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Abstract—Despite its great success, machine learning can have its limits when dealing with insufficient training data. A potential
solution is the additional integration of prior knowledge into the training process which leads to the notion of informed machine learning.
In this paper, we present a structured overview of various approaches in this field. We provide a definition and propose a concept for
informed machine learning which illustrates its building blocks and distinguishes it from conventional machine learning. We introduce a
taxonomy that serves as a classification framework for informed machine learning approaches. It considers the source of knowledge,
its representation, and its integration into the machine learning pipeline. Based on this taxonomy, we survey related research and
describe how different knowledge representations such as algebraic equations, logic rules, or simulation results can be used in
learning systems. This evaluation of numerous papers on the basis of our taxonomy uncovers key methods in the field of informed
machine learning.
Index Terms—Machine Learning, Prior Knowledge, Expert Knowledge, Informed, Hybrid, Neuro-Symbolic, Survey, Taxonomy.
1 I NTRODUCTION
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Training Data
define *
Hypothesis Set
execute
integrated in Learning Alg.
Prior
Knowledge get Data-Driven Learning
(Convent. Machine Learning)
Final Hypoth.
*
Prior-Knowledge Integration
(Informed Machine Learning)
Figure 1: Information Flow in Informed Machine Learning. The informed machine learning pipeline requires a hybrid
information source with two components: Data and prior knowledge. In conventional machine learning knowledge is used
for data preprocessing and feature engineering, but this process is deeply intertwined with the learning pipeline (*).
In contrast, in informed machine learning prior knowledge comes from an independent source, is given by formal
representations (e.g., by knowledge graphs, simulation results, or logic rules), and is explicitly integrated.
complements the aforementioned surveys by providing a ing methodology and our obtained key insights. Section 4
systematic categorization of knowledge representations that presents the taxonomy and its elements that we distilled
are integrated into machine learning. We provide a struc- from surveying a large number of research papers. In Sec-
tured overview based on a survey of a large number of tion 5, we describe the approaches for the integration of
research papers on how to integrate additional, prior knowl- knowledge into machine learning classified according to the
edge into the machine learning pipeline. As an umbrella taxonomy in more detail. After brief historical account in
term for such methods, we henceforth use informed machine Section 6, we finally discuss future directions in Section 7
learning. and conclude in Section 8.
Our contributions are threefold: We propose an abstract
concept for informed machine learning that clarifies its
building blocks and relation to conventional machine learn- 2 C ONCEPT OF I NFORMED M ACHINE L EARNING
ing. It states that informed learning uses a hybrid informa-
tion source that consists of data and prior knowledge, which In this section, we present our concept of informed machine
comes from an independent source and is given by formal learning. We first state our notion of knowledge and then
representations. Our main contribution is the introduction present our descriptive definition of its integration into
of a taxonomy that classifies informed machine learning ap- machine learning.
proaches, which is novel and the first of its kind. It contains
the dimensions of the knowledge source, its representation,
and its integration into the machine learning pipeline. We 2.1 Knowledge
put a special emphasis on categorizing various knowledge The meaning of knowledge is difficult to define in general
representations, since this may enable practitioners to in- and is an ongoing debate in philosophy [25], [26], [27]. Dur-
corporate their domain knowledge into machine learning ing the generation of knowledge, it first appears as useful
processes. Moreover, we present a description of available information [28], which is subsequently validated. People
approaches and explain how different knowledge represen- validate information about the world using the brain’s inner
tations, e.g., algebraic equations, logic rules, or simulation statistical processing capabilities [29], [30] or by consulting
results, can be used in informed machine learning. trusted authorities. Explicit forms of validation are given by
Our goal is to equip potential new users of informed empirical studies or scientific experiments [27], [31].
machine learning with established and successful methods. Here, we assume a computer-scientific perspective and
As we intend to survey a broad spectrum of methods in this understand knowledge as validated information about rela-
field, we cannot describe all methodical details and we do tions between entities in certain contexts. Regarding its use
not claim to have covered all available research papers. We in machine learning, an important aspect of knowledge is
rather aim to analyze and describe common grounds as well its formalization. The degree of formalization depends on
as the diversity of approaches in order to identify the main whether knowledge has been put into writing, how struc-
research directions in informed machine learning. tured the writing is, and how formal and strict the language
In Section 2, we begin with a formulation of our concept is that was used (e.g., natural language vs. mathematical
for informed machine learning. In Section 3, we describe how formula). The more formally knowledge is represented, the
we classified the approaches in terms of our applied survey- more easily it can be integrated into machine learning.
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2.2 Integrating Prior Knowledge into Machine Learning survey. Our goals are to uncover different methods, identify
Apart from the usual information source in a machine learn- their similarities or differences, and to offer guidelines for
ing pipeline, the training data, one can additionally inte- users and researchers. In this section, we describe our clas-
grate knowledge. If this knowledge is pre-existent and inde- sification methodology and summarize our key insights.
pendent of learning algorithms, it can be called prior knowl-
edge. Moreover, such prior knowledge can be given by 3.1 Methodology
formal representations, which exist in an external, separated
The methodology of our classification is determined by
way from the learning problem and the usual training data.
specific analysis questions which we investigated in a sys-
Machine learning that explicitly integrates such knowledge
tematic literature survey.
representations will henceforth be called informed machine
learning.
