In statistical learning theory, the principle of empirical risk minimization defines a family of learning algorithms based on evaluating performance over a known and fixed dataset. The core idea is based on an application of the law of large numbers; more specifically, we cannot know exactly how well a predictive algorithm will work in practice (i.e. the "true risk") because we do not know the true distribution of the data, but we can instead estimate and optimize the performance of the algorithm on a known set of training data. The performance over the known set of training data is referred to as the "empirical risk". == Background == The following situation is a general setting of many supervised learning problems. There are two spaces of objects X {\displaystyle X} and Y {\displaystyle Y} and we would like to learn a function h : X → Y {\displaystyle \ h:X\to Y} (often called hypothesis) which outputs an object y ∈ Y {\displaystyle y\in Y} , given x ∈ X {\displaystyle x\in X} . To do so, there is a training set of n {\displaystyle n} examples ( x 1 , y 1 ) , … , ( x n , y n ) {\displaystyle \ (x_{1},y_{1}),\ldots ,(x_{n},y_{n})} where x i ∈ X {\displaystyle x_{i}\in X} is an input and y i ∈ Y {\displaystyle y_{i}\in Y} is the corresponding response that is desired from h ( x i ) {\displaystyle h(x_{i})} . To put it more formally, assuming that there is a joint probability distribution P ( x , y ) {\displaystyle P(x,y)} over X {\displaystyle X} and Y {\displaystyle Y} , and that the training set consists of n {\displaystyle n} instances ( x 1 , y 1 ) , … , ( x n , y n ) {\displaystyle \ (x_{1},y_{1}),\ldots ,(x_{n},y_{n})} drawn i.i.d. from P ( x , y ) {\displaystyle P(x,y)} . The assumption of a joint probability distribution allows for the modelling of uncertainty in predictions (e.g. from noise in data) because y {\displaystyle y} is not a deterministic function of x {\displaystyle x} , but rather a random variable with conditional distribution P ( y | x ) {\displaystyle P(y|x)} for a fixed x {\displaystyle x} . It is also assumed that there is a non-negative real-valued loss function L ( y ^ , y ) {\displaystyle L({\hat {y}},y)} which measures how different the prediction y ^ {\displaystyle {\hat {y}}} of a hypothesis is from the true outcome y {\displaystyle y} . For classification tasks, these loss functions can be scoring rules. The risk associated with hypothesis h ( x ) {\displaystyle h(x)} is then defined as the expectation of the loss function: R ( h ) = E [ L ( h ( x ) , y ) ] = ∫ L ( h ( x ) , y ) d P ( x , y ) . {\displaystyle R(h)=\mathbf {E} [L(h(x),y)]=\int L(h(x),y)\,dP(x,y).} A loss function commonly used in theory is the 0-1 loss function: L ( y ^ , y ) = { 1 if y ^ ≠ y 0 if y ^ = y {\displaystyle L({\hat {y}},y)={\begin{cases}1&{\mbox{ if }}\quad {\hat {y}}\neq y\\0&{\mbox{ if }}\quad {\hat {y}}=y\end{cases}}} . The ultimate goal of a learning algorithm is to find a hypothesis h ∗ {\displaystyle h^{}} among a fixed class of functions H {\displaystyle {\mathcal {H}}} for which the risk R ( h ) {\displaystyle R(h)} is minimal: h ∗ = a r g m i n h ∈ H R ( h ) . {\displaystyle h^{}={\underset {h\in {\mathcal {H}}}{\operatorname {arg\,min} }}\,{R(h)}.} For classification problems, the Bayes classifier is defined to be the classifier minimizing the risk defined with the 0–1 loss function. == Formal definition == In general, the risk R ( h ) {\displaystyle R(h)} cannot be computed because the distribution P ( x , y ) {\displaystyle P(x,y)} is unknown to the learning algorithm. However, given a sample of iid training data points, we can compute an estimate, called the empirical risk, by computing the average of the loss function over the training set; more formally, computing the expectation with respect to the empirical measure: R emp ( h ) = 1 n ∑ i = 1 n L ( h ( x i ) , y i ) . {\displaystyle \!R_{\text{emp}}(h)={\frac {1}{n}}\sum _{i=1}^{n}L(h(x_{i}),y_{i}).} The empirical risk minimization principle states that the learning algorithm should choose a hypothesis h ^ {\displaystyle {\hat {h}}} which minimizes the empirical risk over the hypothesis class H {\displaystyle {\mathcal {H}}} : h ^ = a r g m i n h ∈ H R emp ( h ) . {\displaystyle {\hat {h}}={\underset {h\in {\mathcal {H}}}{\operatorname {arg\,min} }}\,R_{\text{emp}}(h).