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Chandan K. Reddy

Publications and source records attributed to Chandan K. Reddy.

At least 19 recordsLinked to original sources

DRIFTLENS: Measuring Memory-Induced Reasoning Drift in Personalized Language Models

Personalization changes what a model says to a user; we show that it can also change the reasoning trajectory used to justify the response. Modern LLMs personalize interactions by storing user attributes, preferences, and prior context, then injecting this information into future prompts. We study whether such memory reshapes reasoning on open-ended questions where no single ground-truth answer exists. To quantify this effect, we introduce DRIFTLENS, a ground-truth-free framework that maps each expressed reasoning step to a value category and measures divergence between a question's no-memory trajectory and its trajectory under injected user-attribute memory. We first validate that DRIFTLENS distinguishes content-free pragmatic noise from substantive reasoning changes. Across four LLMs and 10 user-attribute categories, including age, occupation, and disability, user-attribute memory induces medium-to-large reasoning drift above each model's pragmatic-noise floor, even when final answers remain fluent, on-topic, and plausible. We then evaluate GRPO- and DPO-based post-training methods for reducing drift. Both reduce drift, but neither uniformly dominates; effects on downstream capability, helpfulness, and instruction following are model-and reward-dependent. These results suggest that memory-induced reasoning drift is a measurable and only partly mitigated failure mode of personalized language models.

cs.AI

LLM-ACES: Closed-Loop Discovery of Dynamical Systems with LLM-Guided Adaptive Search

Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains. Existing approaches cast discovery as a static inference problem over fixed datasets, assuming that the observed trajectories are sufficiently informative. However, dynamical systems evolve over large state spaces, and limited data can make multiple equations observationally indistinguishable, leading to identifiability gaps and the recovery of incorrect governing equations. To address this, we introduce LLM-ACES, or LLM-guided Active Closed-loop Equation Search, a closed-loop framework that jointly optimizes symbolic hypothesis construction and adaptive data acquisition. In LLM-ACES, a large language model (LLM) proposes operator priors that partition the large search space into distinct regions, within which candidate equations are fit to the observed data. The disagreement among these candidates guides the acquisition of informative trajectories, creating a feedback loop that iteratively refines both the hypothesis space and the discovered dynamics. On 122 ODE systems spanning ODEBench and ODEBase, LLM-ACES achieves the lowest median NMSE, outperforming state-of-the-art baselines by several orders of magnitude while achieving a high symbolic accuracy of 46.2% and 52.4%, respectively. Our analysis further shows that LLM-ACES is sample-efficient, achieving better performance with one-tenth the data. Furthermore, LLM-ACES's feedback-driven data acquisition makes it robust to noise and recovers the correct symbolic structure, while baselines introduce spurious terms that fit the data locally but obscure the true governing relationships.

cs.LG

The Personalization Trap: How User Memory Alters Emotional Reasoning in LLMs

When an AI assistant remembers that Sarah is a single mother working two jobs, does it interpret her stress differently than if she were a wealthy executive? As personalized AI systems increasingly incorporate long-term user memory, understanding how this memory shapes emotional reasoning is critical. We investigate how user memory affects emotional intelligence in large language models (LLMs) by evaluating 15 models on human-validated emotional intelligence tests. We find that identical scenarios paired with different user profiles produce systematically divergent emotional interpretations. Across validated user-independent emotional scenarios and diverse user profiles, systematic biases emerged in several high-performing LLMs where advantaged profiles received more accurate emotional interpretations. Moreover, LLMs demonstrate significant disparities across demographic factors in emotion reasoning and supportive recommendations tasks, indicating that personalization mechanisms can embed social hierarchies into models' emotional reasoning. These results highlight a key challenge for memory-enhanced AI: systems designed for personalization may reinforce social inequalities. To mitigate these disparities, we curate a general-purpose preference dataset designed to reduce demographic profiles' influence on emotional understanding.

