���
���
x
0
���
+
1
���
��
t
���
���
��
,
t
)
���
��
���
2
Goal of Training:
The training essentially teaches the model to reverse the noise addition process by predicting the exact noise that was added during the diffusion phase.
3. Denoising Phase:
Noise Removal:
Starting with the noisy data
x
T
x_T
x
T
���
, the model uses the trained
��
��
\epsilon_\theta
��
��
���
to iteratively remove the predicted noise, effectively reversing the diffusion process step-by-step until it reaches
x
0
x_0
x
0
���
.
DDIM Sampling Process:
In the DDIM framework, this denoising is detailed by:
x
t
���
1
=
��
t
���
1
(
x
t
���
1
���
��
t
��
��
(
x
t
,
t
)
)
+
1
���
��
t
���
1
���
��
t
2
��
��
(
x
t
,
t
)
+
��
t
w
x_{t-1} = \sqrt{\alpha_{t-1}} \left(x_t - \sqrt{1 - \alpha_t} \epsilon_\theta(x_t, t)\right) + \sqrt{1 - \alpha_{t-1} - \sigma_t^2} \epsilon_\theta(x_t, t) + \sigma_t w
x
t
���
1
���
=
��
t
���
1
���
���
(
x
t
���
���
1
���
��
t
���
���
��
��
���
(
x
t
���
,
t
)
)
+
1
���
��
t
���
1
���
���
��
t
2
���
���
��
��
���
(
x
t
���
,
t
)
+
��
t
���
w
where
��
t
\sigma_t
��
t
���
controls additional noise
w
���
N
(
0
,
I
)
w \sim N(0, I)
w
���
N
(
0
,
I
)
added during denoising, and both
��
t
\alpha_t
��
t
���
and
��
t
\sigma_t
��
t
���
can be adjusted to fine-tune the denoising process.
Key Characteristics
Iterative Transformation:
Similar to how biological evolution operates through small, iterative changes, diffusion models transform a simple Gaussian distribution into a complex data distribution by iteratively refining the data through a series of small, noise-adjusting steps.
Generative Power:
These models rival other generative approaches like GANs and VAEs by achieving high-quality generative results without directly competing frameworks (e.g., discriminator in GANs).
Application Flexibility:
The ability to generate a variety of complex outputs makes diffusion models highly versatile and applicable across different domains, including creative industries and neural network design.
This sophisticated mechanism of operation positions diffusion models as powerful tools in the realm of artificial intelligence, capable of creating highly realistic and diverse outputs that closely mimic the distribution of the training data.
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3Diffusion Models are Evolutionary Algorithms
Similar to the relationship between energy and probability in statistical physics, evolutionary tasks can be connected
to generative tasks by mapping i tness to probability density: higher i tness correspond to higher probability density.
Thus, given a i tness function f : Rn��� R, we can choose a mapping g to transform f into a probability density
function p(x) = g[f(x)]. When aligning the denoising process in a diffusion model with evolution, we want x0to
follow this density function, i.e., p(x0= x) = g[f(x)]. This requires an alternative view of diffusion models (Song
et al., 2020a): diffusion models are directly predicting the original data samples from noisy versions of those samples
at each time step. Given the diffusion process xt= ����� tx0+ ���1 ��� ��
t��, we can easily express x0in terms of the
noise ��, and vise versa: x0= xt��� ���1 ��� �� t��
����� t
, and �� = xt��� ����� tx0
���1 ��� ��
t
.(4)
In diffusion models, the error �� between x0and xtis estimated by a neural network, i.e., �� �� = ����(xt,t). Thus,
Equation 4 provides an estimation �� x0for x0when replacing �� with �� ��. Hence, the sampling process of DDIM (Song
et al., 2020a) in Equation 3 can be written as:
xt���1= ����� t���1�� x0+ q 1 ��� ��t���1��� ��2
t�� �� + ��tw. (5)
Since the denoising step in diffusion models requires an estimation of x0, we need to derive it from sample xtand the
corresponding i tness f(xt). The estimation of x0can be expressed as a conditional probability p(x0= x|xt).