3.1.1 Analysis Questions
Definition. Informed machine learning describes learning Our guiding question is how prior knowledge can be inte-
from a hybrid information source that consists of data grated into the machine learning pipeline. Our answers will
and prior knowledge. The prior knowledge comes from an particularly focus on three aspects: Since prior knowledge
independent source, is given by formal representations, and in informed machine learning consists of an independent
is explicitly integrated into the machine learning pipeline. source and requires some form of explicit representations,
This notion of informed machine learning thus describes we consider knowledge sources and representations. Since it
the flow of information in Figure 1 and is distinct from also is essential at which component of the machine learning
conventional machine learning. pipeline what kind of knowledge is integrated, we also
consider integration methods. In short, our literature survey
2.2.1 Conventional Machine Learning addresses the following three questions:
Conventional machine learning starts with a specific prob- 1) Source:
lem for which there is training data. These are fed into Which source of knowledge is integrated?
the machine learning pipeline, which delivers a solution. 2) Representation:
Problems can typically be formulated as regression tasks How is the knowledge represented?
where inputs X have to be mapped to outputs Y . Training
data is generated or collected and then processed by algo- 3) Integration:
rithms, which try to approximate the unknown mapping. Where in the learning pipeline is it integrated?
This pipeline comprises four main components, namely the
training data, the hypothesis set, the learning algorithm, and 3.1.2 Literature Surveying Procedure
the final hypothesis [32]. To systematically answer the above analysis questions, we
In traditional approaches, knowledge is generally used surveyed a large number of publications describing in-
in the learning pipeline, however, mainly for training data formed machine learning approaches. We used a compar-
preprocessing (e.g. labelling) or feature engineering. This ative and iterative surveying procedure that consisted of
kind of integration is involved and deeply intertwined different cycles. In the first cycle, we inspected an initial
with the whole learning pipeline, such as the choice of set of papers and took notes as to how each paper answers
the hypothesis set or the learning algorithm, as depicted our questions. Here, we observed that specific answers
in Figure 1. Hence, this knowledge is not really used as an occur frequently, which then led to the idea of devising a
independent source or through separated representations, classification framework in the form of a taxonomy. In the
but is rather used with adaption and as required. second cycle, we inspected an extended set of papers and
classified them according to a first draft of the taxonomy. We
2.2.2 Informed Machine Learning then further refined the taxonomy to match the observations
The information flow of informed machine learning com- from the literature. In the third cycle, we re-inspected and re-
prises an additional prior-knowledge integration and thus sorted papers and, furthermore, expanded our set of papers.
consists of two lines originating from the problem, as shown This resulted in an extensive literature basis in which all
in Figure 1. These involve the usual training data and papers are classified according to the distilled taxonomy.
additional prior knowledge. The latter exists independently
of the learning task and can be provided in form of logic 3.2 Key Insights
rules, simulation results, knowledge graphs, etc.
Next, we present an overview over key insights from our
The essence of informed machine learning is that this prior
systematic classification. As a preview, we refer to Figure 2,
knowledge is explicitly integrated into the machine learning
which visually summarizes our findings. A more detailed
pipeline, ideally via clear interfaces defined by the knowl-
description of our findings will be given in Sections 4 and 5.
edge representations. Theoretically, this applies to each of
the four components of the machine learning pipeline.
3.2.1 Taxonomy
Based on a comparative and iterative literature survey,
3 C LASSIFICATION OF A PPROACHES we identified a taxonomy that we propose as a classifica-
To comprehend how the concept of informed machine learn- tion framework for informed machine learning approaches.
ing is implemented, we performed a systematic classifica- Guided by the above analysis questions, the taxonomy
tion of existing approaches based on an extensive literature consists of the three dimensions knowledge source, knowledge
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Hypothesis Set
Simulation Results
(Network Architecture,
Model Structure, etc.)
Spatial Invariances
World Knowledge
Logic Rules
(Vision, Linguistics,
Semantics, General K., etc.)
Learning Algorithm
Probabilistic Relations
Expert Knowledge
(Intuition, Less Formal) Human Feedback Final Hypothesis
Figure 2: Taxonomy of Informed Machine Learning. This taxonomy serves as a classification framework for informed
machine learning and structures approaches according to the three above analysis questions about the knowledge source,
knowledge representation and knowledge integration. Based on a comparative and iterative literature survey, we identified for
each dimension a set of elements that represent a spectrum of different approaches. The size of the elements reflects the
relative count of papers. We combine the taxonomy with a Sankey diagram in which the paths connect the elements across
the three dimensions and illustrate the approaches that we found in the analyzed papers. The broader the path, the more
papers we found for that approach. Main paths (at least four or more papers with the same approach across all dimensions)
are highlighted in darker grey and represent central approaches of informed machine learning.
representation and knowledge integration. Each dimension con- oriented user might prefer to read the taxonomy from left
tains a set of elements that represent the spectrum of differ- to right, starting with some given knowledge source and
ent approaches found in the literature. This is illustrated in then selecting representation and integration. Vice versa, a
the taxonomy in Figure 2. method-oriented developer or researcher might prefer to
With respect to knowledge sources, we found three read the taxonomy from right to left, starting with some
broad categories: Rather specialized and formalized scien- given integration method. For both perspectives, knowledge
tific knowledge, everyday life’s world knowledge, and more representations are important building blocks and constitute
intuitive expert knowledge. For scientific knowledge we an abstract interface that connects the application- and the
found the most informed machine learning papers. With method-oriented side.