cs.AI

Towards Diverse Scientific Hypothesis Search with Large Language Models

Large language models (LLMs) are on the rise for accelerating scientific discovery, most recently in advanced tasks such as generating valid scientific hypotheses. Yet in many discovery settings, the goal is not to identify a single best hypothesis since validation can be noisy and expensive, and scientists benefit from a set of high-quality alternative hypotheses that hedge against downstream uncertainty for the best solutions. Nevertheless, commonly used evolutionary search recipes tend to prioritize optimization over exploration in hypothesis generation, and the resulting selection pressure during the search process leads to diversity collapse. Motivated by these limitations, we formulate hypothesis search as a sampling problem, where the objective is to efficiently produce diverse, high-quality hypotheses under a fixed validation budget. Building on this perspective, we propose \ours, an evolutionary framework inspired by the classical parallel tempering algorithm that searches hypotheses at multiple temperature levels and enables principled information exchange across temperatures to improve exploration without disrupting convergence. Across domains including molecular discovery, equation discovery, and algorithm discovery, our approach consistently improves both hypothesis quality and diversity under the same validation budget, and produces candidates that remain robust under more expensive downstream computational validations.

cs.LG

LLM-FE: Automated Feature Engineering for Tabular Data with LLMs as Evolutionary Optimizers

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks. The code is available at: https://github.com/nikhilsab/LLMFE

cs.LG

Evaluating Large Language Models in Scientific Discovery

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.

cs.AI

Toward Individual Fairness Without Centralized Data: Selective Counterfactual Consistency for Vertical Federated Learning

When algorithmic decisions depend on data distributed across institutions, how can we ensure that an individual's outcome does not change arbitrarily based on a protected attribute? We study this question in vertical federated learning (VFL), where features are split across parties, sensitive attributes may be private, and proxies for protected characteristics can be scattered across institutional boundaries under strict privacy constraints. Our focus is on individual-level counterfactual stability, i.e., per-instance prediction consistency under protected-attribute interventions as formalized in the causal fairness literature, rather than group parity guarantees such as demographic parity or equalized odds. We propose SCC-VFL, a server-centric framework for enforcing selective counterfactual consistency (SCC) at the individual level in VFL. SCC-VFL operationalizes a given policy specification by combining three components: (i) differentially private, graph-free discovery of feature roles into non-descendants, policy-permitted mediators, and impermissible proxies using only a formally private sketch of the sensitive attribute, with a formal per-release privacy that does not extend to the full training pipeline; (ii) masked counterfactual generation that edits only mediators while fixing non-descendants and suppressing proxy leakage; and (iii) server-side enforcement via an SCC consistency loss that penalizes impermissible prediction changes under protected-attribute interventions. Across three real-world datasets spanning credit, healthcare, and criminal justice, SCC-VFL maintains or improves predictive accuracy while sharply reducing decision flip rates by up to 98% relative to strong baselines. It also lowers attribute-inference attack success and improves robustness, demonstrating favorable utility-fairness-privacy trade-offs in realistic VFL deployments.

cs.CY

Stop Comparing LLM Agents Without Disclosing the Harness

This position paper argues that, for long-horizon tasks evaluated across models with comparable frontier capability, the agent execution harness, namely the infrastructure layer that governs context construction, tool interaction, orchestration, and verification around a language model, is often a stronger determinant of agent performance than the model it wraps. We formalize and defend the Binding Constraint Thesis: in this regime, performance variance is governed more by harness configuration than by model choice, and current evaluation protocols therefore systematically misattribute harness-level gains to model improvements. We support this thesis along three lines. First, a control-theoretic formalization treats the harness as the controller of a closed-loop dynamical system and the LLM as the stochastic policy it governs, which explains why small harness changes can produce performance shifts that exceed those obtained by substituting one model for another. Second, published benchmarks, industry deployments, and a controlled variance decomposition show that harness-induced variance can substantially exceed model-induced variance, including cases of model ranking reversal. Third, we propose a harness-aware evaluation framework with a disclosure standard and a variance decomposition protocol. Until harness specifications are disclosed, leaderboard comparisons for long-horizon agents should be treated as incomplete and potentially misleading.

