arXiv subjects

Tianyi Ma

Publications and source records attributed to Tianyi Ma.

At least 37 records · Page 2Linked to original sources

arXiv2026

Best-Arm Identification with Generative Proxy

Best-arm identification is a canonical model for data-driven decision-making, but in many applications each reward observation is costly. Motivated by the growing availability of cheap predictions from machine learning and large language models, we study fixed-confidence best-arm identification in which each costly reward pull is paired with a cheap but correlated proxy score. The marginal mean of the proxy can be estimated offline and is treated as known, whereas its correlation $ρ$ with the reward, which governs how much the proxy helps, is unknown and must be learned online in pair with real rewards. We show that a control-variate adjustment turns this model into a heteroscedastic identification problem whose oracle sample complexity improves by residual variance $1-ρ^2$. The central difficulty is that the correlation must be learned from the same costly samples that identification consumes online, and that a plug-in estimate of the residual variance is anti-conservative and can compromise correctness. We propose PROBE (PRoxy OLS for Best-arm Exploration), a phase-elimination algorithm that directly maintains an upper certificate on the residual variance with an ordinary least squares fit, whose exact chi-square law keeps the certificate valid regardless of the unknown correlation. We prove that PROBE is $δ$-PAC and attains the known-correlation oracle sample complexity up to a constant multiplicative factor and a constant additive calibration cost. The guarantee extends to the $(ε,δ)$-PAC setting under minimal changes to the algorithm. Numerical experiments on synthetic instances and on an auto-loan pricing replay with large language model and tabular proxies confirm that the sample savings of PROBE scale with the strength of the reward-proxy correlation, exactly as the theory predicts.

cs.LG↗

arXiv2026

Object-Centric Environment Modeling for Agentic Tasks

Large language model (LLM) agents can improve through accumulated experience, but free-form textual memories become difficult to maintain, validate, and reuse as interactions grow. Recent symbolic approaches learn executable skills or programmatic world models, yet often store local procedures or assume simplified dynamics. We propose Object-Centric Environment Modeling (OCM), which organizes experience into an executable object-centric environment model. OCM maintains two connected code bases: object knowledge, which defines environment entities and mechanisms as Python classes, and procedure knowledge, which records reusable interaction patterns that must import and use the object model. OCM works in an online setting: after each episode, OCM reflects on the trajectory, updates both knowledge bases, and verifies that all procedures execute against the updated object model. During future interaction, the agent uses progressive knowledge disclosure to inspect compact code signatures first and read source code only when needed. Experiments show that OCM achieves the best average rank across benchmarks and reduces invalid actions, demonstrating that agents can benefit from building object-centric environment models.

cs.AI↗

arXiv2026

HoosierHelp: Benchmarking LLM Agents for Social Service Navigation

Social service navigation requires connecting help-seeking individuals to resources that satisfy their needs and specific constraints. Although LLM agents offer a promising interface for conversational resource navigation, existing benchmarks do not capture the interaction complexity and constraint-grounding demands of this setting. We introduce HoosierHelp, an interactive benchmark grounded in 3,971 Indiana public social service resources. Agents interact with simulated users, issue structured resource-search calls, handle non-ideal interactions, and select the final resources returned by the tool. HoosierHelp enhances the realism of simulated users by varying their need structure, constraint satisfiability, and behavior patterns, including impatience, rambling, unsupported requests, and self-contradiction. Experiments on 240 samples across seven LLMs show that current LLM agents remain substantially unreliable for social service navigation. Performance drops sharply on fallback-required and self-contradictory conversations, highlighting the need for agents that are more robust to complex and non-ideal user interactions.

cs.HC↗

arXiv2026

Deep learning with missing data

In the context of multivariate nonparametric regression with missing covariates, we propose Pattern Embedded Neural Networks (PENNs), which can be applied in conjunction with any existing imputation technique. In addition to a neural network trained on the imputed data, PENNs pass the vectors of observation indicators through a second neural network to provide a compact representation. The outputs are then combined in a third neural network to produce final predictions. Our main theoretical result exploits an assumption that the observation patterns can be partitioned into cells on which the Bayes regression function behaves similarly, and belongs to a compositional Hölder class. It provides a finite-sample excess risk bound that holds for an arbitrary missingness mechanism, and in combination with a complementary minimax lower bound, demonstrates that our PENN estimator attains in typical cases the minimax rate of convergence as if the cells of the partition were known in advance, up to a poly-logarithmic factor in the sample size. Numerical experiments on simulated, semi-synthetic and real data confirm that the PENN estimator consistently improves, often dramatically, on standard neural networks without pattern embedding. Code to reproduce our experiments, as well as a tutorial on how to apply our method, is publicly available.