respect to knowledge representations, we found versatile
and fine-grained approaches and distilled eight categories 3.2.2 Frequent Approaches
(Algebraic equations, differential equations, simulation re- The taxonomy serves as a classification framework and
sults, spatial invariances, logic rules, knowledge graphs, allows us to identify frequent approaches of informed ma-
probabilistic relations and human feedback). Regarding chine learning. In our literature survey, we categorized each
knowledge integration, we found approaches for all stages research paper with respect to each of the three taxonomy
of the machine learning pipeline, from the training data dimensions.
and the hypothesis set, over the learning algorithm, to the Paths through the Taxonomy. When visually highlight-
final hypothesis. However, most informed machine learning ing and connecting them, a specific combination of entries
papers consider the two central stages. across the taxonomy dimensions figuratively results in a
Depending on the perspective, the taxonomy can be path through the taxonomy. Such paths represent specific
regarded from either one of two sides: An application- approaches towards informed learning and we illustrate
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Figure 3: Knowledge Representations and Learning Tasks. Figure 4: Knowledge Integration and its Goals.
this by combining the taxonomy with a Sankey diagram, observed. Simulation results are very often integrated into
as shown in Figure 2. We observe that, while various paths the training data. Knowledge graphs, spatial invariances,
through the taxonomy are possible, specific ones occur more and logic rules are frequently incorporated into the hy-
frequently and we will call them main paths. For example, pothesis set. The learning algorithm is mainly enhanced by
we often observed the approach that scientific knowledge algebraic or differential equations, logic rules, probabilistic
is represented in algebraic equations, which are then inte- relations, or human feedback. Lastly, the final hypothesis is
grated into the learning algorithm, e.g. the loss function. often checked by knowledge graphs or also by simulation
As another example, we often found that world knowledge results. However, since we observed various possible types
such as linguistics is represented by logic rules, which are of integration for all representation types, the integration
then integrated into the hypothesis set, e.g. the network still appears to be problem specific.
architecture. These paths, especially the main paths, can be Hence, we additionally analyzed the literature for the
used as a guideline for users new to the field or provide a goal of the prior knowledge integration and found four
set of baseline methods for researchers. main goals: Data efficiency, accuracy, interpretability, or
Paths from Source to Representation. We found that the knowledge conformity. Although these goals are interre-
paths from source to representation form groups. That is, for lated or even partially equivalent according to statistical
every knowledge source there appear prevalent represen- learning theory, it is interesting to examine them as different
tation types. Scientific knowledge is mainly represented in motivations for the chosen approach. The distribution of
terms of algebraic or differential equations or exist in form goals for the distinct integration types is shown in Figure 4.
of simulation results. While other forms of representation We observe that the main goal always is to achieve better
are possible, too, there is a clear preference for equations performance. The integration of prior knowledge into the
or simulations, likely because most sciences aim at finding training data stands out, because its main goal is to train
natural laws encoded in formulas. For world knowledge, with less data. The integration into the final hypothesis is
the representation forms of logic rules, knowledge graphs, also special, because it is mainly used to ensure knowl-
or spatial invariances are the primary ones. These can be edge conformity for secure and trustworthy AI. All in all,
understood as a group of symbolic representations. Expert this distribution suggests suitable integration approaches
knowledge is mainly represented by probabilistic relations depending on the goal.
or human feedback. This is appears reasonable because
such representations allow for informality as well as for
a degree of uncertainty, both of which might be useful 4 TAXONOMY
for representing intuition. We also performed an additional In this section, we describe the informed machine learning
analysis on the dependency of the learning task and found a taxonomy that we distilled as a classification framework
confirmation of the above described representation groups in our literature survey. For each of the three taxonomy
as shown in Figure 3. dimensions knowledge source, knowledge representation and
From a theoretical point of view, transformations be- knowledge integration we describe the found elements, as
tween representations are possible and indeed often appar- shown in Figure 2. While an extensive approach catego-
ent within the aforementioned groups. For example, equa- rization according to this taxonomy with further concrete
tions can be transformed to simulation results, or logic rules examples will be presented in the next section (Section 5),
can be represented as knowledge graphs and vice versa. we here describe the taxonomy on a more conceptual level.
Nevertheless, from a practical point of view, differentiating
between forms of representations appears useful as specific
representations might already be available in a given set up. 4.1 Knowledge Source
Paths from Representation to Integration. For most of The category knowledge source refers to the origin of prior
the representation types we found at least one main path knowledge to be integrated in machine learning. We observe
to an integration type. The following mappings can be that the source of prior knowledge can be an established
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Table 1: Illustrative Overview of Knowledge Representations in the Informed Machine Learning Taxonomy. Each
representation type is illustrated by a simple or prominent example in order to give a first intuitive understanding.
knowledge domain but also knowledge from an individual This category constitutes the central building block of our
group of people with respective experience. taxonomy, because it determines the potential interface to
We find that prior knowledge often stems from the the machine learning pipeline.
sciences or is a form of world or expert knowledge, as illus- In our literature survey, we frequently encountered cer-
trated on the left in Figure 2. This list is neither complete nor tain representation types, as listed in the taxonomy in
disjoint but intended show a spectrum from more formal to Figure 2 and illustrated more concretely in Table 1. Our
less formal, or explicitly to implicitly validated knowledge. goal is to provide a classification framework of informed
Although particular knowledge can be assigned to more machine learning approaches including the used knowl-
than one of these sources, the goal of this categorization edge representation types. Although some types can be
is to identify paths in our taxonomy that describe frequent mathematically transformed into each other, we keep the
approaches of knowledge integration into machine learning. representation that are closest to those in the reviewed
In the following we shortly describe each of the knowledge literature. Here we give a first conceptual overview over
sources. these types.