Using
Bayes��� theorem and p(x0= x) = g[f(x)] yields:
p(x0= x|xt)
= p(xt|x0= x)p(x0= x)
p(xt)
= p(xt|x)g[f(x)]
p(xt)
Figure 2: (a) Diffusion Evolution on a two-peak i tness landscape: Populations near the two black crosses have higher
i tness. For each individual xt(black star), its target �� x0(red dots) is estimated by a weighted average of its neighbors
(c.f., dots within the blue disks, respectively); larger dot-size indicates higher i tness. The individual then moves a
small step forward to the next generation (orange star). As evolution proceeds, the neighbor range decreases, making
the process increasingly sensitive to local neighbors, thereby enabling global competition originally, while ���zooming
in��� eventually to balance between optimization and diversity. (b) By mapping the population to a 1-D space (dashed
lines in (a)), we track the progress of Diffusion Evolution. As evolution progresses, both the individuals (gray) and
their estimated origins (red) move closer to the targets (vertical dashed lines), with the estimated origins advancing
faster.
Here, p(xt|x0= x) can be computed easily by N(xt; ����� tx,1 ��� ��t)
given the design of the diffusion process, i.e.,
xt= ����� tx0+ ���1 ��� �� t��. Since deep-learning-based diffusion models are trained using mean squared error loss, the
x0estimated by xtshould be the weighted average of the sample x. Hence, the estimation function of x0becomes:
�� x0(xt,��,t) = X
x���peval(x) p(x0= x|xt)x
= X
x���peval(x)
g[f(x)]N(xt; ����� tx,1 ��� ��t)
p(xt)
x,(7)
where pevalis the evaluation sample on which we compute the i tness score, here given by the current population
Xt= (x(1)
t ,x(2)
t ,...,x(N)
t ) of N individuals. Equation 7 has three weight terms: The i rst term g[f(x)] assigns larger
weights to high i tness samples. For each individual sample xt, the second Gaussian term N(xt; ����� tx,1�����t)
makes
each individual only sensitive to local neighbors of evaluation samples. The third term p(xt) is a normalization term.
Hence, �� x0can be simplif i ed to:
�� x0(xt,��,t) =
1
Z X
x���Xt g[f(x)]N(xt; ����� tx,1 ��� ��t)x,
(8)
where Z is the normalization term:
Z = p(xt) = X
x���Xt
g[f(x)]N(xt; ����� tx,1 ��� ��t). (9)
When substituting Equation 8 into Equation 4 we can express �� �� as:
�� ��(xt,��,t) = xt��� ����� t�� x0(xt,��,t)
���1 ��� ��
t
,(10)
and by substituting Equations 8 and 10 into Equation 5, we derive the Diffusion Evolution algorithm: an evolutionary
optimization procedure based on iterative error correction akin to diffusion models but without relying on neural networks at all, see psuedocode in Algorithm 1. When inversely denoising, i.e., evolving from time T to 0, while
increasing ��t, the Gaussian term will initially have a high variance, allowing global exploration at i rst. As the
evolution progresses, the variance decreases giving lower weight to distant populations, leads to local optimization
(exploitation). This locality avoids global competition and thus allows the algorithm to maintain multiple solutions
and balance exploration and exploitation. Hence, the denoising process of diffusion models can be understood in an
evolutionary manner: �� x0represents an estimated high i tness parameter target. In contrast, xtcan be considered as
diffused from high-f i tness points. The i rst two parts in the Equation 5, i.e., ����� t���1�� x0+ p1
��� �� t���1��� ��2t�� ��, guide the
individuals towards high i tness targets in small steps. The last part of Equation 5, ��tw, is an integral part of diffusion
models, perturbing the parameters in our approach similarly to random mutations.
Algorithm 1 Diffusion Evolution
Require: Population size N, parameter dimension D, i tness function f, density mapping function g, total evolution
steps T, diffusion schedule �� and noise schedule ��.