stat.ME↗

arXiv2026

SupraBench: A Benchmark for Supramolecular Chemistry

Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Benchmark, called SupraBench, to evaluate LLMs in chemistry reasoning. Specifically, we design four fundamental tasks, i.e., binding affinity prediction, top-binder selection, solvent identification, and host-guest description, plus an auxiliary vision-based task for molecular identification. We also release SupraPMC, a curated 16M-token corpus of Supramolecular chemistry articles distilled from Europe PMC, to support the adaptation to the supramolecular domain. We benchmark a broad range of open and proprietary LLMs and find that LLMs leave substantial headroom across all tasks. Domain adaptation pretraining over SupraPMC transfers cleanly to in-distribution regression but trades off against strict letter-format output. Moreover, the difficulty profile differs sharply across task families, revealing distinct failure modes that indicate specific gaps in current supramolecular chemistry reasoning. Our source codes and benchmark datasets are available at https://github.com/Tianyi-Billy-Ma/SupraBench.

cs.LG↗

arXiv2026

Food4All: An Agentic Framework and Benchmark for Food Resource Navigation with Adaptive User Understanding

Food assistance referral requires conversational agents to translate underspecified, often noisy help-seeking dialogues into locally valid resource recommendations. We present Food4All, an agentic food-resource referral framework and benchmark grounded in 686 structured Indiana food resources. Food4All couples a food-specific search tool with 300 multi-turn evaluation tasks spanning single food needs, composite cases with access or document constraints, and five non-ideal user interaction traits: unreasonable demands, rambling responses, impatience, incomplete answers, and inconsistent information. We evaluate six Large Language Models (LLMs) on requirement grounding, resource retrieval, final referral correctness, and interaction efficiency. Although the strongest model achieves 96.33% referral accuracy, our diagnostics reveal persistent failures in grounding schedule, eligibility, intake, and document constraints, as well as failures to preserve valid retrieved resources in the final recommendation. Trait-level analysis further shows that different non-ideal behaviors stress different parts of the referral pipeline. Food4All provides a controlled testbed for studying tool-calling agents in constraint-sensitive food assistance referral under realistic user interaction challenges.

cs.CL↗

arXiv2026

Causal Scaffolding for Physical Reasoning: A Benchmark for Causally-Informed Physical World Understanding in VLMs

Understanding and reasoning about the physical world is the foundation of intelligent behavior, yet state-of-the-art vision-language models (VLMs) still fail at causal physical reasoning, often producing plausible but incorrect answers. To address this gap, we introduce CausalPhys, a benchmark of over 3,000 carefully curated video- and image-based questions spanning four domains: Perception, Anticipation, Intervention, and Goal Orientation. Each question is paired with an expert-annotated causal graph capturing object-attribute-event dependencies, enabling interpretable and fine-grained evaluation of causal understanding. Building on this, we formulate a causal-graph-grounded metric that quantitatively measures how well a model's chain-of-thought reasoning aligns with the correct causal relations, moving beyond answer-only accuracy and enabling systematic diagnosis of VLMs' causal reasoning failures. Using this metric, we conduct a comprehensive analysis of leading VLMs, revealing systematic gaps in capturing causal dependencies and underscoring the need for causality-aware learning. To address these limitations, we further propose Causal Rationale-informed Fine-Tuning (CRFT), which explicitly aligns VLM reasoning with causal structures. Extensive experiments demonstrate that CRFT substantially enhances both reasoning accuracy and interpretability across multiple model backbones. By unifying dataset curation, causal evaluation, and causality-informed learning, CausalPhys establishes a strong foundation for advancing modern VLMs toward causally grounded physical reasoning.

cs.DB↗

arXiv2026

SaaS-Bench: Can Computer-Use Agents Leverage Real-World SaaS to Solve Professional Workflows?

