SearcharxivSearch

arXiv subjects

Santosh Kumar Radha

Publications and source records attributed to Santosh Kumar Radha.

At least 19 recordsLinked to original sources

UWM-JEPA: Predictive World Models That Imagine in Belief Space

World models for partially observed environments must imagine multiple compatible hidden futures and steer between them under counterfactual actions. Joint Embedding Predictive Architectures (JEPAs) do this in latent space, but a vector-valued latent has no internal structure for carrying the belief over hidden continuations through blind rollout. We introduce the Unitary World Model JEPA (UWM-JEPA), a JEPA world model with a density-matrix latent on a joint system-environment space and a learned unitary predictor. The construction preserves the joint-state spectrum exactly during rollout, so the predictor itself cannot dissipate the represented uncertainty. On a hidden-velocity indicator task requiring five-step forward simulation under a given action sequence with the target observation masked, UWM-JEPA reaches 0.77 accuracy and degrades monotonically as actions are perturbed; a parameter-matched LSTM-JEPA trained under the same counterfactual-target objective and action head collapses to majority-class accuracy (0.53) under every action condition. Under blind rollout, UWM-JEPA loses fewer than ten points of probe R^2 at short horizons while vector-latent baselines lose forty-one and sixty-eight; both nevertheless tie on a held-out context probe, locating the separation in the predictor rather than the encoder. Action sensitivity itself requires training against counterfactual rather than teacher-forced targets, a finding that applies beyond the unitary parameterisation. For JEPA world models to imagine under partial observability, latent geometry and predictor dynamics matter, not frozen context-encoding capacity alone.

cs.LG

Improving BM25 Code Retrieval Under Fixed Generic Tokenization: Adaptive q-Log Odds as a Drop-In BM25 Fix

In retrieval-augmented coding, failures often begin when the relevant file is absent from the retrieved context. Under frozen generic tokenization, where a BM25 index has been built by a search system whose analyzer the practitioner does not control, this failure is routine: BM25's logarithmic RSJ-odds IDF under-separates the identifier tail that distinguishes one function from another. We replace the outer logarithm of the Robertson-Spärck-Jones odds with a q-logarithm. At q=1 the transform recovers BM25 exactly by L'Hôpital's rule, and for q<1 it is a Box-Cox transform of the RSJ odds with lambda = 1-q. On CoIR CodeSearchNet Go (182K documents), oracle-tuned NDCG@10 rises from 0.2575 to 0.4874 (absolute +0.2299; +89.3% relative; zero sign reversals in 10,000 paired-bootstrap resamples, reported as p <= 10^-4). The effect is graded across code languages and is near-zero on BEIR text. A one-parameter closed form estimates a corpus-level q from hapax density and stays near q=1 on corpora where BM25 is already optimal. The index-time cost is a single pass over the sparse score matrix and query latency is unchanged. A tokenizer ablation shows that identifier-aware tokenization largely removes the incremental gain from q-IDF.

cs.IR

Adaptive Graph of Thoughts: Test-Time Adaptive Reasoning Unifying Chain, Tree, and Graph Structures

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, yet their performance is highly dependent on the prompting strategy and model scale. While reinforcement learning and fine-tuning have been deployed to boost reasoning, these approaches incur substantial computational and data overhead. In this work, we introduce Adaptive Graph of Thoughts (AGoT), a dynamic, graph-based inference framework that enhances LLM reasoning solely at test time. Rather than relying on fixed-step methods like Chain of Thought (CoT) or Tree of Thoughts (ToT), AGoT recursively decomposes complex queries into structured subproblems, forming an dynamic directed acyclic graph (DAG) of interdependent reasoning steps. By selectively expanding only those subproblems that require further analysis, AGoT unifies the strengths of chain, tree, and graph paradigms into a cohesive framework that allocates computation where it is most needed. We validate our approach on diverse benchmarks spanning multi-hop retrieval, scientific reasoning, and mathematical problem-solving, achieving up to 46.2% improvement on scientific reasoning tasks (GPQA) - comparable to gains achieved through computationally intensive reinforcement learning approaches and outperforming state-of-the-art iterative approaches. These results suggest that dynamic decomposition and structured recursion offer a scalable, cost-effective alternative to post-training modifications, paving the way for more robust, general-purpose reasoning in LLMs.

