SearcharxivSearch

arXiv subjects

Swagatam Das

Publications and source records attributed to Swagatam Das.

At least 19 recordsLinked to original sources

Optimization Landscape Geometry in VQE for Frustrated Quantum Spin Models

We benchmark eight classical optimizers for exact-statevector VQE calculations on a controlled hierarchy of frustrated spin models, ranging from a diagonal Ising glass to transverse-field Ising and anisotropic Heisenberg models. The benchmark includes local, stochastic-gradient, evolutionary, covariance-adaptation, and swarm-based optimization methods under matched function-evaluation budgets. To understand their performance beyond final energies, we characterize the underlying Hamiltonian--ansatz landscapes in terms of local minima, gradients, curvature, and ground-state reachability. We use simple variational circuits, from an $R_y$ product-state ansatz for the diagonal model to shallow $R_y$--CNOT hardware-efficient circuits for the noncommuting models, and study how increasing circuit depth changes their expressivity, reachability, and optimization geometry. We find that optimizer performance changes substantially across the model hierarchy and is closely connected to landscape structure, while the variational gap represents a separate source of error. These results show how classical optimization, variational expressivity, and landscape geometry jointly determine VQE performance for frustrated spin models.

quant-ph

Identifiability and Order-Dimension Limits of In-Context Learning on Partial Orders

In-context learning is commonly formalized as inference from examples of a function. Partial orders instead combine transitivity, antisymmetry, and incomparability, so a finite prompt may not determine a queried comparison. We develop a theory of in-context learning on partial orders that separates logical identifiability, prompt teaching cost, structural complexity, and the exact capacity of a formal coordinate-decoder class. A version-space semantics makes background knowledge and open- versus closed-world assumptions explicit. For finite open-world prompts with positive and negative comparisons, we prove an exact completion trichotomy: after taking the reflexive transitive closure of the positive demonstrations, a query is forced true, forced false because every true completion creates a cycle or violates a negative demonstration, or remains genuinely ambiguous. For a known $n$-element universe, we characterize the open-world teaching number as the number of covers plus a blocker-set hitting number, prove that its maximum over all $n$-element posets is $n(n-1)$ and is uniquely attained by the antichain, and identify the blocker term as the exact cost of open-world rather than complete-Hasse semantics. We formalize prompt-dependent $s$-coordinate decoders and use the classical coordinate-order equivalence to obtain an exact representation boundary: dimension at most $s$ is necessary and sufficient, while width at most $s$ is a convenient sufficient condition.

cs.LG

Chain-of-Thought Shows the Path to a Tree: Realizing Branching Complexity

Chain of Thought (CoT) lifts the expressive ceiling of bounded-depth Transformers, with characterizations tying the number of CoT steps to circuit complexity classes. What remains largely missing are concrete instantiations with explicit, depth-bounded constructions, and the traversal procedures such characterizations presuppose. We close this gap for branching complexity. We give CoT realizations of depth-first search (DFS) and of Dijkstra algorithm, the latter subsuming breadth-first search, by unique hard-attention decoders of at most two layers, and use them as a shared computational substrate: reusing the DFS decoder yields the Strahler number of an $n$-vertex tree in $2n-1$ steps with four layers, and reusing the Dijkstra decoder yields its width in $n-1$ steps with three. Since computing the Strahler number of a binary tree given as a term is \textsf{NC\textsuperscript{1}}-complete, and our constructions handle arbitrary $n$-ary trees without layer normalization or positional encodings, this is a non-trivial witness for the linear-step regime of the CoT hierarchy. Exploiting the classical bijection between ordered trees and Dyck paths, itself realized by our DFS construction, which emits the path as it traverses, we give independent constructions for both measures on the path representation.