Scientific Knowledge. We subsume the subjects of sci- Algebraic Equations. Algebraic equations represent
ence, technology, engineering, and mathematics under sci- knowledge as equality or inequality relations between math-
entific knowledge. Such knowledge is typically formalized ematical expressions consisting of variables or constants.
and validated explicitly through scientific experiments. Ex- Equations can be used to describe general functions or to
amples are the universal laws of physics, bio-molecular constrain variables to a feasible set and are thus sometimes
descriptions of genetic sequences, or material-forming pro- also called algebraic constraints. Prominent examples in
duction processes. Table 1 are the equation for the mass-energy equivalence
World Knowledge. By world knowledge we refer to facts and the inequality stating that nothing can travel faster than
from everyday life that are known to almost everyone and the speed of light in vacuum.
can thus also be called general knowledge. It can be more Differential Equations. Differential equations are a sub-
or less formal. Generally, it can be intuitive and validated set of algebraic equations, which describe relations between
implicitly by humans reasoning in the world surrounding functions and their spatial or temporal derivatives. Two
them. Therefore, world knowledge often describes relations famous examples in Table 1 are the heat equation, which is
of objects or concepts appearing in the world perceived by a partial differential equation (PDE), and Newton’s second
humans, for instance, the fact that a bird has feathers and law, which is an ordinary differential equation (ODE). In
can fly. Moreover, by world knowledge we also subsume both cases, there exists a (possibly empty) set of func-
linguistics. Such knowledge can also be explicitly validated tions that solve the differential equation for given initial
through empirical studies. Examples are the syntax and or boundary conditions. Differential equations are often
semantics of language. the basis of a numerical computer simulation. We distin-
Expert Knowledge. We consider expert knowledge to be guish the taxonomy categories of differential equations and
knowledge that is held by a particular group of experts. simulation results in the sense that the former represents
Within the expert’s community it can also be called common a compact mathematical model while the latter represents
knowledge. Such knowledge is rather informal and needs unfolded, data-based computation results.
to be formalized, e.g., with human-machine interfaces. It Simulation Results. Simulation results describe the nu-
is also validated implicitly through a group of experienced merical outcome of a computer simulation, which is an ap-
specialists. In the context of cognitive science, this expert proximate imitation of the behavior of a real-world process.
knowledge can also become intuitive [29]. For example, an A simulation engine typically solves a mathematical model
engineer or a physician acquires knowledge over several using numerical methods and produces results for situation-
years of experience working in a specific field. specific parameters. Its numerical outcome is the simulation
result that we describe here as the final knowledge repre-
sentation. Examples are the flow field of a simulated fluid
4.2 Knowledge Representation or pictures of simulated traffic scenes.
The category knowledge representation describes how knowl- Spatial Invariances. Spatial invariances describe proper-
edge is formally represented. With respect to the flow of ties that do not change under mathematical transformations
information in informed machine learning in Figure 1, it such as translations and rotations. If a geometric object is
directly corresponds to our key element of prior knowledge. invariant under such transformations, it has a symmetry (for
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example, a rotationally symmetric triangle). A function can network’s architecture and hyper-parameters. For example,
be called invariant, if it has the same result for a symmetric a convolutional neural network applies knowledge as to lo-
transformation of its argument. Connected to invariance is cation and translation invariance of objects in images. More
the property of equivariance. generally, knowledge can be integrated by choosing model
Logic Rules. Logic provides a way of formalizing knowl- structure. A notable example is the design of a network
edge about facts and dependencies and allows for translat- architecture considering a mapping of knowledge elements,
ing ordinary language statements (e.g., IF A THEN B ) into such as symbols of a logic rule, to particular neurons.
formal logic rules (A ñ B ). Generally, a logic rule consists Learning Algorithm. Learning algorithms typically in-
of a set of Boolean expressions (A, B ) combined with logical volve a loss function that can be modified according to
connectives (^, _, ñ, . . . ). Logic rules can be also called additional knowledge, e.g. by designing an appropriate reg-
logic constraints or logic sentences. ularizer. A typical approach of informed machine learning
Knowledge Graphs. A graph is a pair pV, Eq, where is that prior knowledge in form of algebraic equations,
V are its vertices and E denotes edges. In a knowledge for example laws of physics, is integrated by means of
graph, vertices (or nodes) usually describe concepts whereas additional loss terms.
edges represent (abstract) relations between them (as in Final Hypothesis. The output of a learning pipeline,
the example “Man wears shirt” in Table 1). In an ordinary i.e. the final hypothesis, can be benchmarked or validated
weighted graph, edges quantify the strength and the sign of against existing knowledge. For example, predictions that
a relationship between nodes. do not agree with known constraints can be discarded or
Probabilistic Relations. The core concept of probabilistic marked as suspicious so that results are consistent with
relations is a random variable X from which samples x prior knowledge.
can be drawn according to an underlying probability dis-
tribution P pXq. Two or more random variables X, Y can
be interdependent with joint distribution px, yq „ P pX, Y q. 5 D ESCRIPTION OF I NTEGRATION A PPROACHES
Prior knowledge could be assumptions on the conditional
In this section, we give a detailed account of the informed
independence or the correlation structure of random vari-
machine learning approaches we found in our literature sur-
ables or even a full description of the joint probability
vey. We will focus on methods and therefore structure our
distributions.
