Abstract

We present the emergence of topological phase transition in the minimal model of two-dimensional rockpaper- scissors cycle in the form of a doublet chain. The evolutionary dynamics of the doublet chain is obtained by solving the anti-symmetric Lotka-Volterra equation. We show that the mass decays exponentially towards edges and robust against small perturbation in the rate of change of mass transfer, a signature of a topological phase. For one of the configuration of our doublet chain, the mass is transferred towards both edges and the bulk is gaped. Further, we confirm this phase transition within the framework of topological band theory. For this, we calculate the winding number, which change from zero to one for trivial and nontrivial topological phases, respectively.

Abstract

We introduce a new information-theoretic measure to characterize non-Markovianity in a tripartite quantum state of genuine quantum origin. This measure reveals a novel tripartite quantum correlation and may be interpreted as entanglement between two systems when conditioned on the third (memory) system. We formulate a convex resource-theoretic framework to characterize genuine quantum non-Markovianity in states as a quantum resource and provide operational meaning to this resource in various information processing tasks.

Abstract

Cloud Operations (CloudOps) is a rapidly growing field focused on the automated management and optimization of cloud infrastructure which is essential for organizations navigating increasingly complex cloud environments. MontyCloud Inc. is one of the major companies in the CloudOps domain that leverages autonomous bots to manage cloud compliance, security, and continuous operations. To make the platform more accessible and effective to the customers, we leveraged the use of GenAI. Developing a GenAI-based solution for autonomous CloudOps for the existing MontyCloud system presented us with various challenges such as i) diverse data sources; ii) orchestration of multiple processes; and iii) handling complex workflows to automate routine tasks. To this end, we developed MOYA, a multi-agent framework that leverages GenAI and balances autonomy with the necessary human control. This framework integrates various internal and external systems and is optimized for factors like task orchestration, security, and error mitigation while producing accurate, reliable, and relevant insights by utilizing Retrieval Augmented Generation (RAG). Evaluations of our multi-agent system with the help of practitioners as well as using automated checks demonstrate enhanced accuracy, responsiveness, and effectiveness over non-agentic approaches across complex workflows.

Abstract

In this work, we introduce and characterize a broad class of quantum operations with a unique fixed point, termed quantum ergodic channels. We derive Lindblad-type master equations for these channels in arbitrary finite dimensions and analyze their non-Markovian dynamics using established measures. When the fixed point is a passive state, the channels exhibit ergotropy dynamics with notable thermodynamic implications. Specifically, under Markovian processes, ergotropy (a measure of the extractable work from a system under unitary evolution) monotonically decreases. However, in non-Markovian dynamics, ergotropy fluctuates, leading to a backflow effect that highlights memory-induced resource recovery. Our findings suggest that this ergotropy backflow could serve as an operationally meaningful indicator of non-Markovianity, offering new perspectives on the interplay between memory effects and thermodynamic behavior in open quantum systems. This study enhances the theoretical framework for understanding energy dynamics under ergodic channels and highlights new avenues for exploring the implications of memory effects in quantum batteries.

Abstract

Over a decade, efforts have been made to extend data science-based approaches to improve the process of drug-target interactions (DTIs) by modeling drugs and targets as graphs. From a drug discovery point of view, a pharmacophore, a subgraph of a drug candidate, is an essential structural and chemical feature necessary for interacting with a specific biological target. Effective identification of potential pharmacophores from a given candidate drug is a research issue. In the literature, efforts are being made to investigate machine learning and Graph Neural Network (GNN) based frameworks to identify the potential drug candidates for a given target. However, the problem of extracting the knowledge of the potential pharmacophore of the given candidate drug has not been explored. There is an opportunity to extract pharmacophores from drug candidates by exploiting the knowledge of potential subgraphs extracted through a trained GNN model. In this paper, we propose a two-phase GNN-based framework for identifying drug candidates and extracting potential pharmacophores from these candidates. The framework consists of two parts. First, we employ a GNN-based model to compute the affinity score for the given drug compound. Second, by employing the Monte Carlo Tree Search (MCTS) algorithm, the trained GNN is leveraged to extract potential subgraphs representing pharmacophores. The experimental results on the Davis, Kiba and Allergy datasets demonstrate the feasibility of the proposed approach to extract pharmacophores of candidate drugs with high performance. The predicted binding affinities of molecular subgraphs extracted from drug candidates are very similar to those of the corresponding drug candidates. The proposed approach helps explore the potential pharmacophore of the given candidate drug, which enhances the explainability of DTI to obtain deeper insights into crucial molecular interactions.

Abstract

Navigation amongst densely packed crowds remains a challenge for mobile robots. The complexity increases further if the environment layout changes, making the prior computed global plan infeasible. In this paper, we show that it is possible to dramatically enhance crowd navigation by just improving the local planner. Our approach combines generative modelling with inference time optimization to generate sophisticated long-horizon local plans at interactive rates. More specifically, we train a Vector Quantized Variational AutoEncoder to learn a prior over the expert trajectory distribution conditioned on the perception input. At run-time, this is used as an initialization for a sampling-based optimizer for further refinement. Our approach does not require any sophisticated prediction of dynamic obstacles and yet provides state-of-the-art performance. In particular, we compare against the recent DRL-VO approach and show a 40% improvement in success rate and a 6% improvement in travel time.