cs.LG

Sharp Concentration Bounds for Bundle-Valued Statistics on Manifolds

Many geometric statistics and manifold learning pipelines routinely produce observations -- such as tangent vectors or local frames -- whose natural home is a varying family of fibers attached to different points of a base manifold, rather than a single shared vector space. Forming empirical averages requires transporting these observations to a common reference fiber, thereby introducing curvature- and holonomy-driven effects that are absent from classical concentration theory. We develop a non-asymptotic concentration theory for such transported empirical means, deriving finite-sample, dimension-free Hoeffding- and Bernstein-type bounds via sharp Hilbert-space inequalities. When shortest paths to the reference point are non-unique, transport becomes path-dependent and introduces a deterministic holonomy bias; we isolate and quantify this bias through bundle curvature and loop geometry, with sharp closed-form formulas for the tangent bundle of a round sphere. The resulting bias-variance decomposition separates the stochastic fluctuation decaying at the classical $n^{-1/2}$ rate in sample size $n$, from a curvature-driven error floor that no amount of additional data can eliminate; minimax lower bounds confirm both terms are unavoidable. We further establish a robust median-of-means estimator achieving optimal rates under heavy tails and the central limit theorem in the reference fiber. Controlled experiments on the sphere validate all theoretical predictions.

cs.LG

CaSPECT: Discovering Causally Homogeneous Subgroups via Directed Spectral Clustering

We propose \textbf{CaSPECT}, a causal spectral clustering framework for discovering causally homogeneous subgroups from observational data. Rather than clustering in covariate space, CaSPECT defines similarity through the topology of a learned directed acyclic graph (DAG); a bootstrap-stabilised PC algorithm recovers the causal skeleton; a novel \emph{Orientation Validation Score} (OVS) combines PC bootstrap evidence with DirectLiNGAM to orient edges robustly; directed edges are weighted by backdoor-identified average treatment effects estimated via OLS or double machine learning. Chung's directed Laplacian provides a spectral embedding in which individuals close together share the same causal propagation pathways. We establish almost-sure consistency of the full pipeline and validate the method through a controlled simulation study and on LaLonde CPS1, IHDP, and 401(k) datasets, where CaSPECT recovers a positive and statistically significant treatment effect within the causally comparable subpopulation and corrects for severe confounding without requiring a pre-specified propensity score model.

stat.ME

A New Framework for Convex Clustering in Kernel Spaces: Finite Sample Bounds, Consistency and Performance Insights

Convex clustering is a well-regarded clustering method, resembling the similar centroid-based approach of Lloyd's $k$-means, without requiring a predefined cluster count. It starts with each data point as its centroid and iteratively merges them. Despite its advantages, this method can fail when dealing with data exhibiting linearly non-separable or non-convex structures. To mitigate the limitations, we propose a kernelized extension of the convex clustering method. This approach projects the data points into a Reproducing Kernel Hilbert Space (RKHS) using a feature map, enabling convex clustering in this transformed space. This kernelization not only allows for better handling of complex data distributions but also produces an embedding in a finite-dimensional vector space. We provide a comprehensive theoretical underpinning for our kernelized approach, proving algorithmic convergence and establishing finite sample bounds for our estimates. The effectiveness of our method is demonstrated through extensive experiments on both synthetic and real-world datasets, showing superior performance compared to state-of-the-art clustering techniques. This work marks a significant advancement in the field, offering an effective solution for clustering in non-linear and non-convex data scenarios.

stat.ML

On the Existence of Universal Simulators of Attention

Previous work on the learnability of transformers \textemdash\ focused primarily on examining their ability to approximate specific algorithmic patterns through training \textemdash\ has largely been data-driven, offering only probabilistic guarantees rather than deterministic solutions. Expressivity, on the contrary, has been devised to address the problems \emph{computable} by such architecture theoretically. These results proved the Turing-completeness of transformers, investigated bounds focused on circuit complexity, and formal logic. Being at the crossroad between learnability and expressivity, the question remains: \emph{can a transformer, as a computational model, simulate an arbitrary attention mechanism, or in particular, the underlying operations?} In this study, we investigate the transformer encoder's ability to simulate a vanilla attention mechanism. By constructing a universal simulator $\mathcal{U}$ composed of transformer encoders, we present algorithmic solutions to replicate attention outputs and the underlying elementary matrix and activation operations via RASP, a formal framework for transformer computation. We show the existence of an algorithmically achievable, data-agnostic solution, previously known to be approximated only by learning.