presentation according to knowledge representations. This
Human Feedback. Human feedback refers to technolo-
is motivated by the assumption that similar representations
gies that transform knowledge via direct interfaces between
are integrated into machine learning in similar ways as they
users and machines. The choice of input modalities deter-
form the mathematical basis for the integration. Moreover
mines the way information is transmitted. Typical modali-
the representations combine both the application- and the
ties include keyboard, mouse, and touchscreen, followed by
method-oriented perspective as described in Section 3.2.1.
speech and computer vision, e.g., tracking devices for mo-
For each knowledge representation, we describe the
tion capturing. In theory, knowledge can also be transferred
informed machine learning approaches in a separate sub-
directly via brain signals using brain-computer interfaces.
section and present the observed (paths from) knowledge
4.3 Knowledge Integration source and the observed (paths to) knowledge integration.
We describe each dimension along its entities starting with
The category knowledge integration describes where the the main path entity, i.e. the one we found in most papers.
knowledge is integrated into the machine learning pipeline. This whole section refers to Table 2 and 3, which lists
Our literature survey revealed that integration ap-
the paper references sorted according to our taxonomy.
proaches can be structured according to the four compo-
nents of training data, hypothesis set, learning algorithm,
and final hypothesis. Though we present these approaches 5.1 Algebraic Equations
more thoroughly in Section 5, the following gives a first
The main path for algebraic equations that we found in our
conceptual overview.
literature survey comes from scientific knowledge and goes
Training Data. A standard way of incorporating knowl-
into the learning algorithm, but also other integration types
edge into machine learning is to embody it in the underlying
are possible, as illustrated in the following figure.
training data. Whereas a classic approach in traditional
machine learning is feature engineering where appropriate
Tr. Data
features are created from expertise, an informed approach
Hyp. Set
according to our definition is the use of hybrid informa- Scientific Kn.
tion in terms of the original data set and an additional, Algebraic
Equations Learn. Alg.
separate source of prior knowledge. This separate source
of prior knowledge allows to accumulate information and
Expert Kn. Final Hyp.
therefore can create a second data set, which can then be
used together with, or in addition to, the original training
data. A prominent approach is simulation-assisted machine
learning where the training data is augmented through 5.1.1 (Paths from) Knowledge Source
simulation results. Algebraic equations are mainly used to represent formalized
Hypothesis Set. Integrating knowledge into the hypoth- scientific knowledge, but may also be used to express more
esis set is common, say, through the definition of a neural intuitive expert knowledge.
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Table 2: References Classified by Knowledge Representation and (Path from) Knowledge Source.
SOURCE REPRESENTATION
Scientific [12], [13], [33] [20], [43], [44] [12], [18], [19] [50], [51], [52] [53], [54] [14], [55], [56] [57], [58]
Knowledge [34], [35], [36] [45], [46], [47] [59], [60], [61] [62], [63]
[37], [38], [41] [48], [49] [64], [65], [66]
[39], [42] [67], [68], [69]
World [67], [70] [71], [72], [73] [10], [11], [13] [15], [16], [56] [74]
Knowledge [75], [76], [77] [21], [78], [79] [80], [81], [82]
[83] [84], [85], [86] [87], [88], [89]
[90], [91], [92] [93], [94], [95]
Expert [33], [39], [40] [74], [96], [97] [98], [99], [100]
Knowledge [101], [102], [103] [104], [105], [106]
[107] [108], [109], [110]
Table 3: References Classified by Knowledge Representation and (Path to) Knowledge Integration.
INTEGRAT. REPRESENTATION
Training [42] [12], [18], [19] [52], [77], [83] [81] [100], [105]
Data [59], [64], [65]
[67]
Hypothesis [34], [38], [40] [44], [47], [48] [60], [68], [69] [50], [51], [73] [53], [78], [79] [14], [15], [16] [74], [97], [101] [105]
Set [49] [71], [72], [75] [54], [91], [92] [62], [63], [82]
[76] [90] [80], [87], [95]
Learning [12], [13], [33] [20], [43], [45] [66] [10], [11], [13] [55], [56], [89] [57], [96], [101] [98], [99], [100]
Algorithm [35], [36], [37] [46] [21], [85], [86] [58], [102], [103] [104], [106], [110]
[39] [84] [108], [109]
Final [12], [41] [19], [61], [66] [88], [93], [94] [107]
Hypothesis [70]
can also be realized with physics engines, for example, pre- When building a machine learning model that reflects
trained neural networks can be tailored towards an appli- the actual, detailed behaviour of a system, low-fidelity sim-
cation through additional training on simulated data [64]. ulation results or a response surface (a data-driven model
Synthetic training data generated from simulations can also of the simulation results) can be build into the architecture
be used to pre-train components of Bayesian optimization of a knowledge-based neural network (KBANN [53], see
frameworks [65]. Insert 3), e.g. by replacing one or more neurons. This way,
In informed machine learning, training data thus stems parts of the network can be used to learn a mapping from
from a hybrid information source and contains both simu- low-fidelity simulation results to a few real-world observa-
lated and real data points (see Insert 2). The gap between the tions or high-fidelity simulations [60], [69].
synthetic and the real domain can be narrowed via adver-
Learning Algorithm. Furthermore, a simulation can di-
sarial networks such as SimGAN. These improve the realism
rectly be integrated into iterations of a a learning algorithm.
of, say, synthetic images and can generate large annotated
For example, a realistic positioning of objects in a 3D scene
data sets by simulation [67]. The SPIGAN framework goes
can be improved by incorporating feedback from a solid-
one step further and uses additional, privileged information
body simulation into learning [66]. By means of reinforce-
from internal data structures of the simulation in order to
ment learning, this is even feasible if there are no gradients
foster unsupervised domain adaption of deep networks [18].
available from the simulation.