cs.AI

MTSQL-R1: Towards Long-Horizon Multi-Turn Text-to-SQL via Agentic Training

Multi-turn Text-to-SQL aims to translate a user's conversational utterances into executable SQL while preserving dialogue coherence and grounding to the target schema. However, most existing systems only regard this task as a simple text translation task and follow a short-horizon paradigm, generating a query per turn without execution, explicit verification, and refinement, which leads to non-executable or incoherent outputs. We present MTSQL-R1, an agentic training framework for long-horizon multi-turn Text-to-SQL. We cast the task as a Markov Decision Process (MDP) in which an agent interacts with (i) a database for execution feedback and (ii) a persistent dialogue memory for coherence verification, performing an iterative propose to execute -> verify -> refine cycle until all checks pass. Experiments on COSQL and SPARC demonstrate that MTSQL-R1 consistently outperforms strong baselines, highlighting the importance of environment-driven verification and memory-guided refinement for conversational semantic parsing. Full recipes (including code, trained models, logs, reasoning trajectories, etc.) will be released after the internal review to contribute to community research.

cs.CL

DriveMind: A Dual Visual Language Model-based Reinforcement Learning Framework for Autonomous Driving

End-to-end autonomous driving systems map sensor data directly to control commands, but remain opaque, lack interpretability, and offer no formal safety guarantees. While recent vision-language-guided reinforcement learning (RL) methods introduce semantic feedback, they often rely on static prompts and fixed objectives, limiting adaptability to dynamic driving scenes. We present DriveMind, a unified semantic reward framework that integrates: (i) a contrastive Vision-Language Model (VLM) encoder for stepwise semantic anchoring; (ii) a novelty-triggered VLM encoder-decoder, fine-tuned via chain-of-thought (CoT) distillation, for dynamic prompt generation upon semantic drift; (iii) a hierarchical safety module enforcing kinematic constraints (e.g., speed, lane centering, stability); and (iv) a compact predictive world model to reward alignment with anticipated ideal states. DriveMind achieves 19.4 +/- 2.3 km/h average speed, 0.98 +/- 0.03 route completion, and near-zero collisions in CARLA Town 2, outperforming baselines by over 4% in success rate. Its semantic reward generalizes zero-shot to real dash-cam data with minimal distributional shift, demonstrating robust cross-domain alignment and potential for real-world deployment.

cs.RO

LLEMA: Evolutionary Search with LLMs for Multi-Objective Materials Discovery

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the scientific knowledge embedded in large language models with chemistry-informed evolutionary rules and memory-based refinement. At each iteration, an LLM proposes crystallographically specified candidates under explicit property constraints; a surrogate-augmented oracle estimates physicochemical properties; and a multi-objective scorer updates success/failure memories to guide subsequent generations. Evaluated on 14 realistic tasks that span electronics, energy, coatings, optics, and aerospace, LLEMA discovers candidates that are chemically plausible, thermodynamically stable, and property-aligned, achieving higher hit rates and improved Pareto front quality relative to generative and LLM-only baselines. Ablation studies confirm the importance of rule-guided generation, memory-based refinement, and surrogate prediction. By enforcing synthesizability and multi-objective trade-offs, LLEMA provides a principled approach to accelerating practical materials discovery. Project website: https://scientific-discovery.github.io/llema-project/