cs.LG

A Longitudinal Analysis of the CEC Single-Objective Competitions (2010-2024) and Implications for Variational Quantum Optimization

This paper provides a historical analysis of the IEEE CEC Single Objective Optimization competition results (2010-2024). We analyze how benchmark functions shaped winning algorithms, identifying the 2014 introduction of dense rotation matrices as a key performance filter. This design choice introduced parameter non-separability, reduced effectiveness of coordinate-dependent methods (PSO, GA), and established the dominance of Differential Evolution variants capable of preserving the rotational invariance of their difference vectors, specifically L-SHADE. Post-2020 analysis reveals a shift towards high complexity hybrid optimizers that combine different mechanisms (e.g., Eigenvector Crossover, Societal Sharing, Reinforcement Learning) to maximize ranking stability. We conclude by identifying structural similarities between these modern benchmarks and Variational Quantum Algorithm landscapes, suggesting that evolved CEC solvers possess the specific adaptive capabilities required for quantum control.

quant-ph

MK-SGC-SC: Multiple Kernel Guided Sparse Graph Construction in Spectral Clustering for Unsupervised Speaker Diarization

Speaker diarization aims to segment audio recordings into regions corresponding to individual speakers. Although unsupervised speaker diarization is inherently challenging, the prospect of identifying speaker regions without pretraining or weak supervision motivates research on clustering techniques. In this work, we share the notable observation that measuring multiple kernel similarities of speaker embeddings to thereafter craft a sparse graph for spectral clustering in a principled manner is sufficient to achieve state-of-the-art performances in a fully unsupervised setting. Specifically, we consider four polynomial kernels and a degree one arccosine kernel to measure similarities in speaker embeddings, using which sparse graphs are constructed in a principled manner to emphasize local similarities. Experiments show the proposed approach excels in unsupervised speaker diarization over a variety of challenging environments in the DIHARD-III, AMI, and VoxConverse corpora. To encourage further research, our implementations are available at https://github.com/nikhilraghav29/MK-SGC-SC.

eess.AS

ARREST: Adversarial Resilient Regulation Enhancing Safety and Truth in Large Language Models

Human cognition, driven by complex neurochemical processes, oscillates between imagination and reality and learns to self-correct whenever such subtle drifts lead to hallucinations or unsafe associations. In recent years, LLMs have demonstrated remarkable performance in a wide range of tasks. However, they still lack human cognition to balance factuality and safety. Bearing the resemblance, we argue that both factual and safety failures in LLMs arise from a representational misalignment in their latent activation space, rather than addressing those as entirely separate alignment issues. We hypothesize that an external network, trained to understand the fluctuations, can selectively intervene in the model to regulate falsehood into truthfulness and unsafe output into safe output without fine-tuning the model parameters themselves. Reflecting the hypothesis, we propose ARREST (Adversarial Resilient Regulation Enhancing Safety and Truth), a unified framework that identifies and corrects drifted features, engaging both soft and hard refusals in addition to factual corrections. Our empirical results show that ARREST not only regulates misalignment but is also more versatile compared to the RLHF-aligned models in generating soft refusals due to adversarial training. We make our codebase available at https://github.com/sharanya-dasgupta001/ARREST.

cs.CL

Hyperbolic Gaussian Blurring Mean Shift: A Statistical Mode-Seeking Framework for Clustering in Curved Spaces

Clustering is a fundamental unsupervised learning task for uncovering patterns in data. While Gaussian Blurring Mean Shift (GBMS) has proven effective for identifying arbitrarily shaped clusters in Euclidean space, it struggles with datasets exhibiting hierarchical or tree-like structures. In this work, we introduce HypeGBMS, a novel extension of GBMS to hyperbolic space. Our method replaces Euclidean computations with hyperbolic distances and employs Möbius-weighted means to ensure that all updates remain consistent with the geometry of the space. HypeGBMS effectively captures latent hierarchies while retaining the density-seeking behavior of GBMS. We provide theoretical insights into convergence and computational complexity, along with empirical results that demonstrate improved clustering quality in hierarchical datasets. This work bridges classical mean-shift clustering and hyperbolic representation learning, offering a principled approach to density-based clustering in curved spaces. Extensive experimental evaluations on $11$ real-world datasets demonstrate that HypeGBMS significantly outperforms conventional mean-shift clustering methods in non-Euclidean settings, underscoring its robustness and effectiveness.

