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Anant Kumar

Publications and source records attributed to Anant Kumar.

9 recordsLinked to original sources

A Differentiable Programming Framework for Accurate and Stable Reduced-Order Modeling of Chaotic Flows

Classical Proper Orthogonal Decomposition (POD)-based Galerkin projection models of chaotic flows typically require a large number of modes as well as stabilization or closure terms to achieve adequate accuracy and long-term stability. We present a novel differentiable programming framework that stabilizes low-rank POD-Galerkin models without increasing the number of modes or introducing additional closure terms, thereby delivering both high efficiency and high accuracy. Model stabilization is achieved by tuning the linear and quadratic tensors in the POD-Galerkin using differentiable programming, trained on short-term trajectory data. A key finding of this study is that a purely point-wise trajectory-based loss function yields poor long-term accuracy for chaotic systems. In contrast, a hybrid loss function that combines trajectory error with a physics-based conservation-of-energy term provides superior long-term performance. We demonstrate the approach on a chaotic lid-driven cavity flow at Re = 30,000. The stabilized ROM achieves an order-of-magnitude reduction in computational cost compared with the classical POD-Galerkin method: it remains accurate and stable with only 20 modes, whereas the classical ROM requires 80 POD modes.

physics.comp-ph

Counting Patterns in Degenerate Graphs in Constant Space

For a fixed pattern graph, we study the algorithmic complexity of counting homomorphisms, subgraph isomorphisms, and induced subgraph isomorphisms into an $n$-vertex, $d$-degenerate host graph. Bressan (Algorithmica, 2021) introduced the notion of DAG treewidth and showed that counting homomorphisms and induced subgraphs can be performed efficiently using dynamic programming that requires polynomial space. In this work, we introduce a new graph parameter, called DAG treedepth, which enables efficient divide-and-conquer algorithms for counting homomorphisms in $d$-degenerate host graphs using only constant space. Bera, Gishboliner, Levanzov, Seshadhri, and Shapira (SODA, 2021) showed that a pattern graph has DAG treewidth one if and only if it contains no induced cycle of length at least six. This induced minor characterization leads to linear-time and linear-space algorithms. Building on this line of work, we derive an induced-minor characterization of graphs with DAG treedepth at most two that uses only constant space. Recently, Paul-Pena and Seshadhri (ICALP, 2025) proved that all pattern graphs on at most nine vertices can be counted in subquadratic time using polynomial space. We show that every pattern graph on at most nine vertices can be counted as an induced subgraph in $O(n^3)$ time using only constant space. Moreover, we show that patterns on at most eleven vertices can be counted in $O(n^2)$ time using polynomial space. Finally, we present a constant-space algorithm for counting induced subgraphs that matches the running time of Bressan algorithm. We further show that, when polynomial space is allowed, homomorphisms, subgraph isomorphisms, and induced subgraph isomorphisms can be counted faster than Bressan algorithm. In addition, we establish several other results related to DAG treewidth and DAG treedepth that may be of independent interest.

cs.DS

Local Fragments, Global Gains: Subgraph Counting using Graph Neural Networks

Subgraph counting is a fundamental task for analyzing structural patterns in graph-structured data, with important applications in domains such as computational biology and social network analysis, where recurring motifs reveal functional and organizational properties. In this paper, we propose localized versions of the Weisfeiler-Leman (WL) algorithms to improve both expressivity and computational efficiency for this task. We introduce Local $k$-WL, which we prove to be more expressive than $k$-WL and at most as expressive as $(k+1)$-WL, and provide a characterization of patterns whose subgraph and induced subgraph counts are invariant under Local $k$-WL equivalence. To enhance scalability, we present two variants -- Layer $k$-WL and Recursive $k$-WL -- that achieve greater time and space efficiency compared to applying $k$-WL on the entire graph. Additionally, we propose a novel fragmentation technique that decomposes complex subgraphs into simpler subpatterns, enabling the exact count of all induced subgraphs of size at most $4$ using only $1$-WL, with extensions possible for larger patterns when $k>1$. Building on these ideas, we develop a three-stage differentiable learning framework that combines subpattern counts to compute counts of more complex motifs, bridging combinatorial algorithm design with machine learning approaches. We also compare the expressive power of Local $k$-WL with existing GNN hierarchies and demonstrate that, under bounded time complexity, our methods are more expressive than prior approaches.