} Thus, the learning algorithm defined by the empirical risk minimization principle consists in solving the above optimization problem. == Properties == Guarantees for the performance of empirical risk minimization depend strongly on the function class selected as well as the distributional assumptions made. In general, distribution-free methods are too coarse, and do not lead to practical bounds. However, they are still useful in deriving asymptotic properties of learning algorithms, such as consistency. In particular, distribution-free bounds on the performance of empirical risk minimization given a fixed function class can be derived using bounds on the VC complexity of the function class. For simplicity, considering the case of binary classification tasks, it is possible to bound the probability of the selected classifier, ϕ n {\displaystyle \phi _{n}} being much worse than the best possible classifier ϕ ∗ {\displaystyle \phi ^{}} . Consider the risk L {\displaystyle L} defined over the hypothesis class C {\displaystyle {\mathcal {C}}} with growth function S ( C , n ) {\displaystyle {\mathcal {S}}({\mathcal {C}},n)} given a dataset of size n {\displaystyle n} . Then, for every ϵ > 0 {\displaystyle \epsilon >0} : P ( L ( ϕ n ) − L ( ϕ ∗ ) > ϵ ) ≤ 8 S ( C , n ) exp { − n ϵ 2 / 32 } {\displaystyle \mathbb {P} \left(L(\phi _{n})-L(\phi ^{})>\epsilon \right)\leq {\mathcal {8}}S({\mathcal {C}},n)\exp\{-n\epsilon ^{2}/32\}} Similar results hold for regression tasks. These results are often based on uniform laws of large numbers, which control the deviation of the empirical risk from the true risk, uniformly over the hypothesis class. === Impossibility results === It is also possible to show lower bounds on algorithm performance if no distributional assumptions are made. This is sometimes referred to as the No free lunch theorem. Even though a specific learning algorithm may provide the asymptotically optimal performance for any distribution, the finite sample performance is always poor for at least one data distribution. This means that no classifier can improve on the error for a given sample size for all distributions. Specifically, let ϵ > 0 {\displaystyle \epsilon >0} and consider a sample size n {\displaystyle n} and classification rule ϕ n {\displaystyle \phi _{n}} , there exists a distribution of ( X , Y ) {\displaystyle (X,Y)} with risk L ∗ = 0 {\displaystyle L^{}=0} (meaning that perfect prediction is possible) such that: E L n ≥ 1 / 2 − ϵ . {\displaystyle \mathbb {E} L_{n}\geq 1/2-\epsilon .} It is further possible to show that the convergence rate of a learning algorithm is poor for some distributions. Specifically, given a sequence of decreasing positive numbers a i {\displaystyle a_{i}} converging to zero, it is possible to find a distribution such that: E L n ≥ a i {\displaystyle \mathbb {E} L_{n}\geq a_{i}} for all n {\displaystyle n} . This result shows that universally good classification rules do not exist, in the sense that the rule must be low quality for at least one distribution. === Computational complexity === Empirical risk minimization for a classification problem with a 0-1 loss function is known to be an NP-hard problem even for a relatively simple class of functions such as linear classifiers. Nevertheless, it can be solved efficiently when the minimal empirical risk is zero, i.e., data is linearly separable. In practice, machine learning algorithms cope with this issue either by employing a convex approximation to the 0–1 loss function (like hinge loss for SVM), which is easier to optimize, or by imposing assumptions on the distribution P ( x , y ) {\displaystyle P(x,y)} (and thus stop being agnostic learning algorithms to which the above result applies). In the case of convexification, Zhang's lemma majors the excess risk of the original problem using the excess risk of the convexified problem. Minimizing the latter using convex optimization also allow to control the former. == Tilted empirical risk minimization == Tilted empirical risk minimization is a machine learning technique used to modify standard loss functions like squared error, by introducing a tilt parameter. This parameter dynamically adjusts the weight of data points during training, allowing the algorithm to focus on specific regions or characteristics of the data distribution. Tilted empirical risk minimization is particularly useful in scenarios with imbalanced data or when there is a need to emphasize errors in certain parts of the prediction space.