cs.LG

Grounding the Ungrounded: A Spectral-Graph Framework for Quantifying Hallucinations in Multimodal LLMs

Hallucinations in LLMs--especially in multimodal settings--undermine reliability. We present a rigorous information-geometric framework, grounded in diffusion dynamics, to quantify hallucinations in MLLMs where model outputs are embedded via spectral decompositions of multimodal graph Laplacians, and their gaps to a truth manifold define a semantic distortion metric. We derive Courant-Fischer bounds on a temperature-dependent hallucination profile and use RKHS eigenmodes to obtain modality-aware, interpretable measures that track evolution over prompts and time. This reframes hallucination as quantifiable and bounded, providing a principled basis for evaluation and mitigation.

cs.LG

HalluShift++: Bridging Language and Vision through Internal Representation Shifts for Hierarchical Hallucinations in MLLMs

Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in vision-language understanding tasks. While these models often produce linguistically coherent output, they often suffer from hallucinations, generating descriptions that are factually inconsistent with the visual content, potentially leading to adverse consequences. Therefore, the assessment of hallucinations in MLLM has become increasingly crucial in the model development process. Contemporary methodologies predominantly depend on external LLM evaluators, which are themselves susceptible to hallucinations and may present challenges in terms of domain adaptation. In this study, we propose the hypothesis that hallucination manifests as measurable irregularities within the internal layer dynamics of MLLMs, not merely due to distributional shifts but also in the context of layer-wise analysis of specific assumptions. By incorporating such modifications, \textsc{\textsc{HalluShift++}} broadens the efficacy of hallucination detection from text-based large language models (LLMs) to encompass multimodal scenarios. Our codebase is available at https://github.com/C0mRD/HalluShift_Plus.

cs.CL

Convex Clustering Redefined: Robust Learning with the Median of Means Estimator

Clustering approaches that utilize convex loss functions have recently attracted growing interest in the formation of compact data clusters. Although classical methods like k-means and its wide family of variants are still widely used, all of them require the number of clusters k to be supplied as input, and many are notably sensitive to initialization. Convex clustering provides a more stable alternative by formulating the clustering task as a convex optimization problem, ensuring a unique global solution. However, it faces challenges in handling high-dimensional data, especially in the presence of noise and outliers. Additionally, strong fusion regularization, controlled by the tuning parameter, can hinder effective cluster formation within a convex clustering framework. To overcome these challenges, we introduce a robust approach that integrates convex clustering with the Median of Means (MoM) estimator, thus developing an outlier-resistant and efficient clustering framework that does not necessitate prior knowledge of the number of clusters. By leveraging the robustness of MoM alongside the stability of convex clustering, our method enhances both performance and efficiency, especially on large-scale datasets. Theoretical analysis demonstrates weak consistency under specific conditions, while experiments on synthetic and real-world datasets validate the method's superior performance compared to existing approaches.

stat.ML

Free Denoising Diffusion Models

We develop a free-probabilistic framework for denoising diffusion, in which the data is a self-adjoint operator and its law a spectral distribution. The forward process is the free Ornstein--Uhlenbeck diffusion, whose spectral marginals solve a nonlocal Fokker--Planck equation of complex Burgers type carried by the Hilbert transform. Organising the analysis around the $1$-convexity of the free energy along free Wasserstein geodesics, we recover, in the form required by the diffusion schedule, the free logarithmic Sobolev, Talagrand and HWI inequalities of Biane, Hiai--Petz--Ueda and Ledoux--Popescu, together with a dissipation identity and the convergence of a free Jordan--Kinderlehrer--Otto scheme. Specialising Dabrowski's time reversal of free diffusions, we obtain the reverse-time equation, whose drift involves Voiculescu's conjugate variable; the latter is square-integrable at every positive time, with an explicit bound along the schedule. A free Tweedie identity yields a consistent score-matching objective and a finite-dimensional algorithm. For operator-valued volatility, we compute the spectral velocity field, match it to a Hermitian matrix model, and show that the resulting diffusion admits neither a spectral Lamperti reduction nor a Wasserstein gradient-flow structure unless the coefficient is constant. We further give a threshold for the survival of a spectral gap along the flow, in terms of the second-order Cauchy kernel of the initial law, and report numerical experiments.