cs.LG

SURFACEBENCH: A Geometry-Aware Benchmark for Symbolic Surface Discovery

Equation discovery from data is a central challenge in machine learning for science, which requires the recovery of concise symbolic expressions that govern complex physical and geometric phenomena. Recent large language model (LLM) approaches have shown promise in symbolic regression, yet existing benchmarks predominantly evaluate low-dimensional scalar functions and rely on string-level or regression-based metrics that fail to capture structural and geometric equivalence. We introduce SURFACEBENCH, the first geometry-aware benchmark for symbolic discovery of three-dimensional surfaces. Unlike scalar curve-fitting tasks, SURFACEBENCH targets surface-level reasoning, where multi-variable coupling, coordinate transformations, and geometric structure must be inferred directly from data. The benchmark comprises 183 analytically constructed, science-inspired surface equations across 15 categories and three representation paradigms: explicit, implicit, and parametric forms. Each task includes variable semantics and synthetically sampled 3D data, and is designed to stress symbolic composition, structural ambiguity, and representational non-uniqueness while mitigating memorization. To evaluate discovery quality, SURFACEBENCH incorporates symbolic equivalence checks with geometric metrics of the object-space (Chamfer and Hausdorff distances) and regression-based error measures, allowing evaluation of functional fidelity beyond algebraic syntax. Empirical evaluation across evolutionary, neural, and LLM-driven frameworks reveals that no current method achieves consistent performance across representation types, with LLM-based approaches exhibiting strong structural priors but limited robustness in parameter calibration and multi-equation reasoning.The code and data are available at this link: github.com/deep-symbolic-mathematics/surfacebench.

cs.LG

Visual Exclusivity Attacks: Automatic Multimodal Red Teaming via Agentic Planning

Current multimodal red teaming treats images as wrappers for malicious payloads via typography or adversarial noise. These attacks are structurally brittle, as standard defenses neutralize them once the payload is exposed. We introduce Visual Exclusivity (VE), a more resilient Image-as-Basis threat where harm emerges only through reasoning over visual content such as technical schematics. To systematically exploit VE, we propose Multimodal Multi-turn Agentic Planning (MM-Plan), a framework that reframes jailbreaking from turn-by-turn reaction to global plan synthesis. MM-Plan trains an attacker planner to synthesize comprehensive, multi-turn strategies, optimized via Group Relative Policy Optimization (GRPO), enabling self-discovery of effective strategies without human supervision. To rigorously benchmark this reasoning-dependent threat, we introduce VE-Safety, a human-curated dataset filling a critical gap in evaluating high-risk technical visual understanding. MM-Plan achieves 46.3% attack success rate against Claude 4.5 Sonnet and 13.8% against GPT-5, outperforming baselines by 2--5x where existing methods largely fail. These findings reveal that frontier models remain vulnerable to agentic multimodal attacks, exposing a critical gap in current safety alignment. Warning: This paper contains potentially harmful content.

cs.CR

RUST-BENCH: Benchmarking LLM Reasoning on Unstructured Text within Structured Tables

Existing tabular reasoning benchmarks mostly test models on small, uniform tables, underrepresenting the complexity of real-world data and giving an incomplete view of Large Language Models' (LLMs) reasoning abilities. Real tables are long, heterogeneous, and domain-specific, mixing structured fields with free text and requiring multi-hop reasoning across thousands of tokens. To address this gap, we introduce RUST-BENCH, a benchmark of 7966 questions from 2031 real-world tables spanning two domains: i) RB-Science (NSF grant records) and ii) RB-Sports (NBA statistics). Unlike prior work, RUST-BENCH evaluates LLMs jointly across scale, heterogeneity, domain specificity, and reasoning complexity. Experiments with open-source and proprietary models show that LLMs struggle with heterogeneous schemas and complex multi-hop inference, revealing persistent weaknesses in current architectures and prompting strategies. RUST-BENCH establishes a challenging new testbed for advancing tabular reasoning research.

cs.CL

Discovering Heuristics with Large Language Models (LLMs) for Mixed-Integer Programs: Single-Machine Scheduling

Our study contributes to the scheduling and combinatorial optimization literature with new heuristics discovered by leveraging the power of Large Language Models (LLMs). We focus on the single-machine total tardiness (SMTT) problem, which aims to minimize total tardiness by sequencing n jobs on a single processor without preemption, given processing times and due dates. We develop and benchmark two novel LLM-discovered heuristics, the EDD Challenger (EDDC) and MDD Challenger (MDDC), inspired by the well-known Earliest Due Date (EDD) and Modified Due Date (MDD) rules. In contrast to prior studies that employed simpler rule-based heuristics, we evaluate our LLM-discovered algorithms using rigorous criteria, including optimality gaps and solution time derived from a mixed-integer programming (MIP) formulation of SMTT. We compare their performance against state-of-the-art heuristics and exact methods across various job sizes (20, 100, 200, and 500 jobs). For instances with more than 100 jobs, exact methods such as MIP and dynamic programming become computationally intractable. Up to 500 jobs, EDDC improves upon the classic EDD rule and another widely used algorithm in the literature. MDDC consistently outperforms traditional heuristics and remains competitive with exact approaches, particularly on larger and more complex instances. This study shows that human-LLM collaboration can produce scalable, high-performing heuristics for NP-hard constrained combinatorial optimization, even under limited resources when effectively configured.