Ensure: ��0��� 1,��T��� 0,��i> ��i+1,0 < ��i< ���1 ��� �� i���1
1:[x(1)
T ,x(2)
T ,...,x(N)
T ] ��� N(0,IN��D)���
Initialize population
2:for t ��� [T,T ��� 1,...,2] do
3:���i ��� [1,N] : Qi��� g[f(x(i)
t )]��� Fitness are cached to avoid repeated evaluations
4:for i ��� [1,2,..,N] do
5:Z ���
N X
j=1 QjN(x(i)
t ; ����� tx
(j)
t ,1 ��� ��t)
6:�� x0���
1
Z
N X
j=1 QjN(x(i)
t ; ����� tx
(j)
t ,1 ��� ��t)x(j)
t
7:w ��� N(0,ID)
8:x(i)
t���1��� ����� t���1�� x0+ p1
��� �� t���1��� ��2t
x(i)
t ��� ����� t�� x0
���1 ��� ��
t
+ ��tw
9:end for
10:end for
Figure 2(a) demonstrates the detailed evolution process of a multi-target i tness landscape with two optimal points (see
exact i tness function in Appendix A.1). Each individual estimates high i tness parameter targets and moves toward
the target along with random mutations. The high i tness parameter targets �� x0are estimated based on their neighbors���
i tness scores (neighbors are shown in blue disks, with radius proportional to ���1 ��� �� t/�����t). The estimated targets �� x0
typically move faster than the individuals while the individuals are successively ref i ned in small denoising steps in the
direction of the estimated target, see Figure 2(b). Although �� x0often have higher i tness, they exhibit lower diversity,
hence they are used as a goal of individuals instead of the i nal solutions. This difference also provides l exibility in
balancing between more greedy and more diverse strategies.
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This detailed description of the "Diffusion Evolution" algorithm illustrates a sophisticated blend of concepts from both diffusion models and evolutionary algorithms, aiming to harness the strengths of both approaches in an innovative optimization procedure. Here���s a breakdown of the key elements and functionalities of the Diffusion Evolution algorithm:
Integration of Diffusion and Evolutionary Concepts:
Fitness and Probability Mapping
:
The algorithm begins by mapping a fitness function
f
:
R
n
���
R
f: \mathbb{R}^n \rightarrow \mathbb{R}
f
:
R
n
���
R
into a probability density function
p
(
x
)
p(x)
p
(
x
)
, where higher fitness corresponds to higher probability density. This mapping is pivotal because it allows the algorithm to treat the optimization landscape as a probability distribution, facilitating a natural integration of evolutionary and diffusion strategies.
Reversing the Diffusion Process
:
By adapting the denoising phase of diffusion models, the algorithm estimates
x
0
x_0
x
0
���
from
x
t
x_t
x
t
���
using the relationship defined in the diffusion models. This mirrors the evolutionary concept of selecting for higher fitness, as
x
0
x_0
x
0
���
represents a less noisy (or higher fitness) version of
x
t
x_t
x
t
���
.
Iterative Refinement
:
The main operational phase of the algorithm involves iterative error correction that does not rely on neural networks, focusing instead on direct estimations from noisy data points to their cleaner versions. Each iteration involves recalculating fitness, adjusting noise levels, and refining individual data points to gradually approach optimal solutions.
Algorithmic Steps:
Initialization
:
The population is initialized with parameters sampled from a Gaussian distribution, representing a wide exploration of the solution space.
Evolutionary Dynamics
:
For each iteration, the algorithm:
Computes the fitness of each individual.
Estimates the "less noisy" version of each data point
x
0
x_0
x
0
���
based on its current state
x
t
x_t
x
t
���
and the calculated fitness, effectively using the diffusion model���s framework to estimate a target state that corresponds to higher fitness.
Updates each individual by moving it towards its estimated target, incorporating a controlled amount of noise to maintain diversity and prevent premature convergence.
Balance Between Exploration and Exploitation
:
Early in the process, higher noise levels allow for global exploration of the fitness landscape. As the process advances, the noise is gradually reduced, increasing the weight given to local optimizations and enabling fine-tuning towards the fitness peaks.
Outcome and Diversity
:
The algorithm aims not just to find optimal solutions but also to maintain a diversity of solutions. This is crucial in complex optimization tasks where multiple valid solutions exist, and preserving diversity can provide a broader range of options or insights.
Visualization and Practical Implications:
The process is visualized in a schematic where individual trajectories in the fitness landscape are tracked, showing how each individual estimates high fitness targets and adjusts accordingly. This visualization emphasizes the algorithm's ability to adaptively refine solutions, drawing parallels to natural evolutionary processes.
