arXiv subjects

Yejin Choi

Publications and source records attributed to Yejin Choi.

At least 19 recordsLinked to original sources

arXiv2026

ZEBRAARENA: A Diagnostic Simulation Environment for Studying Reasoning-Action Coupling in Tool-Augmented LLMs

Tool-augmented large language models (LLMs) must tightly couple multi-step reasoning with external actions, yet existing benchmarks often confound this interplay with complex environment dynamics, memorized knowledge or dataset contamination. In this paper, we introduce ZebraArena, a procedurally generated diagnostic environment for studying reasoning-action coupling in tool-augmented LLMs, with controllable difficulty and a knowledge-minimal design, which limits gains from memorization or dataset contamination. Each task in ZebraArena requires a set of critical information which is available only through targeted tool use, yielding an interpretable interface between external information acquisition and deductive reasoning. This design provides deterministic evaluation via unique solutions, and a theoretical optimal query count for measuring efficient tool use. We show that ZebraArena requires a combination of in-depth reasoning and accurate external tool calling, which remains a challenge as frontier reasoning models such as GPT-5 and Gemini 2.5 Pro only achieves 60% accuracy on the hard instances. We also observe a persistent gaps between theoretical optimality and practical tool usage. For example, GPT-5 uses 70-270% more tool calls than the theoretical optimum. We highlight the key findings in our evaluation, and hope ZebraArena stimulates further research on the interplay between internal reasoning and external action.

cs.AI↗

arXiv2026

Forty Shades of Blue: Quality-Diversity Alignment via Mode-Conditioned Reinforcement Learning

A notable byproduct of LLM alignment training is mode collapse: the progressive loss of output diversity that narrows a model's expressivity at inference time. This degradation is especially limiting for applications requiring open-ended exploration and pluralistic perspectives, such as scientific ideation and creative writing. We present MoDA (Mode-conditioned Diversity Alignment), an online post-training RL algorithm that jointly optimizes generation quality and diversity, inspired by the coordination perspective in multi-agent reinforcement learning (MARL). MoDA trains a single shared LLM policy conditioned on abstract numbered roles, where each role acts as an agent competing to produce outputs distinct from the others. This formulation encourages mode-conditioned agents to explore complementary regions of the high-quality output space without requiring hand-crafted personas or architectural modifications. MoDA employs a prompt-adaptive quality gating mechanism that calibrates a reference quality threshold and grants diversity rewards only to responses that meet the threshold, preventing reward-hacking behaviors that compromise response quality. To study quality-diversity tradeoffs, we evaluate MoDA on a comprehensive suite of benchmarks spanning seven general capability tasks and four domain-specific diversity tasks in scientific ideation and creative writing. MoDA improves SBERT diversity by 265% on the Infinite-Chat held-out prompts, while increasing average general capability pass@1 by 10.3% over the Qwen3-8B baseline. Compared with the strongest DivPO baseline, MoDA improves SBERT diversity from 0.274 to 0.482 (+75.9%) and E-Vendi from 2.86 to 4.4 (+53.8%), while improving average general capability pass@1 by 7.0%. Overall, MoDA provides a drop-in alternative to standard post-training methods that preserves and expands the model's expressive output space while improving quality.

