arXiv subjects

Sanjeeb Dash

Publications and source records attributed to Sanjeeb Dash.

At least 19 recordsLinked to original sources

arXiv2026

Disjunctive Sum of Squares

We introduce the concept of disjunctive sum of squares for certifying nonnegativity of polynomials. Unlike the popular sum of squares approach where nonnegativity is certified by a single algebraic identity, the disjunctive sum of squares approach certifies nonnegativity with multiple algebraic identities which can be found in parallel. Our main result is a disjunctive Positivstellensatz proving that we can keep the degree of each algebraic identity as low as the degree of the polynomial whose nonnegativity is in question. Based on this result, we construct a semidefinite programming based converging hierarchy of lower bounds for the problem of minimizing a polynomial over a compact basic semialgebraic set, where the size of the largest semidefinite constraint is fixed throughout the hierarchy. We further prove a second disjunctive Positivstellensatz which leads to an optimization-free hierarchy for polynomial optimization. We specialize this result to the problem of proving copositivity of matrices. Finally, we describe how the disjunctive sum of squares approach can be combined with a branch-and-bound algorithm and we present numerical experiments on polynomial, copositive, and combinatorial optimization problems.

math.OC↗

arXiv2025

Cutting Planes for Binarized Network Flow Problems

We consider integer programming problems with bounded general-integer variables belonging to the general class of network flow problems. For those, we computationally investigate the effect on mixed-integer linear programming (MIP) solvers of the different ways of producing extended formulations that replace a bounded general integer variable by a linear combination of a set of auxiliary binary variables linked by additional linear constraints. We show that MILP solvers perform very differently depending on which extended formulations is used and we interpret that different performance through the lens of cutting planes generation. Finally, we discuss a simple family of mixed-integer rounding inequalities that especially benefit from the reformulation, and we show its benefit within different MIP solvers. This provides methodological and practical guidelines for the use of those extended formulations in MIP and, to the best of our knowledge, this is the first extensive computational analysis of the topic. All our data and tables are publicly available at https://github.com/anton-derkach1/binarizations.

math.OC↗

arXiv2025

Bridging the Gap Between Scientific Laws Derived by AI Systems and Canonical Knowledge via Abductive Inference with AI-Noether

Advances in AI have shown great potential in contributing to the acceleration of scientific discovery. Symbolic regression can fit interpretable models to data, but these models are not necessarily derivable from established theory. Recent systems (e.g., AI-Descartes, AI-Hilbert) enforce derivability from prior knowledge. However, when existing theories are incomplete or incorrect, these machine-generated hypotheses may fall outside the theoretical scope. Automatically finding corrections to axiom systems to close this gap remains a central challenge in scientific discovery. We propose a solution: an open-source algebraic geometry-based system that, given an incomplete axiom system expressible as polynomials and a hypothesis that the axioms cannot derive, generates a minimal set of candidate axioms that, when added to the theory, provably derive the (possibly noisy) hypothesis. We illustrate the efficacy of our approach by showing that it can reconstruct key axioms required to derive the carrier-resolved photo-Hall effect, Einstein's relativistic laws, and several other laws.

cs.AI↗

arXiv2025

The Need for Verification in AI-Driven Scientific Discovery

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate discovery across diverse fields. However, the abundance of hypotheses introduces a critical challenge: without scalable and reliable mechanisms for verification, scientific progress risks being hindered rather than being advanced. In this article, we trace the historical development of scientific discovery, examine how AI is reshaping established practices for scientific discovery, and review the principal approaches, ranging from data-driven methods and knowledge-aware neural architectures to symbolic reasoning frameworks and LLM agents. While these systems can uncover patterns and propose candidate laws, their scientific value ultimately depends on rigorous and transparent verification, which we argue must be the cornerstone of AI-assisted discovery.

cs.AI↗

arXiv2023

Obtaining Explainable Classification Models using Distributionally Robust Optimization