Computer-Using Agents (CUAs) are rapidly extending large language models (LLMs) beyond text-based reasoning toward action execution in more complex environments, such as web browsers and graphical user interfaces (GUIs). However, existing web and GUI agent benchmarks often rely on simplified settings, isolated tasks, or short-horizon interactions, making it difficult to assess capabilities of agents in realistic professional workflows. Software-as-a-Service (SaaS) environments are a natural choice for CUA evaluation, as they host a large share of modern digital work and naturally involve dynamic system states, cross-application coordination, domain-specific knowledge, and long-horizon dependencies. To this end, we introduce SaaS-Bench, a benchmark built on 23 deployable SaaS systems across six professional domains, containing 106 tasks grounded in realistic work scenarios. These tasks require long-horizon execution, cover both text-only and multimodal settings, and are evaluated with weighted verification checkpoints that measure strict task completion and partial progress. Experiments show that representative LLM-based agents struggle on SaaS-Bench, with even the strongest model completing fewer than 4% of tasks end-to-end, exposing limitations in planning, state tracking, cross-application context maintenance, and error recovery. Code are available at https://github.com/UniPat-AI/SaaS-Bench for reproduction.

cs.AI↗

arXiv2026

Why Semantic Entropy Fails: Geometry-Aware and Calibrated Uncertainty for Policy Optimization

Post-training has become central to improving reasoning and alignment in large language models, where critic-free models enable scalable learning from model-generated outputs but lack principled mechanisms to distinguish informative from noisy signals. Recent approaches leverage response-level measures as uncertainty signals to regulate group-based optimization methods such as GRPO. Yet their empirical success remains unstable and unclear in how they influence optimization dynamics. In this paper, we provide, to our knowledge, the first principled formulation that interprets uncertainty signals as mechanisms for characterizing and regulating gradient variance and learning signal quality. Based on both empirical and theoretical analysis, we identify two critical gaps of current entropy-based estimators: The anisotropic gap and The calibration gap. Motivated by this analysis, we propose Geometric-aware Calibrated Policy Optimization (GCPO), a novel framework integrating geometry-aware measures to capture semantic disagreement with reward-based calibration to align uncertainty with learning signal strength. Experiments on multiple benchmarks show that our approach more faithfully tracks gradient variability and consistently improves post-training performance. Our results highlight the importance of designing uncertainty signals that are aligned with optimization dynamics, offering a principled perspective for robust post-training.

cs.LG↗

arXiv2026

Efficient and Minimax Optimal In-context Nonparametric Regression with Transformers

We study in-context learning for nonparametric regression with $α$-Hölder smooth regression functions, for some $α>0$. We prove that, with $n$ in-context examples and $d$-dimensional regression covariates, a pretrained transformer with $Θ(\log n)$ parameters and $Ω\bigl(n^{2α/(2α+d)}\log^3 n\bigr)$ pretraining sequences can achieve the minimax optimal rate of convergence $O\bigl(n^{-2α/(2α+d)}\bigr)$ in mean squared error. Our result requires substantially fewer transformer parameters and pretraining sequences than previous results in the literature. This is achieved by showing that transformers are able to approximate local polynomial estimators efficiently by implementing a kernel-weighted polynomial basis and then running gradient descent.

stat.ML↗

arXiv2026

Hypergraph Pattern Machine: Compositional Tokenization for Higher-Order Interactions

Hypergraphs model higher-order relations that drive real-world decisions, from drug prescriptions to recommendations. A central structural signal in such data, beyond what pairwise relations can express, is interaction compositionality: whether a higher-order relation is compositional, emergent, or inhibitory with respect to its observed or unobserved sets. In polypharmacy, the regime decides whether a drug should be dropped, kept, or excluded: a compositional drug triple can be safely simplified, an emergent triple requires all drugs jointly, and an inhibitory triple flags a drug that disrupts an existing interaction. However, existing hypergraph learning methods, which merely propagate messages over observed hyperedges, leave this compositional signal unmodeled, allowing dangerous drug combinations to slip through and be misclassified. To this end, we propose the Hypergraph Pattern Machine (HGPM), shifting the paradigm from message passing to learning the compositional pattern of subsets. It tokenizes compositional subsets, organizes them in an inclusion DAG, and trains an inclusion-aware Transformer under masked reconstruction. On ten hypergraph benchmarks, HGPM matches or exceeds state-of-the-art methods. Notably, in a real adverse-event prediction case, HGPM correctly identifies the drug addition that inhibits the side effect among feature-identical candidates, a discrimination existing methods cannot make. The code and data are in https://github.com/KryieZhao/HGPM.git.

cs.LG↗

arXiv2026

Breaking Down and Building Up: Mixture of Skill-Based Vision-and-Language Navigation Agents