Hypothesis Set. Another approach we observed inte-
grates simulation results into the hypothesis set [60], [68], Final Hypothesis. A last but important approach that we
[69], which is of particular interest when dealing with low- found in our survey integrates simulation results into the fi-
fidelity simulations. These are simplified simulations that nal hypothesis set of a machine learning model. Specifically,
approximate the overall behaviour of a system but ignore simulations can validate results of a trained model [19], [61],
intricate details for the sake of computing speed. [66], [70].
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5.4 Spatial Invariances in terms of a regularizer that penalizes the norm of the
Next, we describe informed machine learning approaches derivative of the decision function [23].
involving the representation type of spatial invariances. Training Data. An early example of integrating knowl-
Their main path comes from world knowledge and goes edge as invariances into machine learning is the creation
to the hypothesis set. of virtual examples [77] and it has been shown that data
augmentation through virtual examples is mathematically
equivalent to incorporating prior knowledge via a regular-
Scientific Kn. Tr. Data
izer. A similar approach is the creation of meta-features [83].
Spatial For instance, in turbulence modelling using the Reynolds
Invariances stress tensor, a feature can be createad that is rotational,
World Kn. Hyp. Set reflectional and Galilean invariant [52]. This is achieved by
selecting features fulfilling rotational and Gallilean symme-
tries and augmenting the training data to ensure reflectional
invariance.
5.4.1 (Paths from) Knowledge Source
We mainly found references using spatial invariances in the 5.5 Logic Rules
context of world knowledge or scientific knowledge.
World Knowledge. Knowledge about invariances may Logic Rules play an important role for the integration of
fall into the category of world knowledge, for example prior knowledge into machine learning. In our literature
when modeling facts about local or global pixel correla- survey, we mainly found the the source of world knowledge
tions in images [73]. Indeed, invariants are often used in and the two integration paths into the hypothesis set and the
image recognition where many characteristics are invariant learning algorithm.
under metric-preserving transformations. For example, in
Scientific Kn.
object recognition, an object should be classified correctly Hyp. Set
independent of its rotation in an image.
Logic
Scientific Knowledge. In physics, Noether’s theorem Rules
states that certain symmetries (invariants) lead to conserved World Kn.
quantities (first integrals) and thus integrate Hamiltonian Learn. Alg.
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in accordance to given spatio-temporal structures [124]. In the agent with human feedback rather than (predefined)
other hybrid approaches, the parameters of the conditional rewards. This way, the agent learns from observations
distribution of the Bayesian network are either learned from and human knowledge alike. While these approaches can
data or obtained from knowledge [74], [101]. quickly learn optimal policies, it is cumbersome to obtain
Learning Algorithm. Human knowledge can also be the human feedback for every action. Human preference
used to define an informative prior [101], [125], which w.r.t. whole action sequences, i.e. agent behaviors, can cir-
affects the learning algorithm as is has a regularizing ef- cumvent this [104]. This enables the learning of reward func-
fect. Structural constraints can alter score functions or the tions. Expert knowledge can also be incorporated through
selection policies of conditional independence test, inform- natural language interfaces [100]. Here, a human provides
ing the search for the network structure [96]. More qual- instructions and agents receive rewards upon completing
itative knowledge, e.g. observing one variable increases these instructions.
the probability of another, was integrated using isotonic Active learning offers a way to include the “human in the
regression, i.e. parameter estimation with order constraints loop” to efficiently learn with minimal human intervention.
[103]. Causal network inference can make use of ontologies This is based on iterative strategies where a learning algo-
to select the tested interventions [57]. Furthermore, prior rithm queries an annotator for labels [126]. We do not con-
causal knowledge can be used to constrain the direction of sider this standard active learning as an informed learning
links in a Bayesian network [58]. method because the human knowledge is essentially used
Final Hypothesis. Finally, predictions obtained from a for label generation only. However, recent efforts integrate
Bayesian network can be judged by probabilistic relational further knowledge into the active learning process.
knowledge in order to refine the model [107]. Visual analytics combines analysis techniques and in-
teractive visual interfaces to enable exploration of –and
5.8 Human Feedback inference from– data [127]. Machine learning is increasingly
combined with visual analytics. For example, visual analyt-
Finally, we look at informed machine learning approaches
ics systems allow users to drag similar data points closer
belonging to the representation type of human feedback.
in order to learn distance functions [106], provide corrective
The most common path begins with expert knowledge and
feedback in object recognition [108], or even to alter correctly
ends at the learning algorithm.
identified instances where the interpretation is not in line
with human explanations [109], [110].
Tr. Data
Lastly, various tools exist for text analysis, in particular
Hyp. Set for topic modeling [98] where users can create, merge and
Expert Kn. Human
Feedback refine topics or change keyword weights. They thus impart
Learn. Alg. knowledge by generating new reference matrices (term-by-
topic and topic-by-document matrices) that are integrated in
a regularization term that penalizes the difference between
the new and the old reference matrices. This is similar to the
5.8.1 (Paths from) Knowledge Source semantic loss term described above.