Model explainability is crucial for human users to be able to interpret how a proposed classifier assigns labels to data based on its feature values. We study generalized linear models constructed using sets of feature value rules, which can capture nonlinear dependencies and interactions. An inherent trade-off exists between rule set sparsity and its prediction accuracy. It is computationally expensive to find the right choice of sparsity -- e.g., via cross-validation -- with existing methods. We propose a new formulation to learn an ensemble of rule sets that simultaneously addresses these competing factors. Good generalization is ensured while keeping computational costs low by utilizing distributionally robust optimization. The formulation utilizes column generation to efficiently search the space of rule sets and constructs a sparse ensemble of rule sets, in contrast with techniques like random forests or boosting and their variants. We present theoretical results that motivate and justify the use of our distributionally robust formulation. Extensive numerical experiments establish that our method improves over competing methods -- on a large set of publicly available binary classification problem instances -- with respect to one or more of the following metrics: generalization quality, computational cost, and explainability.

stat.ML↗

arXiv2023

Evolving Scientific Discovery by Unifying Data and Background Knowledge with AI Hilbert

The discovery of scientific formulae that parsimoniously explain natural phenomena and align with existing background theory is a key goal in science. Historically, scientists have derived natural laws by manipulating equations based on existing knowledge, forming new equations, and verifying them experimentally. In recent years, data-driven scientific discovery has emerged as a viable competitor in settings with large amounts of experimental data. Unfortunately, data-driven methods often fail to discover valid laws when data is noisy or scarce. Accordingly, recent works combine regression and reasoning to eliminate formulae inconsistent with background theory. However, the problem of searching over the space of formulae consistent with background theory to find one that best fits the data is not well-solved. We propose a solution to this problem when all axioms and scientific laws are expressible via polynomial equalities and inequalities and argue that our approach is widely applicable. We model notions of minimal complexity using binary variables and logical constraints, solve polynomial optimization problems via mixed-integer linear or semidefinite optimization, and prove the validity of our scientific discoveries in a principled manner using Positivstellensatz certificates. The optimization techniques leveraged in this paper allow our approach to run in polynomial time with fully correct background theory under an assumption that the complexity of our derivation is bounded), or non-deterministic polynomial (NP) time with partially correct background theory. We demonstrate that some famous scientific laws, including Kepler's Third Law of Planetary Motion, the Hagen-Poiseuille Equation, and the Radiated Gravitational Wave Power equation, can be derived in a principled manner from axioms and experimental data.

cs.AI↗

arXiv2022

Bayesian Experimental Design for Symbolic Discovery

This study concerns the formulation and application of Bayesian optimal experimental design to symbolic discovery, which is the inference from observational data of predictive models taking general functional forms. We apply constrained first-order methods to optimize an appropriate selection criterion, using Hamiltonian Monte Carlo to sample from the prior. A step for computing the predictive distribution, involving convolution, is computed via either numerical integration, or via fast transform methods.

cs.LG↗

arXiv2021

Interpretable and Fair Boolean Rule Sets via Column Generation

This paper considers the learning of Boolean rules in disjunctive normal form (DNF, OR-of-ANDs, equivalent to decision rule sets) as an interpretable model for classification. An integer program is formulated to optimally trade classification accuracy for rule simplicity. We also consider the fairness setting and extend the formulation to include explicit constraints on two different measures of classification parity: equality of opportunity and equalized odds. Column generation (CG) is used to efficiently search over an exponential number of candidate rules without the need for heuristic rule mining. To handle large data sets, we propose an approximate CG algorithm using randomization. Compared to three recently proposed alternatives, the CG algorithm dominates the accuracy-simplicity trade-off in 8 out of 16 data sets. When maximized for accuracy, CG is competitive with rule learners designed for this purpose, sometimes finding significantly simpler solutions that are no less accurate. Compared to other fair and interpretable classifiers, our method is able to find rule sets that meet stricter notions of fairness with a modest trade-off in accuracy.

cs.LG↗

arXiv2021

Rule Induction in Knowledge Graphs Using Linear Programming

We present a simple linear programming (LP) based method to learn compact and interpretable sets of rules encoding the facts in a knowledge graph (KG) and use these rules to solve the KG completion problem. Our LP model chooses a set of rules of bounded complexity from a list of candidate first-order logic rules and assigns weights to them. The complexity bound is enforced via explicit constraints. We combine simple rule generation heuristics with our rule selection LP to obtain predictions with accuracy comparable to state-of-the-art codes, even while generating much more compact rule sets. Furthermore, when we take as input rules generated by other codes, we often improve interpretability by reducing the number of chosen rules, while maintaining accuracy.

cs.AI↗

arXiv2021

On Polytopes with Linear Rank with respect to Generalizations of the Split Closure