cs.AI

On the Reasoning Capacity of AI Models and How to Quantify It

Recent advances in Large Language Models (LLMs) have intensified the debate surrounding the fundamental nature of their reasoning capabilities. While achieving high performance on benchmarks such as GPQA and MMLU, these models exhibit limitations in more complex reasoning tasks, highlighting the need for more rigorous evaluation methodologies. We propose a novel phenomenological approach that goes beyond traditional accuracy metrics to probe the underlying mechanisms of model behavior, establishing a framework that could broadly impact how we analyze and understand AI systems. Using positional bias in multiple-choice reasoning tasks as a case study, we demonstrate how systematic perturbations can reveal fundamental aspects of model decision-making. To analyze these behaviors, we develop two complementary phenomenological models: a Probabilistic Mixture Model (PMM) that decomposes model responses into reasoning, memorization, and guessing components and an Information-Theoretic Consistency (ITC) analysis that quantifies the relationship between model confidence and strategy selection. Through controlled experiments on reasoning benchmarks, we show that true reasoning remains challenging for current models, with apparent success often relying on sophisticated combinations of memorization and pattern matching rather than genuine logical deduction. More fundamentally, we demonstrate that accuracy alone often overstates a model's reasoning abilities, as model behavior can be characterized through underlying mechanisms in the phase space of cognitive strategies, revealing how models dynamically balance different approaches when responding to queries. This framework enables quantitative criteria for real-world deployments, allowing applications to specify reliability thresholds based on strategy distributions rather than aggregate performance metrics.

cs.AI

Composite Learning Units: Generalized Learning Beyond Parameter Updates to Transform LLMs into Adaptive Reasoners

Human learning thrives on the ability to learn from mistakes, adapt through feedback, and refine understanding-processes often missing in static machine learning models. In this work, we introduce Composite Learning Units (CLUs) designed to transform reasoners, such as Large Language Models (LLMs), into learners capable of generalized, continuous learning without conventional parameter updates while enhancing their reasoning abilities through continual interaction and feedback. CLUs are built on an architecture that allows a reasoning model to maintain and evolve a dynamic knowledge repository: a General Knowledge Space for broad, reusable insights and a Prompt-Specific Knowledge Space for task-specific learning. Through goal-driven interactions, CLUs iteratively refine these knowledge spaces, enabling the system to adapt dynamically to complex tasks, extract nuanced insights, and build upon past experiences autonomously. We demonstrate CLUs' effectiveness through a cryptographic reasoning task, where they continuously evolve their understanding through feedback to uncover hidden transformation rules. While conventional models struggle to grasp underlying logic, CLUs excel by engaging in an iterative, goal-oriented process. Specialized components-handling knowledge retrieval, prompt generation, and feedback analysis-work together within a reinforcing feedback loop. This approach allows CLUs to retain the memory of past failures and successes, adapt autonomously, and apply sophisticated reasoning effectively, continually learning from mistakes while also building on breakthroughs.

cs.LG

Iteration of Thought: Leveraging Inner Dialogue for Autonomous Large Language Model Reasoning