Compared to other categories in our taxonomy, knowledge Training Data and Hypothesis Set. Another approach
representation via human feedback is less formalized and towards incorporating expert knowledge in reinforcement
mainly stems from expert knowledge. learning considers human demonstration of problem solv-
Expert Knowledge. Examples of knowledge that fall ing. Expert demonstrations can be used to pre-train a deep
into this category include knowledge about topics in text Q-network, which accelerates learning [105]. Here, prior
documents [98], agent behaviors [99], [100], [104], [105], and knowledge is integrated into the hypothesis set and the
data patterns and hierarchies [98], [106], [110]. Knowledge is training data since the demonstrations inform the training
often provided in form of relevance or preference feedback of the Q-network and, at the same time, allow for interactive
and humans in the loop can integrate their intuitive knowl- learning via simulations.
edge into the system without providing an explanation for
their decision. For example, in object recognition, users can
provide their corrective feedback about object boundaries 6 H ISTORICAL BACKGROUND
via brush strokes [108]. As another example, in Game AI, an The idea of integrating knowledge into learning has a long
expert user can give spoken instructions for an agent in an history. Historically, AI research roughly considered the two
Atari game [100]. antipodal paradigms of symbolism and connectionism. The
former dominated up until the 1980s and refers to reasoning
5.8.2 (Paths to) Knowledge Integration based on symbolic knowledge; the latter became more pop-
Human feedback for machine learning is usually assumed to ular in the 1990s and considers data-driven decision making
be limited to feature engineering and data annotation. How- using neural networks. Especially Minsky [128] pointed
ever, it can also be integrated into the learning algorithm out limitations of symbolic AI and promoted a stronger
itself. This often occurs in areas of reinforcement learning, focus on data-driven methods to allow for causal and fuzzy
or interactive learning combined with visual analytics. reasoning. Already in the 1990s were knowledge data bases
Learning Algorithm. In reinforcement learning, an agent used together with training data to obtain knowledge-based
observes an unknown environment and learns to act based artificial neural networks [53]. In the 2000s, when support
on reward signals. The TAMER framework [99] provides vector machines (SVMs) were the de-facto paradigm in
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classification, there was interest in incorporating knowledge tion [76] or expensive evaluations on more complex geome-
into this formalism [23]. Moreover, in the geosciences, and tries [111]. Therefore, we think that the efficient adaptation
most prominently in weather forecasting, knowledge inte- of invariant-based models to further scenarios can further
gration dates back to the 1950s. Especially the discipline improve geometric-based representation learning [111].
of data assimilation deals with techniques that combine Logic rules can be encoded in the architecture of
statistical and mechanistic models to improve prediction knowledge-based neural networks (KBANNs), (e.g., [53],
accuracy [129], [130]. [54], [90]). Since this idea was already developed when
neural networks had only a few layers, a question is, if
it is still feasible for deep neural networks. In order to
7 D ISCUSSION OF C HALLENGES AND D IRECTIONS improve the practicality, we suggest to develop automated
Our findings about the main approaches of informed ma- interfaces for knowledge integration. A future direction
chine learning are summarized in Table 4. It gives for could be the development of new neuro-symbolic systems.
each approach the taxonomy path, its main motivation, the Although the combination of connectionist and symbolic
central approach idea, remarks to potential challenges, and systems into hybrid systems is a longtime idea [140], [141],
our viewpoint on current or future directions. For further it is currently getting more attention [142], [143]. Another
details on the methods themselves and the corresponding challenge, especially in statistical relational learning (SRL),
papers, we refer to Section 5. In the following, we discuss the such as Markov logic networks or probabilistic soft logic
challenges and directions for these main approaches, sorted (e.g., [79], [92], [144]). is the aquisition of rules when they
by the integrated knowledge representations. are not yet given. An ongoing research topic to this end is
Prior knowledge in the form of algebraic equations can the learning of rules from data, which is called structure
be integrated as constraints via knowledge-based loss terms learning [145].
(e.g., [12], [13], [35]). Here, we see a potential challenge in Knowledge graphs can be integrated into learning sys-
finding the right weights for supervision from knowledge tems either explicitly via graph propagation and attention
vs. data labels. Currently, this is solved by setting the mechanisms, or implicitly via graph neural networks with
hyperparameters for the individual loss terms [12]. How- relational inductive bias (e.g., [14], [15], [16]). A challenge
ever, we think that strategies from more recently developed is the comparability between different methods, because
learning algorithms, such as self-supervised [131] or few- authors often use template like ConceptNet [80] or Visu-
shot learning [132], could also advance the supervision from alGenome [15], [16] and customize the graphs in to im-
prior knowledge. Moreover, we suggest further research prove running time and performance. Since the choice of
on theoretical concepts based on the existing generalization graph can have high influence [82], we suggest a pool of
bounds from statistical learning theory [133], [134] and the standardized graphs in order to improve comparability, or
connection between regularization and effective hypothesis even to establish benchmarks. Another interesting direction
space [135]. is to combine graph using and graph learning. A require-
Differential equations can be integrated similarly, but ment here is the need for good entity linking models in
with a specific focus on physics-informed neural networks approaches such as KnowBERT [95] and ERNIE [87] and
that constrain the model derivatives by the underlying dif- the continuous embedding of new facts in the graph.
ferential equation (e.g., [20], [45], [46]). A potential challenge Probabilistic Relations can be integrated as prior knowl-
is the robustness of the solution, which is the subject of edge in terms of a-priori probability distributions that are
current research. One approach is to investigate the the refined with additional observations (e.g., [74], [97], [101]).
model quality by a suitable quanitification of its uncer- The main challenges are the large computational effort and
tainty [43], [46]. We think, a more in-depth comparison the formalization of knowledge in terms of inductive priors.
with existing numerical solvers [136] would also be helpful. Directions responding to this are variational methods with
Another challenge of physical systems is the generation and origins in optimization theory and functional analysis [146]
integration of sensor data in real-time. This is currently and variational neural networks [147]. Besides scaling is-
tackled by online learning methods [48]. Furthermore, we sues, an explicit treatment of causality is becoming more
think that techniques from data assimilation [130] could also important in machine learning and closely related to graph-
be helpful to combine modelling from knowledge and data. ical probabilistic models [148].