Vision-and-Language Navigation (VLN) poses significant challenges for agents to interpret natural language instructions and navigate complex 3D environments. While recent progress has been driven by large-scale pre-training and data augmentation, current methods still struggle to generalize to unseen scenarios, particularly when complex spatial and temporal reasoning is required. In this work, we propose SkillNav, a modular framework that introduces structured, skill-based reasoning into Transformer-based VLN agents. Our method decomposes navigation into a set of interpretable atomic skills (e.g., Vertical Movement, Area and Region Identification, Stop and Pause), each handled by a specialized agent. To support targeted skill training without manual data annotation, we construct a synthetic dataset pipeline that generates diverse, linguistically natural, skill-specific instruction-trajectory pairs. We then introduce a novel training-free Vision-Language Model (VLM)-based router, which dynamically selects the most suitable agent at each time step by aligning sub-goals with visual observations and historical actions. SkillNav obtains competitive results on commonly used benchmarks and establishes state-of-the-art generalization to the GSA-R2R, a benchmark with novel instruction styles and unseen environments.

cs.AI↗

arXiv2026

PreScam: A Benchmark for Predicting Scam Progression from Early Conversations

Conversational scams, such as romance and investment scams, are emerging as a major form of online fraud. Unlike one-shot scam lures such as fake lottery or unpaid toll messages, they unfold through multi-turn conversations in which scammers gradually manipulate victims using evolving psychological techniques. However, existing research mainly focuses on static scam detection or synthetic scams, leaving open whether language models can understand how real-world scams progress over time. We introduce PreScam, a benchmark for modeling scam progression from early conversations. Built from user-submitted scam reports, PreScam filters and structures 177,989 raw reports into 11,573 conversational scam instances spanning 20 scam categories. Each instance is hierarchically structured according to the scam lifecycle defined by the proposed scam kill chain, and further annotated at the turn level with scammer psychological actions and victim responses. We benchmark models on two tasks: real-time termination prediction, which estimates whether a conversation is approaching the termination stage, and scammer action prediction, which forecasts the scammer's subsequent actions. Results show a clear gap between surface-level fluency and progression modeling: supervised encoders substantially outperform zero-shot LLMs on real-time termination prediction, while next-action prediction remains only moderately successful even for strong LLMs. Taken together, these results show that current models can capture some scam-related cues, yet still struggle to track how risk escalates and how manipulation unfolds across turns.

cs.CL↗

arXiv2026

On the Safety of Graph Representation Learning

Graph representation learning (GRL) has evolved from topology-only graph embeddings to task-specific supervised GNNs, and more recently to reusable representations and graph foundation models (GFMs). However, existing evaluations mainly measure clean transfer, adaptation, and task coverage. It remains unclear whether GRL methods stay reliable when deployment stresses affect graph signals, graph contexts, label support, structural groups, or predictive evidence. We introduce GRL-Safety, a multi-axis safety evaluation benchmark for GRL. GRL-Safety evaluates twelve representative methods, spanning topology-only embedding methods, supervised GNNs, self-supervised graph models, and GFMs, on twenty-five graph datasets under standardized evaluation conditions while preserving method-native adaptation. The evaluation covers five safety axes: corruption robustness, OOD generalization, class imbalance, fairness, and interpretation, with per-axis and sub-condition reporting rather than a single aggregate score. Our analysis yields three cross-axis insights that can inspire future research. First, safety behavior is shaped by the interaction between representation design and the stressed graph factor, rather than by method family alone. Second, foundation-era methods show axis-specific strengths rather than broad safety dominance. Third, several deployment regimes remain difficult even for the best evaluated method, revealing capability gaps that require new robustness, adaptation, or training objectives beyond model selection. The benchmark, evaluation protocols, and code are available at: https://github.com/GXG-CS/GRL-Safety.

cs.LG↗

arXiv2026

Estimation beyond Missing (Completely) at Random

We study the effects of missingness on the estimation of population parameters. Moving beyond restrictive missing completely at random (MCAR) assumptions, we first formulate a missing data analogue of Huber's arbitrary $ε$-contamination model. For mean estimation with respect to squared Euclidean error loss, we show that the minimax quantiles decompose as a sum of the corresponding minimax quantiles under a heterogeneous, MCAR assumption, and a robust error term, depending on $ε$, that reflects the additional error incurred by departure from MCAR. We next introduce natural classes of realisable $ε$-contamination models, where an MCAR version of a base distribution $P$ is contaminated by an arbitrary missing not at random (MNAR) version of $P$. These classes are rich enough to capture various notions of biased sampling and sensitivity conditions, yet we show that they enjoy improved minimax performance relative to our earlier arbitrary contamination classes for both parametric and nonparametric classes of base distributions. For instance, with a univariate Gaussian base distribution, consistent mean estimation over realisable $ε$-contamination classes is possible even when $ε$ and the proportion of missingness converge (slowly) to 1. We extend our results to the setting of departures from missing at random (MAR) in normal linear regression with a realisable missing response, and also demonstrate that our methods can be made adaptive to the case of unknown $ε$.