Energy-based model
An energy-based model (EBM), also called Canonical Ensemble Learning (CEL) or Learning via Canonical Ensemble (LCE), is an application of canonical ensemble formulation from statistical physics for learning from data. The approach prominently appears in generative artificial intelligence. EBMs provide a unified framework for many probabilistic and non-probabilistic approaches to such learning, particularly for training graphical and other structured models. An EBM learns the characteristics of a target dataset and generates a similar but larger dataset. EBMs detect the latent variables of a dataset and generate new datasets with a similar distribution. Energy-based generative neural networks is a class of generative models, which aim to learn explicit probability distributions of data in the form of energy-based models, the energy functions of which are parameterized by modern deep neural networks. Boltzmann machines are a special form of energy-based models with a specific parametrization of the energy. == Description == For a given input x {\displaystyle x} , the model describes an energy E θ ( x ) {\displaystyle E_{\theta }(x)} such that the Boltzmann distribution P θ ( x ) = e − β E θ ( x ) Z ( θ ) {\displaystyle P_{\theta }(x)={e^{-\beta E_{\theta }(x)} \over Z(\theta )}} is a probability (density), and typically β = 1 {\displaystyle \beta =1} . Since the normalization constant: Z ( θ ) := ∫ x ∈ X e − β E θ ( x ) d x {\displaystyle Z(\theta ):=\int _{x\in X}e^{-\beta E_{\theta }(x)}dx} (also known as the partition function) depends on all the Boltzmann factors of all possible inputs x {\displaystyle x} , it cannot be easily computed or reliably estimated during training simply using standard maximum likelihood estimation. However, for maximizing the likelihood during training, the gradient of the log-likelihood of a single training example x {\displaystyle x} is given by using the chain rule: ∂ θ log ( P θ ( x ) ) = E x ′ ∼ P θ [ ∂ θ E θ ( x ′ ) ] − ∂ θ E θ ( x ) ( ∗ ) {\displaystyle \partial _{\theta }\log \left(P_{\theta }(x)\right)=\mathbb {E} _{x'\sim P_{\theta }}[\partial _{\theta }E_{\theta }(x')]-\partial _{\theta }E_{\theta }(x)\,()} The expectation in the above formula for the gradient can be approximately estimated by drawing samples x ′ {\displaystyle x'} from the distribution P θ {\displaystyle P_{\theta }} using Markov chain Monte Carlo (MCMC). Early energy-based models, such as the 2003 Boltzmann machine by Hinton, estimated this expectation via blocked Gibbs sampling. Newer approaches make use of more efficient Stochastic Gradient Langevin Dynamics (LD), drawing samples using: x 0 ′ ∼ P 0 , x i + 1 ′ = x i ′ − α 2 ∂ E θ ( x i ′ ) ∂ x i ′ + ϵ {\displaystyle x_{0}'\sim P_{0},x_{i+1}'=x_{i}'-{\frac {\alpha }{2}}{\frac {\partial E_{\theta }(x_{i}')}{\partial x_{i}'}}+\epsilon } , where ϵ ∼ N ( 0 , α ) {\displaystyle \epsilon \sim {\mathcal {N}}(0,\alpha )} . A replay buffer of past values x i ′ {\displaystyle x_{i}'} is used with LD to initialize the optimization module. The parameters θ {\displaystyle \theta } of the neural network are therefore trained in a generative manner via MCMC-based maximum likelihood estimation: the learning process follows an "analysis by synthesis" scheme, where within each learning iteration, the algorithm samples the synthesized examples from the current model by a gradient-based MCMC method (e.g., Langevin dynamics or Hybrid Monte Carlo), and then updates the parameters θ {\displaystyle \theta } based on the difference between the training examples and the synthesized ones – see equation ( ∗ ) {\displaystyle ()} . This process can be interpreted as an alternating mode seeking and mode shifting process, and also has an adversarial interpretation. Essentially, the model learns a function E θ {\displaystyle E_{\theta }} that associates low energies to correct values, and higher energies to incorrect values. After training, given a converged energy model E θ {\displaystyle E_{\theta }} , the Metropolis–Hastings algorithm can be used to draw new samples. The acceptance probability is given by: P a c c ( x i → x ∗ ) = min ( 1 , P θ ( x ∗ ) P θ ( x i ) ) . {\displaystyle P_{acc}(x_{i}\to x^{})=\min \left(1,{\frac {P_{\theta }(x^{})}{P_{\theta }(x_{i})}}\right).