The "Diffusion Evolution" algorithm represents a significant theoretical advancement by blending generative and evolutionary techniques. It leverages the conceptual strengths of both fields to address complex optimization problems more effectively, offering a novel tool that could potentially lead to breakthroughs in areas where traditional methods struggle, particularly in dealing with high-dimensional and multimodal fitness landscapes.
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4.2Latent Space Diffusion Evolution
050100150200250300350400450500
time steps
2
4
6
8
10
generation
(a) evolution process
2.55.07.510.0
generation
10
100
300
500
reward
(b) reward comparison
DiffEvo
latent DiffEvo
latent DiffEvo (high-d)
CMA-ES
max reward 101
z1
1.0
0.5
0.0
0.5
1.0
z2
(c) latent space comparison 202
x
(d) cart-pole system
Figure 4: (a) Evolution process of cart-pole tasks: The horizontal axis shows survival time, and the vertical axis
represents generations. Each point indicates an individual���s state (pole angle, cart shift) at their i nal survival. As the
evolution progresses, more systems survive longer and achieve higher rewards. (b) Compared to the original Diffusion
Evolution (blue), the Latent Space Diffusion Evolution method (red) signif i cantly improves performance, while the
CMA-ES method (gray) fails to i nd any solutions in given generations. This latent method can even be applied to
high-dimensional spaces (orange), with dimensions as high as 17,410. Each experiment is repeated 100 times, with
medians (solid lines) and ranges (25% to 75% quantile) shown as shaded areas. (c) Projecting the parameters of
individuals into a latent space visualize their diversity. The same projection is used for all results (except for the high-
dimensional experiment, which has a different original dimension). This indicates enhanced diversity with the latent
method. (d) The cart-pole system consists of a pole hinged to the cart. And the controller balances the pole by moving
the cart left or right. 8
Diffusion Models are Evolutionary AlgorithmsA PREPRINT
Here, we apply the Diffusion Evolution method to reinforcement learning tasks (Sutton & Barto, 1998) to train neural
networks for controlling the cart-pole system (Barto et al., 1983). This system has a cart with a hinged pole, and the
objective is to keep the pole vertical as long as possible by moving the cart sideways while not exceeding a certain
range, see Figure 4(d). The game is terminated if the pole-angle exceeds ��12���or the cart position exceeds ��2.4.
Thus, longer duration yield higher i tness. We use a two-layer neural network of 58 parameters to control the cart,
with inputs being the current position, velocity, pole angle, and pole angular velocity. The output of the neural network
determines whether to move left or right. See more details about the neural network in Appendix A.5.1. The task is
considered solved when a i tness score (cumulative reward) of 500 is reached consistently over several episodes.
Deploying our original Diffusion Evolution method to this problem results in poor performance and lack of diversity,
see Figure 4(b-c). To address this issue, we propose Latent Space Diffusion Evolution: inspired by the latent space dif-
fusion model (Rombach et al., 2022), we map individual parameters into a lower-dimensional latent space in which we
perform the Diffusion Evolution Algorithm. This approach signif i cantly improves performance and restores diversity.
ThekeyinsightcomesfromtheGaussianterminEquation8forestimatingtheoriginalpoints �� x0: thedistancebetween
parameters increases with higher dimensions, making the evolution more local and slower. Moreover, the parameter
or genotype space may have dimensions that don���t effectively impact i tness, known as sloppiness (Gutenkunst et al.,
2007). Assigning random values to these dimensions often doesn���t affect i tness, similar to genetic drift or neutral
genes, suggesting the true high-f i tness genotype distribution is lower-dimensional. The straightforward approach is
directly denoising in a lower-dimensional latent space z and estimating high-quality targets z0via:
�� z0(zt,��,t) = X
z p(z|zt)z
=
1
Z X
x���peval(x) g[f���(z)]N(zt; ����� tz,1 ��� ��t)z.