Iterative human engagement is a common and effective means of leveraging the advanced language processing power of large language models (LLMs). Using well-structured prompts in a conversational manner, human users can effectively influence an LLM to develop more thoughtful and accurate responses. Motivated by this insight, we propose the Iteration of Thought (IoT) framework for enhancing LLM responses by generating "thought"-provoking prompts vis a vis an input query and the current iteration of an LLM's response. Unlike static or semi-static approaches, e.g. Chain of Thought (CoT) or Tree of Thoughts (ToT), IoT adapts its reasoning path dynamically, based on evolving context, and without generating alternate explorative thoughts which are ultimately discarded. The three components of the IoT framework are (1) an Inner Dialogue Agent (IDA) responsible for generating instructive, context-specific prompts; (2) an LLM Agent (LLMA) that processes these prompts to refine its responses; and (3) an iterative prompting loop that implements a conversation between the former two components. We introduce two variants of our framework: Autonomous Iteration of Thought (AIoT), where an LLM decides when to stop iterating, and Guided Iteration of Thought (GIoT), which always forces a fixed number iterations. We investigate the performance of IoT across various datasets, spanning complex reasoning tasks from the GPQA dataset, explorative problem-solving in Game of 24, puzzle solving in Mini Crosswords, and multi-hop question answering from the HotpotQA dataset. Our results show that IoT represents a viable paradigm for autonomous response refinement in LLMs, showcasing significant improvements over CoT and thereby enabling more adaptive and efficient reasoning systems that minimize human intervention.

cs.CL

Quasiparticle band structure and excitonic optical response in V2O5 bulk and monolayer

The electronic band structure of V$_2$O$_5$ is calculated using an all-electron quasiparticle self-consistent (QS) $GW$ method, including electron-hole ladder diagrams in the screening of $W$. The optical dielectric function calculated with the Bethe-Salpeter equation exhibits excitons with large binding energy, consistent with spectroscopic ellipsometry data and other recent calculations. Sharp peaks in the direction perpendicular to the layers at high energy are found to be an artifact of the truncation of the numbers of bands included in the BSE calculation of the macroscopic dielectric function. The $\varepsilon_1(ω=0)$ gives indices of refraction in good agreement with experiment. The excitons are charge transfer excitons with the hole primarily on oxygen and electrons on vanadium, but depending on which exciton, the distribution over different oxygens changes. The exciton wave functions have a spread of about 5-15Å, with asymmetric character for the electron distribution around the hole depending on which oxygen the hole is fixed at. The monolayer quasiparticle gap increases inversely proportional to interlayer distance once the initial interlayer covalent couplings are removed which is thanks to the long-range nature of the self-energy and the reduced screening in a 2D system. The optical gap on the other hand is relatively independent of interlayer spacing because of the compensation between the self-energy gap shift and the exciton binding energy, both of which are proportional to the screened Coulomb interaction $\hat{W}$. Recent experimental results on very thin layer V$_2$O$_5$ obtained by chemical exfoliation provide experimental support for an increase in gap.

cond-mat.mtrl-sci

Parallel hybrid quantum-classical machine learning for kernelized time-series classification

Supervised time-series classification garners widespread interest because of its applicability throughout a broad application domain including finance, astronomy, biosensors, and many others. In this work, we tackle this problem with hybrid quantum-classical machine learning, deducing pairwise temporal relationships between time-series instances using a time-series Hamiltonian kernel (TSHK). A TSHK is constructed with a sum of inner products generated by quantum states evolved using a parameterized time evolution operator. This sum is then optimally weighted using techniques derived from multiple kernel learning. Because we treat the kernel weighting step as a differentiable convex optimization problem, our method can be regarded as an end-to-end learnable hybrid quantum-classical-convex neural network, or QCC-net, whose output is a data set-generalized kernel function suitable for use in any kernelized machine learning technique such as the support vector machine (SVM). Using our TSHK as input to a SVM, we classify univariate and multivariate time-series using quantum circuit simulators and demonstrate the efficient parallel deployment of the algorithm to 127-qubit superconducting quantum processors using quantum multi-programming.