In this paper we study the rank of polytopes contained in the 0-1 cube with respect to $t$-branch split cuts and $t$-dimensional lattice cuts for a fixed positive integer $t$. These inequalities are the same as split cuts when $t=1$ and generalize split cuts when $t > 1$. For polytopes contained in the $n$-dimensional 0-1 cube, the work of Balas implies that the split rank can be at most $n$, and this bound is tight as Cornu\'ejols and Li gave an example with split rank $n$. All known examples with high split rank -- i.e., at least $cn$ for some positive constant $c < 1$ -- are defined by exponentially many (as a function of $n$) linear inequalities. For any fixed integer $t > 0$, we give a family of polytopes contained in $[0,1]^n$ for sufficiently large $n$ such that each polytope has empty integer hull, is defined by $O(n)$ inequalities, and has rank $\Omega(n)$ with respect to $t$-dimensional lattice cuts. Therefore the split rank of these polytopes is $\Omega(n)$. It was shown earlier that there exist generalized branch-and-bound proofs, with logarithmic depth, of the nonexistence of integer points in these polytopes. Therefore, our lower bound results on split rank show an exponential separation between the depth of branch-and-bound proofs and split rank.

math.OC↗

arXiv2021

AI Descartes: Combining Data and Theory for Derivable Scientific Discovery

Scientists have long aimed to discover meaningful formulae which accurately describe experimental data. A common approach is to manually create mathematical models of natural phenomena using domain knowledge, and then fit these models to data. In contrast, machine-learning algorithms automate the construction of accurate data-driven models while consuming large amounts of data. The problem of incorporating prior knowledge in the form of constraints on the functional form of a learned model (e.g., nonnegativity) has been explored in the literature. However, finding models that are consistent with prior knowledge expressed in the form of general logical axioms (e.g., conservation of energy) is an open problem. We develop a method to enable principled derivations of models of natural phenomena from axiomatic knowledge and experimental data by combining logical reasoning with symbolic regression. We demonstrate these concepts for Kepler's third law of planetary motion, Einstein's relativistic time-dilation law, and Langmuir's theory of adsorption, automatically connecting experimental data with background theory in each case. We show that laws can be discovered from few data points when using formal logical reasoning to distinguish the correct formula from a set of plausible formulas that have similar error on the data. The combination of reasoning with machine learning provides generalizeable insights into key aspects of natural phenomena. We envision that this combination will enable derivable discovery of fundamental laws of science and believe that our work is an important step towards automating the scientific method.

cs.AI↗

arXiv2021

Multilinear Sets with Two Monomials and Cardinality Constraints

Binary polynomial optimization is equivalent to the problem of minimizing a linear function over the intersection of the multilinear set with a polyhedron. Many families of valid inequalities for the multilinear set are available in the literature, though giving a polyhedral characterization of the convex hull is not tractable in general as binary polynomial optimization is NP-hard. In this paper, we study the cardinality constrained multilinear set in the special case when the number of monomials is exactly two. We give an extended formulation, with two more auxiliary variables and exponentially many inequalities, of the convex hull of solutions of the standard linearization of this problem. We also show that the separation problem can be solved efficiently.

math.OC↗

arXiv2021

Integer Programming for Causal Structure Learning in the Presence of Latent Variables

The problem of finding an ancestral acyclic directed mixed graph (ADMG) that represents the causal relationships between a set of variables is an important area of research on causal inference. Most existing score-based structure learning methods focus on learning directed acyclic graph (DAG) models without latent variables. A number of score-based methods have recently been proposed for the ADMG learning, yet they are heuristic in nature and do not guarantee an optimal solution. We propose a novel exact score-based method that solves an integer programming (IP) formulation and returns a score-maximizing ancestral ADMG for a set of continuous variables that follow a multivariate Gaussian distribution. We generalize the state-of-the-art IP model for DAG learning problems and derive new classes of valid inequalities to formulate an IP model for ADMG learning. Empirically, our model can be solved efficiently for medium-sized problems and achieves better accuracy than state-of-the-art score-based methods as well as benchmark constraint-based methods.

cs.LG↗

arXiv2020

Convexifying Multilinear Sets with Cardinality Constraints: Structural Properties, Nested Case and Extensions