math.ST↗

arXiv2026

EvoTaxo: Building and Evolving Taxonomy from Social Media Streams

Constructing taxonomies from social media corpora is challenging because posts are short, noisy, semantically entangled, and temporally dynamic. Existing taxonomy induction methods are largely designed for static corpora and often struggle to balance robustness, scalability, and sensitivity to evolving discourse. We propose EvoTaxo, a LLM-based framework for building and evolving taxonomies from temporally ordered social media streams. Rather than clustering raw posts directly, EvoTaxo converts each post into a structured draft action over the current taxonomy, accumulates structural evidence over time windows, and consolidates candidate edits through dual-view clustering that combines semantic similarity with temporal locality. A refinement-and-arbitration procedure then selects reliable edits before execution, while each node maintains a concept memory bank to preserve semantic boundaries over time. Experiments on two Reddit corpora show that EvoTaxo produces more balanced taxonomies than baselines, with clearer post-to-leaf assignment, better corpus coverage at comparable taxonomy size, and stronger structural quality. A case study on the Reddit community /r/ICE_Raids further shows that EvoTaxo captures meaningful temporal shifts in discourse. Our codebase is available here.

cs.CL↗

arXiv2026

OPBench: A Graph Benchmark to Combat the Opioid Crisis

The opioid epidemic continues to ravage communities worldwide, straining healthcare systems, disrupting families, and demanding urgent computational solutions. To combat this lethal opioid crisis, graph learning methods have emerged as a promising paradigm for modeling complex drug-related phenomena. However, a significant gap remains: there is no comprehensive benchmark for systematically evaluating these methods across real-world opioid crisis scenarios. To bridge this gap, we introduce OPBench, the first comprehensive opioid benchmark comprising five datasets across three critical application domains: opioid overdose detection from healthcare claims, illicit drug trafficking detection from digital platforms, and drug misuse prediction from dietary patterns. Specifically, OPBench incorporates diverse graph structures, including heterogeneous graphs and hypergraphs, to preserve the rich and complex relational information among drug-related data. To address data scarcity, we collaborate with domain experts and authoritative institutions to curate and annotate datasets while adhering to privacy and ethical guidelines. Furthermore, we establish a unified evaluation framework with standardized protocols, predefined data splits, and reproducible baselines to facilitate fair and systematic comparison among graph learning methods. Through extensive experiments, we analyze the strengths and limitations of existing graph learning methods, thereby providing actionable insights for future research in combating the opioid crisis. Our source code and datasets are available at https://github.com/Tianyi-Billy-Ma/OPBench.

cs.LG↗

arXiv2026

BHyGNN+: Unsupervised Representation Learning for Heterophilic Hypergraphs

Hypergraph Neural Networks (HyGNNs) have demonstrated remarkable success in modeling higher-order relationships among entities. However, their performance often degrades on heterophilic hypergraphs, where nodes connected by the same hyperedge tend to have dissimilar semantic representations or belong to different classes. While several HyGNNs, including our prior work BHyGNN, have been proposed to address heterophily, their reliance on labeled data significantly limits their applicability in real-world scenarios where annotations are scarce or costly. To overcome this limitation, we introduce BHyGNN+, a self-supervised learning framework that extends BHyGNN for representation learning on heterophilic hypergraphs without requiring ground-truth labels. The core idea of BHyGNN+ is hypergraph duality, a structural transformation where the roles of nodes and hyperedges are interchanged. By contrasting augmented views of a hypergraph against its dual using cosine similarity, our framework captures essential structural patterns in a fully unsupervised manner. Notably, this duality-based formulation eliminates the need for negative samples, a common requirement in existing hypergraph contrastive learning methods that is often difficult to satisfy in practice. Extensive experiments on eleven benchmark datasets demonstrate that BHyGNN+ consistently outperforms state-of-the-art supervised and self-supervised baselines on both heterophilic and homophilic hypergraphs. Our results validate the effectiveness of leveraging hypergraph duality for self-supervised learning and establish a new paradigm for representation learning on challenging, unlabeled hypergraphs.

cs.LG↗