quant-ph

Electronic structure and magnetism in P4/nmm KCoO2

KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic structure has not been studied until now. Unlike Co atoms in LiCoO2 and NaCoO2 in octahedral coordination, which are non-magnetic band structure insulators, the unusual coordination of d6 Co^{3+} in KCoO2 is here shown to lead to a magnetic stabilization of an insulating structure with high magnetic moments of 4μB per Co. The electronic band structure is calculated using the quasiparticle self-consistent (QS)GW method and the basic formation of magnetic moments is explained in terms of the orbital decomposition of the bands. The optical dielectric function is calculated using the Bethe-Salpeter equation including only transitions between equal spin bands. The magnetic moments are shown to prefer an antiferromagnetic ordering along the [110] direction. Exchange interactions are calculated from the transverse spin susceptibility and a rigid spin approximation. The Néel temperature is estimated using the mean-field and Tyablikov methods and found to be between approximately 100 and 250 K. The band structure in the AFM ordering can be related to the FM ordering by band folding effects. The optical spectra are similar in both structures and show evidence of excitonic features below the quasiparticle gap of about 4 eV.

cond-mat.str-el

Quantum-Classical Multiple Kernel Learning

As quantum computers become increasingly practical, so does the prospect of using quantum computation to improve upon traditional algorithms. Kernel methods in machine learning is one area where such improvements could be realized in the near future. Paired with kernel methods like support-vector machines, small and noisy quantum computers can evaluate classically-hard quantum kernels that capture unique notions of similarity in data. Taking inspiration from techniques in classical machine learning, this work investigates simulated quantum kernels in the context of multiple kernel learning (MKL). We consider pairwise combinations of several classical-classical, quantum-quantum, and quantum-classical kernels in an empirical investigation of their classification performance with support-vector machines. We also introduce a novel approach, which we call QCC-net (quantum-classical-convex neural network), for optimizing the weights of base kernels together with any kernel parameters. We show this approach to be effective for enhancing various performance metrics in an MKL setting. Looking at data with an increasing number of features (up to 13 dimensions), we find parameter training to be important for successfully weighting kernels in some combinations. Using the optimal kernel weights as indicators of relative utility, we find growing contributions from trainable quantum kernels in quantum-classical kernel combinations as the number of features increases. We observe the opposite trend for combinations containing simpler, non-parametric quantum kernels.

quant-ph

Workflows Community Summit 2022: A Roadmap Revolution

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a cloud-based data preprocessing pipeline to multi-facility instrument-to-edge-to-HPC computational workflows. Given the changing landscape of scientific computing and the evolving needs of emerging scientific applications, it is paramount that the development of novel scientific workflows and system functionalities seek to increase the efficiency, resilience, and pervasiveness of existing systems and applications. Specifically, the proliferation of machine learning/artificial intelligence (ML/AI) workflows, need for processing large scale datasets produced by instruments at the edge, intensification of near real-time data processing, support for long-term experiment campaigns, and emergence of quantum computing as an adjunct to HPC, have significantly changed the functional and operational requirements of workflow systems. Workflow systems now need to, for example, support data streams from the edge-to-cloud-to-HPC enable the management of many small-sized files, allow data reduction while ensuring high accuracy, orchestrate distributed services (workflows, instruments, data movement, provenance, publication, etc.) across computing and user facilities, among others. Further, to accelerate science, it is also necessary that these systems implement specifications/standards and APIs for seamless (horizontal and vertical) integration between systems and applications, as well as enabling the publication of workflows and their associated products according to the FAIR principles. This document reports on discussions and findings from the 2022 international edition of the Workflows Community Summit that took place on November 29 and 30, 2022.