} == History == The term "energy-based models" was first coined in a 2003 JMLR paper where the authors defined a generalisation of independent components analysis to the overcomplete setting using EBMs. Other early work on EBMs proposed models that represented energy as a composition of latent and observable variables. == Characteristics == EBMs demonstrate useful properties: Simplicity and stability. The EBM is the only object that needs to be designed and trained. Separate networks need not be trained to ensure balance. Adaptive computation time. An EBM can generate sharp, diverse samples or (more quickly) coarse, less diverse samples. Given infinite time, this procedure produces true samples. Flexibility. In Variational Autoencoders (VAE) and flow-based models, the generator learns a map from a continuous space to a (possibly) discontinuous space containing different data modes. EBMs can learn to assign low energies to disjoint regions (multiple modes). Adaptive generation. EBM generators are implicitly defined by the probability distribution, and automatically adapt as the distribution changes (without training), allowing EBMs to address domains where generator training is impractical, as well as minimizing mode collapse and avoiding spurious modes from out-of-distribution samples. Compositionality. Individual models are unnormalized probability distributions, allowing models to be combined through product of experts or other hierarchical techniques. == Experimental results == On image datasets such as CIFAR-10 and ImageNet 32x32, an EBM model generated high-quality images relatively quickly. It supported combining features learned from one type of image for generating other types of images. It was able to generalize using out-of-distribution datasets, outperforming flow-based and autoregressive models. EBM was relatively resistant to adversarial perturbations, behaving better than models explicitly trained against them with training for classification. == Applications == Target applications include natural language processing, robotics and computer vision. The first energy-based generative neural network is the generative ConvNet proposed in 2016 for image patterns, where the neural network is a convolutional neural network. The model has been generalized to various domains to learn distributions of videos, and 3D voxels. They are made more effective in their variants. They have proven useful for data generation (e.g., image synthesis, video synthesis, 3D shape synthesis, etc.), data recovery (e.g., recovering videos with missing pixels or image frames, 3D super-resolution, etc), data reconstruction (e.g., image reconstruction and linear interpolation ). == Alternatives == EBMs compete with techniques such as variational autoencoders (VAEs), generative adversarial networks (GANs) or normalizing flows. == Extensions == === Joint energy-based models === Joint energy-based models (JEM), proposed in 2020 by Grathwohl et al., allow any classifier with softmax output to be interpreted as energy-based model. The key observation is that such a classifier is trained to predict the conditional probability p θ ( y | x ) = e f → θ ( x ) [ y ] ∑ j = 1 K e f → θ ( x ) [ j ] for y = 1 , … , K and f → θ = ( f 1 , … , f K ) ∈ R K , {\displaystyle p_{\theta }(y|x)={\frac {e^{{\vec {f}}_{\theta }(x)[y]}}{\sum _{j=1}^{K}e^{{\vec {f}}_{\theta }(x)[j]}}}\ \ {\text{ for }}y=1,\dotsc ,K{\text{ and }}{\vec {f}}_{\theta }=(f_{1},\dotsc ,f_{K})\in \mathbb {R} ^{K},} where f → θ ( x ) [ y ] {\displaystyle {\vec {f}}_{\theta }(x)[y]} is the y-th index of the logits f → {\displaystyle {\vec {f}}} corresponding to class y. Without any change to the logits it was proposed to reinterpret the logits to describe a joint probability density: p θ ( y , x ) = e f → θ ( x ) [ y ] Z ( θ ) , {\displaystyle p_{\theta }(y,x)={\frac {e^{{\vec {f}}_{\theta }(x)[y]}}{Z(\theta )}},} with unknown partition function Z ( θ ) {\displaystyle Z(\theta )} and energy E θ ( x , y ) = − f θ ( x ) [ y ] {\displaystyle E_{\theta }(x,y)=-f_{\theta }(x)[y]} . By marginalization, we obtain the unnormalized density p θ ( x ) = ∑ y p θ ( y , x ) = ∑ y e f → θ ( x ) [ y ] Z ( θ ) =: e − E θ ( x ) , {\displaystyle p_{\theta }(x)=\sum _{y}p_{\theta }(y,x)=\sum _{y}{\frac {e^{{\vec {f}}_{\theta }(x)[y]}}{Z(\theta )}}=:e^{-E_{\theta }(x)},} therefore, E θ ( x ) = − log ( ∑ y e f → θ ( x ) [ y ] Z ( θ ) ) , {\displaystyle E_{\theta }(x)=-\log \left(\sum _{y}{\frac {e^{{\vec {f}}_{\theta }(x)[y]}}{Z(\theta )}}\right),} so that any classifier can be used to define an energy function E θ ( x ) {\displaystyle E_{\theta }(x)} .
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