cs.AI

SATA-BENCH: Select All That Apply Benchmark for Multiple Choice Questions

Large language models (LLMs) are increasingly evaluated on single-answer multiple-choice tasks, yet many real-world problems require identifying all correct answers from a set of options. This capability remains underexplored. We introduce SATA-BENCH, the first dedicated benchmark for evaluating LLMs on Select All That Apply (SATA) questions across diverse domains, including reading comprehension, law, and biomedicine. Our evaluation of 27 open-source and proprietary models reveals a significant gap: even the strongest model achieves only 41.8% exact match, exposing LLMs' inability to reliably identify all correct answers. We find that this weakness stems from two core challenges: selection bias - models favor certain choices regardless of content, and count bias - models fail to predict the correct number of answers. To address these issues, we propose Choice Funnel, a decoding strategy that combines token debiasing with adaptive thresholding to guide models toward complete and accurate selections. Choice Funnel achieves up to 29% higher exact match than competitive baselines while reducing inference cost by over 64%. Our findings expose fundamental limitations in current LLMs and introduce a new framework for diagnosing and improving multi-answer reasoning. We release SATA-BENCH and Choice Funnel to promote LLM development for robust decision-making in realistic, multi-answer applications.

cs.CL

Distractor Injection Attacks on Large Reasoning Models: Characterization and Defense

Recent advances in large reasoning models (LRMs) have enabled remarkable performance on complex tasks such as mathematics and coding by generating long Chain-of-Thought (CoT) traces. In this paper, we identify and systematically analyze a critical vulnerability we term reasoning distraction, where LRMs are diverted from their primary objective by irrelevant yet complex tasks maliciously embedded in the prompt. Through a comprehensive study across diverse models and benchmarks, we show that even state-of-the-art LRMs are highly susceptible, with injected distractors reducing task accuracy by up to 60%. We further reveal that certain alignment techniques can amplify this weakness and that models may exhibit covert compliance, following hidden adversarial instructions in reasoning while concealing them in the final output. To mitigate these risks, we propose a training-based defense that combines Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) on synthetic adversarial data, improving robustness by over 50 points on challenging distractor attacks. Our findings establish reasoning distraction as a distinct and urgent threat to LRM reliability and provide a practical step toward safer and more trustworthy reasoning systems.

cs.AI

Quantifying Fairness in LLMs Beyond Tokens: A Semantic and Statistical Perspective

Large Language Models (LLMs) often generate responses with inherent biases, undermining their reliability in real-world applications. Existing evaluation methods often overlook biases in long-form responses and the intrinsic variability of LLM outputs. To address these challenges, we propose FiSCo (Fine-grained Semantic Comparison), a novel statistical framework to evaluate group-level fairness in LLMs by detecting subtle semantic differences in long-form responses across demographic groups. Unlike prior work focusing on sentiment or token-level comparisons, FiSCo goes beyond surface-level analysis by operating at the claim level, leveraging entailment checks to assess the consistency of meaning across responses. We decompose model outputs into semantically distinct claims and apply statistical hypothesis testing to compare inter- and intra-group similarities, enabling robust detection of subtle biases. We formalize a new group counterfactual fairness definition and validate FiSCo on both synthetic and human-annotated datasets spanning gender, race, and age. Experiments show that FiSCo more reliably identifies nuanced biases while reducing the impact of stochastic LLM variability, outperforming various evaluation metrics.

cs.CL