cs.DC

A Quantum-Inspired Binary Optimization Algorithm for Representative Selection

Advancements in quantum computing are fuelling emerging applications across disciplines, including finance, where quantum and quantum-inspired algorithms can now make market predictions, detect fraud, and optimize portfolios. Expanding this toolbox, we propose the selector algorithm: a method for selecting the most representative subset of data from a larger dataset. The selected subset includes data points that simultaneously meet the two requirements of being maximally close to neighboring data points and maximally far from more distant data points where the precise notion of distance is given by any kernel or generalized similarity function. The cost function encoding the above requirements naturally presents itself as a Quadratic Unconstrained Binary Optimization (QUBO) problem, which is well-suited for quantum optimization algorithms - including quantum annealing. While the selector algorithm has applications in multiple areas, it is particularly useful in finance, where it can be used to build a diversified portfolio from a more extensive selection of assets. After experimenting with synthetic datasets, we show two use cases for the selector algorithm with real data: (1) approximately reconstructing the NASDAQ 100 index using a subset of stocks, and (2) diversifying a portfolio of cryptocurrencies. In our analysis of use case (2), we compare the performance of two quantum annealers provided by D-Wave Systems.

quant-ph

Quantum Variational Rewinding for Time Series Anomaly Detection

Electron dynamics, financial markets and nuclear fission reactors, though seemingly unrelated, all produce observable characteristics evolving with time. Within this broad scope, departures from normal temporal behavior range from academically interesting to potentially catastrophic. New algorithms for time series anomaly detection (TAD) are therefore certainly in demand. With the advent of newly accessible quantum processing units (QPUs), exploring a quantum approach to TAD is now relevant and is the topic of this work. Our approach - Quantum Variational Rewinding, or, QVR - trains a family of parameterized unitary time-devolution operators to cluster normal time series instances encoded within quantum states. Unseen time series are assigned an anomaly score based upon their distance from the cluster center, which, beyond a given threshold, classifies anomalous behavior. After a first demonstration with a simple and didactic case, QVR is used to study the real problem of identifying anomalous behavior in cryptocurrency market data. Finally, multivariate time series from the cryptocurrency use case are studied using IBM's Falcon r5.11H family of superconducting transmon QPUs, where anomaly score errors resulting from hardware noise are shown to be reducible by as much as 20% using advanced error mitigation techniques.

quant-ph

A quantum generative model for multi-dimensional time series using Hamiltonian learning

Synthetic data generation has proven to be a promising solution for addressing data availability issues in various domains. Even more challenging is the generation of synthetic time series data, where one has to preserve temporal dynamics, i.e., the generated time series must respect the original relationships between variables across time. Recently proposed techniques such as generative adversarial networks (GANs) and quantum-GANs lack the ability to attend to the time series specific temporal correlations adequately. We propose using the inherent nature of quantum computers to simulate quantum dynamics as a technique to encode such features. We start by assuming that a given time series can be generated by a quantum process, after which we proceed to learn that quantum process using quantum machine learning. We then use the learned model to generate out-of-sample time series and show that it captures unique and complex features of the learned time series. We also study the class of time series that can be modeled using this technique. Finally, we experimentally demonstrate the proposed algorithm on an 11-qubit trapped-ion quantum machine.

quant-ph

Wasserstein Solution Quality and the Quantum Approximate Optimization Algorithm: A Portfolio Optimization Case Study

Optimizing of a portfolio of financial assets is a critical industrial problem which can be approximately solved using algorithms suitable for quantum processing units (QPUs). We benchmark the success of this approach using the Quantum Approximate Optimization Algorithm (QAOA); an algorithm targeting gate-model QPUs. Our focus is on the quality of solutions achieved as determined by the Normalized and Complementary Wasserstein Distance, $η$, which we present in a manner to expose the QAOA as a transporter of probability. Using $η$ as an application specific benchmark of performance, we measure it on selection of QPUs as a function of QAOA circuit depth $p$. At $n = 2$ (2 qubits) we find peak solution quality at $p=5$ for most systems and for $n = 3$ this peak is at $p=4$ on a trapped ion QPU. Increasing solution quality with $p$ is also observed using variants of the more general Quantum Alternating Operator Ansätz at $p=2$ for $n = 2$ and $3$ which has not been previously reported. In identical measurements, $η$ is observed to be variable at a level exceeding the noise produced from the finite number of shots. This suggests that variability itself should be regarded as a QPU performance benchmark for given applications. While studying the ideal execution of QAOA, we find that $p=1$ solution quality degrades when the portfolio budget $B$ approaches $n/2$ and increases when $B \approx 1$ or $n-1$. This trend directly corresponds to the binomial coefficient $nCB$ and is connected with the recently reported phenomenon of reachability deficits. Derivative-requiring and derivative-free classical optimizers are benchmarked on the basis of the achieved $η$ beyond $p=1$ to find that derivative-free optimizers are generally more effective for the given computational resources, problem sizes and circuit depths.