cs.LG

The Isomorphism Problem of Power Graphs and a Question of Cameron

The isomorphism problem for graphs (GI) and the isomorphism problem for groups (GrISO) have been studied extensively by researchers. The current best algorithms for both these problems run in quasipolynomial time. In this paper, we study the isomorphism problem of graphs that are defined in terms of groups, namely power graphs, directed power graphs, and enhanced power graphs. It is not enough to check the isomorphism of the underlying groups to solve the isomorphism problem of such graphs as the power graphs (or the directed power graphs or the enhanced power graphs) of two nonisomorphic groups can be isomorphic. Nevertheless, it is interesting to ask if the underlying group structure can be exploited to design better isomorphism algorithms for these graphs. We design polynomial time algorithms for the isomorphism problems for the power graphs, the directed power graphs and the enhanced power graphs arising from finite nilpotent groups. In contrast, no polynomial time algorithm is known for the group isomorphism problem, even for nilpotent groups of class 2. We note that our algorithm does not require the underlying groups of the input graphs to be given. The isomorphism problems of power graphs and enhanced power graphs are solved by first computing the directed power graphs from the input graphs. The problem of efficiently computing the directed power graph from the power graph or the enhanced power graph is due to Cameron [IJGT'22]. Therefore, we give a solution to Cameron's question.

cs.DS

Linear Space Data Structures for Finite Groups with Constant Query-time

A finite group of order $n$ can be represented by its Cayley table. In the word-RAM model the Cayley table of a group of order $n$ can be stored using $O(n^2)$ words and can be used to answer a multiplication query in constant time. It is interesting to ask if we can design a data structure to store a group of order $n$ that uses $o(n^2)$ space but can still answer a multiplication query in constant time. We design a constant query-time data structure that can store any finite group using $O(n)$ words where $n$ is the order of the group. Farzan and Munro (ISSAC 2006) gave an information theoretic lower bound of $\Omega(n)$ on the number of words to store a group of order $n$. Since our data structure achieves this lower bound and answers queries in constant time, it is optimal in both space usage and query-time. A crucial step in the process is essentially to design linear space and constant query-time data structures for nonabelian simple groups. The data structures for nonableian simple groups are designed using a lemma that we prove using the Classification Theorem for Finite Simple Groups (CFSG).

cs.DS

Finding and Counting Patterns in Sparse Graphs

We consider algorithms for finding and counting small, fixed graphs in sparse host graphs. In the non-sparse setting, the parameters treedepth and treewidth play a crucial role in fast, constant-space and polynomial-space algorithms respectively. We discover two new parameters that we call matched treedepth and matched treewidth. We show that finding and counting patterns with low matched treedepth and low matched treewidth can be done asymptotically faster than the existing algorithms when the host graphs are sparse for many patterns. As an application to finding and counting fixed-size patterns, we discover $\otilde(m^3)$-time \footnote{$\otilde$ hides factors that are logarithmic in the input size.}, constant-space algorithms for cycles of length at most $11$ and $\otilde(m^2)$-time, polynomial-space algorithms for paths of length at most $10$.

cs.DS

Title Redacted

arXiv admin note: This version removed by arXiv administrators as the submitter did not have the right to agree to the license at the time of submission

cs.CV

Polar molecular ordering in the Nx phase of bimesogens and enantiotopic discrimination in the NMR spectra of rigid prochiral solutes

The potential of mean torque governing the orientational ordering of prochiral solutes in the two nematic phases (N and Nx) formed by certain classes of symmetric achiral bimesogens is formulated and used for the analysis of existing NMR measurements on solutes of various symmetries dissolved in the two phases. Three distinct attributes of the solvent phase, namely polarity of the orientational ordering, chirality of the constituent molecules and spatial modulation of the local director, are identified as underlying three possible mechanisms for the generation of chiral asymmetry in the low temperature nematic phase (Nx). The role and quantitative contribution of each mechanism to enantiotopic discrimination in the NX phase are presented and compared with the case of the conventional chiral nematic phase (N*). It is found that polar ordering is essential for the appearance of enantiotopic discrimination in small rigid solutes dissolved in the Nx phase and that such discrimination is restricted to solutes belonging to the point group symmetries $C_s$ and $C_{2v}$.

cond-mat.soft

Molecular Interactions in Chiral Nematic Liquid Crystals and Enantiotopic Discrimination through the NMR Spectra of Achiral Molecules I: Rigid Solutes

We have developed a molecular theory for the enantiotopic discrimination in prochiral solutes dissolved in chiral nematic solvents by means of NMR spectroscopy. The leading rank tensor contributions to the proposed potential of mean torque include symmetric as well as antisymmetric terms with respect to spatial inversion, these lead to a consistent determination of all the prochiral solute symmetries for which enantiotopes are distinguishable by NMR and also to excellent quantitative agreement when tested against the available experimental data for the rigid solute acenaphthene and for the moderately flexible ethanol.

cond-mat.soft