math.PR

Rebalancing with Calibrated Sub-classes (RCS): A Statistical Fusion-based Framework for Robust Imbalanced Classification across Modalities

Class imbalance, where certain classes have insufficient data, poses a critical challenge for robust classification, often biasing models toward majority classes. Distribution calibration offers a promising avenue to address this by estimating more accurate class distributions. In this work, we propose Rebalancing with Calibrated Sub-classes (RCS) - a novel distribution calibration framework for robust imbalanced classification. RCS aims to fuse statistical information from the majority and intermediate class distributions via a weighted mixture of Gaussian components to estimate minority class parameters more accurately. An encoder-decoder network is trained to preserve structural relationships in imbalanced datasets and prevent feature disentanglement. Post-training, encoder-extracted feature vectors are leveraged to generate synthetic samples guided by the calibrated distributions. This fusion-based calibration effectively mitigates overgeneralization by incorporating neighborhood distribution information rather than relying solely on majority-class statistics. Extensive experiments on diverse image, text, and tabular datasets demonstrate that RCS consistently outperforms several baseline and state-of-the-art methods, highlighting its effectiveness and broad applicability in addressing real-world imbalanced classification challenges.

cs.LG

APFEx: Adaptive Pareto Front Explorer for Intersectional Fairness

Ensuring fairness in machine learning models is critical, especially when biases compound across intersecting protected attributes like race, gender, and age. While existing methods address fairness for single attributes, they fail to capture the nuanced, multiplicative biases faced by intersectional subgroups. We introduce Adaptive Pareto Front Explorer (APFEx), the first framework to explicitly model intersectional fairness as a joint optimization problem over the Cartesian product of sensitive attributes. APFEx combines three key innovations- (1) an adaptive multi-objective optimizer that dynamically switches between Pareto cone projection, gradient weighting, and exploration strategies to navigate fairness-accuracy trade-offs, (2) differentiable intersectional fairness metrics enabling gradient-based optimization of non-smooth subgroup disparities, and (3) theoretical guarantees of convergence to Pareto-optimal solutions. Experiments on four real-world datasets demonstrate APFEx's superiority, reducing fairness violations while maintaining competitive accuracy. Our work bridges a critical gap in fair ML, providing a scalable, model-agnostic solution for intersectional fairness.

cs.LG

Learning from Heterophilic Graphs: A Spectral Theory Perspective on the Impact of Self-Loops and Parallel Edges

Graph heterophily poses a formidable challenge to the performance of Message-passing Graph Neural Networks (MP-GNNs). The familiar low-pass filters like Graph Convolutional Networks (GCNs) face performance degradation, which can be attributed to the blending of the messages from dissimilar neighboring nodes. The performance of the low-pass filters on heterophilic graphs still requires an in-depth analysis. In this context, we update the heterophilic graphs by adding a number of self-loops and parallel edges. We observe that eigenvalues of the graph Laplacian decrease and increase respectively by increasing the number of self-loops and parallel edges. We conduct several studies regarding the performance of GCN on various benchmark heterophilic networks by adding either self-loops or parallel edges. The studies reveal that the GCN exhibited either increasing or decreasing performance trends on adding self-loops and parallel edges. In light of the studies, we established connections between the graph spectra and the performance trends of the low-pass filters on the heterophilic graphs. The graph spectra characterize the essential intrinsic properties of the input graph like the presence of connected components, sparsity, average degree, cluster structures, etc. Our work is adept at seamlessly evaluating graph spectrum and properties by observing the performance trends of the low-pass filters without pursuing the costly eigenvalue decomposition. The theoretical foundations are also discussed to validate the impact of adding self-loops and parallel edges on the graph spectrum.

cs.LG