quant-ph

Knitting quantum knots: Topological phase transitions in Two-Dimensional systems

We start by describing a symmetry enforced nodal line semi-metal (NLSM) in the 2D flat form of honeycomb Group - V and its non trivial thermo-electric response. We will then proceed to show that, upon buckling, the system undergoes its dirac-merging phase transitions. Further buckling leads to these unpinned Dirac cones annihilating in pairs at two distinct critical angle leading to a second topological phase transition to an insulating state. We then show that this seemingly innocuous insulating state is indeed a weak topological crystalline insulator. Furthermore, upon closer look, this insulating state turns out to be a Higher Order Topological Insulator (HOTI) that is protected by $\mathcal{S}_6$ symmetry. In a broader context, we will see that the the topological properties of buckled Group - $V$ stem from the fact that they topologically belong to the class of Obstructed Atomic Limit (OAL) insulators. Combining all these, we will prove that annihilating pairs of Dirac fermions necessitate a topological phase transition from the critical semi-metallic phase to an OAL insulator phase. We also uncover the rich set of phases in the phase diagram in case of annihilating Dirac fermions and study their entanglement properties using entanglement entropy. Finally, based on the non-trivial topology of these systems, we propose the conceptual design of a quantized switch that is protected by topology. Last part of the thesis involves the remarkable discovery of a spin polarized 2D electron/hole gas at the surfaces of a well known system - LiCoO2.

cond-mat.mtrl-sci

Generalized quantum similarity learning

The similarity between objects is significant in a broad range of areas. While similarity can be measured using off-the-shelf distance functions, they may fail to capture the inherent meaning of similarity, which tends to depend on the underlying data and task. Moreover, conventional distance functions limit the space of similarity measures to be symmetric and do not directly allow comparing objects from different spaces. We propose using quantum networks (GQSim) for learning task-dependent (a)symmetric similarity between data that need not have the same dimensionality. We analyze the properties of such similarity function analytically (for a simple case) and numerically (for a complex case) and showthat these similarity measures can extract salient features of the data. We also demonstrate that the similarity measure derived using this technique is $(ε,γ,τ)$-good, resulting in theoretically guaranteed performance. Finally, we conclude by applying this technique for three relevant applications - Classification, Graph Completion, Generative modeling.

quant-ph

Quantum constraint learning for quantum approximate optimization algorithm

The quantum approximate optimization algorithm (QAOA) is a hybrid quantum-classical variational algorithm that offers the potential to handle combinatorial optimization problems. Introducing constraints in such combinatorial optimization problems poses a significant challenge in the extensions of QAOA to support relevant larger-scale problems. This paper introduces a quantum machine learning approach to learn the mixer Hamiltonian required to hard constrain the search subspace. We show that this method can be used for encoding any general form of constraints. One can directly plug the learnt unitary into the QAOA framework using an adaptable ansatz. This procedure gives the flexibility to control the depth of the circuit at the cost of the accuracy of enforcing the constraint, thus having immediate application in the Noisy Intermediate Scale Quantum (NISQ) era. We also develop an intuitive metric that uses Wasserstein distance to assess the performance of general approximate optimization algorithms with/without constraints. Finally, using this metric, we evaluate the performance of the proposed algorithm.

quant-ph