Recent advancements in visualizing deep neural networks provide insights into their structures and mesh extraction from Continuous Piecewise Affine (CPWA) functions. Meanwhile, developments in neural surface representation learning incorporate non-linear positional encoding, addressing issues like spectral bias; however, this poses challenges in applying mesh extraction techniques based on CPWA functions.

First distribution Facility location IPs are generated by perturbing the costs and capacities of a base facility location IP . In our experiments, we add five cuts at the root of the B&C tree. More details about these scoring rules can be found in Balcan et al. B.1 Example in two dimensions Consider the LP max{ x + y: x 1, y 0, y x} . (Figure 4).

In the first paper (part I) of this series of two, we introduce four novel definitions of the ODT problems: three for size-constrained trees and one for depth-constrained trees. These definitions are stated unambiguously through executable recursive programs, satisfying all criteria we propose for a formal specification. In this sense, they resemble the "standard form" used in the study of general-purpose solvers. Grounded in algebraic programming theory-a relational formalism for deriving correct-by-construction algorithms from specifications-we can not only establish the existence or nonexistence of dynamic programming solutions but also derive them constructively whenever they exist. Consequently, the four generic problem definitions yield four novel optimal algorithms for ODT problems with arbitrary splitting rules that satisfy the axioms and objective functions of a given form. These algorithms encompass the known depth-constrained, axis-parallel ODT algorithm as the special case, while providing a unified, efficient, and elegant solution for the general ODT problem. In Part II, we present the first optimal hypersurface decision tree algorithm and provide comprehensive experiments against axis-parallel decision tree algorithms, including heuristic CART and state-of-the-art optimal methods. The results demonstrate the significant potential of decision trees with flexible splitting rules. Moreover, our framework is readily extendable to support algorithms for constructing even more flexible decision trees, including those with mixed splitting rules.

Collective variables (CVs) play a crucial role in capturing rare events in high-dimensional systems, motivating the continual search for principled approaches to their design. In this work, we revisit the framework of quantitative coarse graining and identify the orthogonality condition from Legoll and Lelievre (2010) as a key criterion for constructing CVs that accurately preserve the statistical properties of the original process. We establish that satisfaction of the orthogonality condition enables error estimates for both relative entropy and pathwise distance to scale proportionally with the degree of scale separation. Building on this foundation, we introduce a general numerical method for designing neural network-based CVs that integrates tools from manifold learning with group-invariant featurization. To demonstrate the efficacy of our approach, we construct CVs for butane and achieve a CV that reproduces the anti-gauche transition rate with less than ten percent relative error. Additionally, we provide empirical evidence challenging the necessity of uniform positive definiteness in diffusion tensors for transition rate reproduction and highlight the critical role of light atoms in CV design for molecular dynamics.

Recent advancements in visualizing deep neural networks provide insights into their structures and mesh extraction from Continuous Piecewise Affine (CPWA) functions. Meanwhile, developments in neural surface representation learning incorporate non-linear positional encoding, addressing issues like spectral bias; however, this poses challenges in applying mesh extraction techniques based on CPWA functions. Moreover, we introduce a method for approximating intersecting points among three hypersurfaces contributing to broader applications.

We develop a geometric approximation theory for deep feed-forward neural networks with ReLU activations. Given a $d$-dimensional hypersurface in $\mathbb{R}^{d+1}$ represented as the graph of a $C^2$-function $\phi$, we show that a deep fully-connected ReLU network of width $d+1$ can implicitly construct an approximation as its zero contour with a precision bound depending on the number of layers. This result is directly applicable to the binary classification setting where the sign of the network is trained as a classifier, with the network's zero contour as a decision boundary. Our proof is constructive and relies on the geometrical structure of ReLU layers provided in [doi:10.48550/arXiv.2310.03482]. Inspired by this geometrical description, we define a new equivalent network architecture that is easier to interpret geometrically, where the action of each hidden layer is a projection onto a polyhedral cone derived from the layer's parameters. By repeatedly adding such layers, with parameters chosen such that we project small parts of the graph of $\phi$ from the outside in, we, in a controlled way, construct a network that implicitly approximates the graph over a ball of radius $R$. The accuracy of this construction is controlled by a discretization parameter $\delta$ and we show that the tolerance in the resulting error bound scales as $(d-1)R^{3/2}\delta^{1/2}$ and the required number of layers is of order $d\big(\frac{32R}{\delta}\big)^{\frac{d+1}{2}}$.

We show that hybrid quantum classifiers based on quantum kernel methods and support vector machines are vulnerable against adversarial attacks, namely small engineered perturbations of the input data can deceive the classifier into predicting the wrong result. Nonetheless, we also show that simple defence strategies based on data augmentation with a few crafted perturbations can make the classifier robust against new attacks. Our results find applications in security-critical learning problems and in mitigating the effect of some forms of quantum noise, since the attacker can also be understood as part of the surrounding environment.