The problem of minimizing a multilinear function of binary variables is a well-studied NP-hard problem. The set of solutions of the standard linearization of this problem is called the multilinear set. We study a cardinality constrained version of it with upper and lower bounds on the number of nonzero variables. We call the set of solutions of the standard linearization of this problem a multilinear set with cardinality constraints. We characterize a set of conditions on these multilinear terms (called properness) and observe that under these conditions the convex hull description of the set is tractable via an extended formulation. We then give an explicit polyhedral description of the convex hull when the multilinear terms have a nested structure. Our description has an exponential number of inequalities which can be separated in polynomial time. Finally, we generalize these inequalities to obtain valid inequalities for the general case.

math.OC↗

arXiv2020

On a generalization of the Chvatal-Gomory closure

Many practical integer programming problems involve variables with one or two-sided bounds. Dunkel and Schulz (2012) considered a strengthened version of Chvatal-Gomory (CG) inequalities that use 0-1 bounds on variables, and showed that the set of points in a rational polytope that satisfy all these strengthened inequalities is a polytope. Recently, we generalized this result by considering strengthened CG inequalities that use all variable bounds. In this paper, we generalize further by considering not just variable bounds, but general linear constraints on variables. We show that all points in a rational polyhedron that satisfy such strengthened CG inequalities form a rational polyhedron. We also consider mixed-integer sets defined by linear constraints, to which we extend our polyhedrality result by defining the strengthened CG inequalities on integer variables.

math.OC↗

arXiv2020

Multilabel Classification by Hierarchical Partitioning and Data-dependent Grouping

In modern multilabel classification problems, each data instance belongs to a small number of classes from a large set of classes. In other words, these problems involve learning very sparse binary label vectors. Moreover, in large-scale problems, the labels typically have certain (unknown) hierarchy. In this paper we exploit the sparsity of label vectors and the hierarchical structure to embed them in low-dimensional space using label groupings. Consequently, we solve the classification problem in a much lower dimensional space and then obtain labels in the original space using an appropriately defined lifting. Our method builds on the work of (Ubaru & Mazumdar, 2017), where the idea of group testing was also explored for multilabel classification. We first present a novel data-dependent grouping approach, where we use a group construction based on a low-rank Nonnegative Matrix Factorization (NMF) of the label matrix of training instances. The construction also allows us, using recent results, to develop a fast prediction algorithm that has a logarithmic runtime in the number of labels. We then present a hierarchical partitioning approach that exploits the label hierarchy in large scale problems to divide up the large label space and create smaller sub-problems, which can then be solved independently via the grouping approach. Numerical results on many benchmark datasets illustrate that, compared to other popular methods, our proposed methods achieve competitive accuracy with significantly lower computational costs.

cs.LG↗

arXiv2020

Symbolic Regression using Mixed-Integer Nonlinear Optimization

The Symbolic Regression (SR) problem, where the goal is to find a regression function that does not have a pre-specified form but is any function that can be composed of a list of operators, is a hard problem in machine learning, both theoretically and computationally. Genetic programming based methods, that heuristically search over a very large space of functions, are the most commonly used methods to tackle SR problems. An alternative mathematical programming approach, proposed in the last decade, is to express the optimal symbolic expression as the solution of a system of nonlinear equations over continuous and discrete variables that minimizes a certain objective, and to solve this system via a global solver for mixed-integer nonlinear programming problems. Algorithms based on the latter approach are often very slow. We propose a hybrid algorithm that combines mixed-integer nonlinear optimization with explicit enumeration and incorporates constraints from dimensional analysis. We show that our algorithm is competitive, for some synthetic data sets, with a state-of-the-art SR software and a recent physics-inspired method called AI Feynman.

cs.LG↗

arXiv2019

Generalized Linear Rule Models

This paper considers generalized linear models using rule-based features, also referred to as rule ensembles, for regression and probabilistic classification. Rules facilitate model interpretation while also capturing nonlinear dependences and interactions. Our problem formulation accordingly trades off rule set complexity and prediction accuracy. Column generation is used to optimize over an exponentially large space of rules without pre-generating a large subset of candidates or greedily boosting rules one by one. The column generation subproblem is solved using either integer programming or a heuristic optimizing the same objective. In experiments involving logistic and linear regression, the proposed methods obtain better accuracy-complexity trade-offs than existing rule ensemble algorithms. At one end of the trade-off, the methods are competitive with less interpretable benchmark models.

cs.LG↗