Abstract

Reliable assessment of oral reading fluency (ORF) is of great importance in foundational literacy missions globally. For the design of level appropriate testing passages, text difficulty has traditionally been based on coarse-grained measures of readability like the Flesch–Kincaid score. We present a novel study where we deploy psycholinguistic measures of reading difficulty from Natural Language Processing to predict the duration of words in Hindi read-aloud speech. We test the hypotheses that expectation based measures of linguistic complexity are significant predictors of word duration in Hindi read-aloud speech. We validate the stated hypotheses by estimating surprisal measures inspired from Surprisal Theory of sentence comprehension and introduce a novel measure of orthographic complexity to model the intricacies of the Hindi script. Cognitive modelling experiments were conducted on a dataset of six Hindi short stories read aloud by 5 expert readers, containing 2 measures of word duration. Our results show that both surprisal as well as the orthographic complexity measures are significant predictors of word duration. In contrast with long words, we find duration reducing with increased orthographic complexity in the case of short words. The variation between individual speakers in terms of word duration is very low and the variance in the data is caused by the properties of the words used in the text. Finally, we reflect on the implications of our work for cognitive models of language production and for ORF assessment.

Abstract

In decision making settings such as medical diagnosis, investment choices, or sentencing in a court of law, an individual’s background and experience influence their decisions. In the legal domain, multiple factors like personal bias/beliefs, recent events, and the contemporary state of mind could affect decision-making, leading to inconsistencies in judgments between and within jurisdictions. It is widely reported in the literature that anomalies and disparities exist in judicial decisions, such as bail grants and sentence impositions, stemming from implicit bias or other contextual factors. Notably, in domains like sales and marketing, data cube-based systems are being used to extract interesting trends and anomalies in subspaces from large multidimensional databases. In this paper, we extend the data cube framework to explore possible anomalies and disparities in court sentences by conducting experiments on a sample Indian judgment dataset of criminal cases. The results show that the data cube-based framework could identify anomalies in the legal domain. We hope this work will encourage researchers to investigate a compre- hensive data cube-based framework to reduce disparities and improve justice delivery worldwide.

Abstract

Large Language Models (LLMs) often inherit biases from the web data they are trained on, which contains stereotypes and prejudices. Current methods for evaluating and mitigating these biases rely on bias-benchmark datasets. These benchmarks measure bias by observing an LLM’s behavior on biased statements. However, these statements lack contextual considerations of the situations they try to present. To address this, we introduce a contextual reliability framework, which evaluates model robustness to biased statements by considering the various contexts in which they may appear. We develop the Context-Oriented Bias Indicator and Assessment Score (COBIAS) to measure a biased statement’s reliability in detecting bias, based on the variance in model behavior across different contexts. To evaluate the metric, we augmented 2,291 stereotyped statements from two existing benchmark datasets by adding contextual information. We show that COBIAS aligns with human judgment on the contextual reliability of biased statements (Spearman’s 𝜌 = 0.65, 𝑝 = 3.4 ∗ 10−60) and can be used to create reliable benchmarks, which would assist bias mitigation works.

Abstract

Chemical reaction prediction, encompassing forward synthesis and retrosynthesis, stands as a fundamental challenge in organic synthesis. A widely adopted computational approach frames synthesis prediction as a sequence-to-sequence translation task, using the commonly used SMILES representation for molecules. The current evaluation of machine learning methods for retrosynthesis assumes perfect training data, overlooking imperfections in reaction equations in popular datasets, such as missing reactants, products, other physical and practical constraints such as temperature and cost, primarily due to a focus on the target molecule. This limitation leads to an incomplete representation of viable synthetic routes, especially when multiple sets of reactants can yield a given desired product. In response to these shortcomings, this study examines the prevailing evaluation methods and introduces comprehensive metrics designed to address imperfections in the dataset. Our novel metrics not only assess absolute accuracy by comparing predicted outputs with ground truth but also introduce a nuanced evaluation approach. We provide scores for partial correctness and compute adjusted accuracy through graph matching, acknowledging the inherent complexities of retrosynthetic pathways. Additionally, we explore the impact of small molecular augmentations while preserving chemical properties and employ similarity matching to enhance the assessment of prediction quality. We introduce SynFormer, a sequence-to-sequence model tailored for SMILES representation. It incorporates architectural enhancements to the original transformer, effectively tackling the challenges of chemical reaction prediction. SynFormer achieves a Top-1 accuracy of 53.2% on the USPTO-50k dataset, matching the performance of widely accepted models like Chemformer, but with greater efficiency by eliminating the need for pre-training.