Simulation results can be used for synthetic data genera- Human feedback can be integrated into the learn-
tion or augmentation (e.g., [18], [19], [59]), but this can bring ing algorithm by human-in-the-loop (HITL) reinforcement
up the challenge of a mismatch between real and simulated learning (e.g., [99], [104]), or by explanation alignment
data. A promising direction to close the gap is domain through interactive learning combined with visual analytics
adaptation, especially adversarial training [67], [137], or (e.g., [109], [110]). However, the exploration of human feed-
domain randomization [138]. Moreover, for future work we back can be very expensive due to its latency in real systems.
see further potential in the development of new hybrid Exploratory actions could hamper user experience [149],
systems that combine machine learning and simulation in [150], so that online reinforcement learning is generally
more sophisticated ways [139]. avoided. A promising approach is learning a reward esti-
The utilization of spatial invariances through model mator [151], [152] from collected logs, which then provides
architectures with invariant characteristics, such as group unlimited feedback for unseen instances that do not have
equivariant or convolutional networks, diminish the model any human judgments. Another challenge is that human
search space (e.g., [71], [72], [76]). Here, a potential chal- feedback is often intuitive and not formalized and thus
lenge is the proper invariance specification and implementa- difficult to incorporate into machine learning systems. Also
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Table 4: Main Approaches of Informed Machine Learning. The approaches are sorted by taxonomy path and knowledge
representation. Methodical details can be found in Section 5. Challenges and directions are discussed in Section 7.
Taxonomy Path Main Motivation Central Approach Idea Potential Challenge Current / Future Directions
Scientific Algebraic Learning Less data, Knowledge-based loss Weighting supervision Hyperparameter setting,
Knowl. Equations Algor. Knowl. conform. terms from constraints from data labels vs. Novel learning algorithms,
(See Sec. 5.1) (see Insert 1) knowledge Extension of learning theory
Differential Learning Knowl. conform., Physics-informed neural Solution robustness, Uncertainty quantification,
Equations Algor. Less data networks with derivatives Real-time data generation Numerical solver comparison,
(See Sec. 5.2) in loss function and integration Online learning, data assimilation
Simulation Training Less data Synthetic data generation Sim-to-real gap, i.e. Adversarial domain adaptation,
Results Data or data augmentation mismatch between real Domain randomization;
(See Sec. 5.3) (see Insert 2) and simulated data Hybrid systems
World Spatial Hypoth. Performance Models with invariant Invariance specification, Geometric-based
Knowl. Invariances Set (Small models) characteristics, e.g. group expensive geometric representation learning,
(See Sec. 5.4) equivariant DNNs/CNNs evaluations Adaptaion to complex scenarios
Logic Hypoth. Performance KBANNs (see Insert 3); Feasibility for deep Automated integration interface,
Rules Set SRL (e.g., Markov logic neural networks; Neuro-symbolic systems;
(See Sec. 5.5) networks, prob. soft logic) Acquisition of rules Structure learning
Knowl. Hypoth. Performance, Gr. propagation (see Insert 4), Comparability with custom Standardized graph data pool,
Graphs Set Less data attention; Gr. neural networks graphs, Getting the graph, Combine graph using and learning,
(See Sec. 5.6) (relational inductive bias) Entity linking Neuro-symbolic systems
Expert Probabilistic Hypoth. Less data Informed structure of High computational Variational methods combining
Knowl. Relations Set prob. graphical models, effort, Formalization prob. models with numerical opt.,
(See Sec. 5.7) informative priors of knowledge Probabilistic neural networks
Human Learning Less data, HITL Reinforcement learning; Feedback latency; Reward estimation from logs;
Feedback Algor. Performance, Explanation alignment via Formalization of intuition, Representation transformation,
(See Sec. 5.8) Interpretability Visual anal./interactive ml Evaluation methods Utilization for interpretability
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Transactions on Knowledge and Data Engineering
IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING 20
Sebastian Mayer received his diploma degree Julius Pfrommer received his PhD degree in
in Mathematics in 2011 from TU Darmstadt and computer science in 2019 from Karlsruhe Insti-
his PhD in Mathematics in 2018 from University tute of Technology (KIT). Since 2018, he is the
Bonn. Since 2017, he is a research scientist head of a research group at Fraunhofer IOSB.
at Fraunhofer SCAI. His research interests are His research interests include distributed sys-
machine learning and biologically-inspired algo- tems, planning under uncertainty, and optimiza-
rithms in the context of cyber-physical systems. tion theory with its many applications for ma-
chine learning and optimal control.
Katharina Beckh received her M.Sc. degree in Annika Pick received her M.Sc. degree in Com-
Human-Computer Interaction in 2019 from Julius puter Science in 2018 from University of Bonn.
Maximilian University of Wuerzburg. Since 2019, Since 2019, she is a data scientist at Fraun-
she is a research scientist at Fraunhofer IAIS. hofer IAIS. Her research interests include learn-
Her research interests include interactive ma- ing from healthcare data and pattern mining.
chine learning, human oriented modeling and
text mining with a primary focus in the medical
domain.
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