(11)
However, this approach requires a decoder and a new i tness function f���for z, which can be challenging to obtain. To
circumvent this, we approximate the latent diffusion by using the latent space only to calculate the distance between
individuals. While we don���t know the exact distribution of x apriori, a random projection can often preserve the
distance relationships between populations, as suggested by the Johnson-Lindenstrauss lemma (Johnson, 1984). To
do this, we change Equation 11 to:
�� x0(xt,��,t) = X
x���peval(x) p(x|xt)x
=
1
Z X
x���peval(x) g[f(x)]N(zt; ����� tz,1 ��� ��t)x,
(12)
where z = Ex, Eij��� N(d,D)(0,1/D), D is the dimension of x, and d is the dimension of latent space (Johnson,
1984), see Algorithm 2 in Appendix. Here we choose d = 2 in our experiments for better visualization. The results
show a signif i cant improvement in both i tness and diversity, see Figure 4(b-c). We also found that this latent evolution
can still operate in a much larger dimensional parameter space, utilizing a three-layer neural network with 17,410
parameters, while still achieving strong performance. Combined with accelerated sampling method, we can solve the
cart pole task in only 10 generations, with 512 population size, one i tness evaluation per individual. These highlights
the potential of using tools and theories from the diffusion model domain in evolutionary optimization tasks and
vice versa, opening up broad opportunities to improve and understand evolution from a new perspective.
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The section on Latent Space Diffusion Evolution provides a compelling illustration of how advanced generative modeling techniques can enhance traditional evolutionary algorithms, particularly in complex reinforcement learning tasks such as the cart-pole system. Here's a deeper look at how this integration unfolds and its implications:
Overview of Latent Space Diffusion Evolution
Latent Space Diffusion Evolution modifies the original Diffusion Evolution method by incorporating a latent space mapping, significantly improving performance and restoring diversity in solution generation. This approach leverages latent space to perform evolutionary optimizations, which offers distinct advantages in handling high-dimensional parameter spaces.
Key Features and Innovations:
Latent Space Mapping
:
Parameters of individuals are mapped into a lower-dimensional latent space, where the evolutionary process is performed. This mapping simplifies the optimization landscape, reducing the dimensionality that the evolutionary process has to navigate directly.
Enhanced Performance and Diversity
:
By operating in latent space, the algorithm can more efficiently explore and exploit the fitness landscape. The reduction in dimensionality helps focus the evolutionary search on the most relevant aspects of the problem space, which can enhance both the speed and quality of convergence.
Implementation in High-Dimensional Spaces
:
The method is effective even in extremely high-dimensional spaces (up to 17,410 parameters), demonstrating its robustness and scalability. This capability is particularly useful in complex models, such as deep neural networks, where traditional evolutionary methods might struggle due to the "curse of dimensionality."
Application to the Cart-Pole System:
Cart-Pole Task Description
:
The task involves a cart with a hinged pole, where the objective is to keep the pole vertical for as long as possible by moving the cart sideways. The fitness score is directly related to the duration the pole remains upright.
Algorithmic Approach
:
A two-layer neural network controls the cart, with parameters optimized using the Latent Space Diffusion Evolution method. The simplified latent space allows for more effective optimization of the network's weights and biases, directly impacting the system's performance.
Performance Metrics
:
The algorithm not only achieves high fitness scores but also ensures diversity among solutions, which is crucial for robustness in real-world applications. The method's superiority is illustrated through comparative analyses with traditional methods like CMA-ES, showing significant improvements in both performance and solution diversity.
Technical Insights and Mathematical Framework:
Distance Calculations in Latent Space
:
The algorithm utilizes random projections (based on the Johnson-Lindenstrauss lemma) to preserve the distance relationships between individuals in the latent space. This approach facilitates efficient exploration and exploitation without directly tackling the high-dimensional original space.
Fitness Function Adaptation
:
A new fitness function, tailored for the latent space, helps guide the evolutionary process by providing relevant feedback on the quality of solutions in the transformed space.
Conclusion and Potential Implications:
The integration of latent space methods with diffusion model principles in evolutionary algorithms represents a significant advancement in the field of optimization. This approach not only improves the efficiency and effectiveness of evolutionary algorithms but also opens new pathways for exploring complex parameter spaces in various applications, from AI and machine learning to complex system optimization. This innovation underscores the potential of cross-disciplinary approaches in advancing computational methodologies and solving challenging problems.
4
Dijiste:
5Discussion
By aligning diffusion models with evolutionary processes, we demonstrate that diffusion models are evolutionary
algorithms, and evolution can be viewed as a generative process. The Diffusion Evolution process inherently includes
mutation, selection, hybridization, and reproductive isolation, indicating that diffusion and evolution are two sides of
the same coin. Our Diffusion Evolution algorithm leverages this theoretical connection to improve solution diversity