cs.CL↗

arXiv2026

Zone of Proximal Policy Optimization: Teacher in Prompts, Not Gradients

Knowledge distillation transfers a teacher's competence to a small student but is brittle in the small-student regime: forcing the student to imitate logits from a much larger teacher concentrates it on the teacher's sharpest modes, hurting generalization on benchmark families beyond the training corpus. Reinforcement learning (RL) avoids logit imitation by training on the student's own rollouts. However, on questions where every rollout fails, yielding zero advantage and being silently discarded, injecting a stronger teacher's response into the policy gradient breaks the on-policy assumption and induces drift. We introduce Zone of Proximal Policy Optimization (ZPPO), inspired by Vygotsky's zone of proximal development, which keeps the teacher inside the prompt rather than the policy gradient. On hard questions, ZPPO constructs two reformulated prompts. A Binary Candidate-included Question (BCQ) pairs one correct teacher response with one incorrect student response as anonymized candidates the student must reason between. A Negative Candidate-included Question (NCQ) aggregates the student's wrong rollouts into a single prompt to surface their shared failure modes. A prompt replay buffer recirculates each hard question until it either graduates (the student's mean rollout accuracy on it reaches half or more) or is FIFO-evicted under finite capacity, amplifying BCQ and NCQ inside the student's current zone of proximal development. On the Qwen3.5 family at four student scales (0.8B-9B) with a 27B teacher, post-trained as vision-language models and evaluated on a 31-benchmark suite (16 VLM, 10 LLM, 5 Video), ZPPO outperforms off/on-policy distillation and GRPO, with the largest gains at the smallest scale.

cs.CL↗

arXiv2026

FDARxBench: Benchmarking Regulatory and Clinical Reasoning on FDA Generic Drug Assessment

We introduce an expert curated, real-world benchmark for evaluating document-grounded question-answering (QA) motivated by generic drug assessment, using the U.S. Food and Drug Administration (FDA) drug label documents. Drug labels contain rich but heterogeneous clinical and regulatory information, making accurate question answering difficult for current language models. In collaboration with FDA regulatory assessors, we introduce FDARxBench, and construct a multi-stage pipeline for generating high-quality, expert curated, QA examples spanning factual, multi-hop, and refusal tasks, and design evaluation protocols to assess both open-book and closed-book reasoning. Experiments across proprietary and open-weight models reveal substantial gaps in factual grounding, long-context retrieval, and safe refusal behavior. While motivated by FDA generic drug assessment needs, this benchmark also provides a substantial foundation for challenging regulatory-grade evaluation of label comprehension. The benchmark is designed to support evaluation of LLM behavior on drug-label questions.

cs.CL↗

arXiv2026

SPADE: Self-Play in Adaptive Synthetic Executable Environments

Continuous self-improvement requires an ever-expanding pool of self-generated, diverse, adaptive goals. For language agents, existing training environment pools (hand-curated, statically synthesized, or frozen-verifier) keep the goal distribution fixed as the learner scales. We introduce SPADE (Self-Play in Adaptive Synthetic Executable Environments), a self-play RL framework in which a single LLM plays two roles: an Environment Designer that writes complete, long-horizon training environments as executable code with an OpenAI Gym-style reset()/step() interface, and a Reasoning Agent that learns to act in them. Each is a stateful, multi-turn environment (state transitions, reward functions, and verification code), so one interface spans reasoning problems and multi-step agentic tool use. The Reasoning Agent's regret is estimated using the gap between its reward with and without privileged hints; in optimizing this regret signal the Environment Designer learns to target environments at the edge of the agent's capabilities while keeping them feasible. Through extensive experimentation, we find several components critical to success: grounding the Environment Designer on documents sampled from a large pretraining corpus, and giving it an accumulated environment memory. Scaling to 30B-parameter models, SPADE improves over the strongest fixed-environment baseline by +5.3 on average across eight held-out math, science, code, and reasoning benchmarks, and lifts the tool-use setting by +5.7 on BFCL-v4 multi-turn and +13.9 on ACEBench-Agent; on the games setting, the margin over the strongest baseline grows with model scale. By making environment design itself a learnable component, SPADE takes a concrete step toward open-ended self-improvement.

cs.CL↗

arXiv2026

An Eye-Tracking Dataset for Viewing Distance Categories in Real-World Scenarios

Estimating viewing distance from gaze behavior is essential for understanding user intent and enabling distance-aware interactive systems. However, most existing eye-tracking datasets have been collected in constrained settings, such as laboratory environments or static tasks. Consequently, they only partially capture viewing behaviors in real-world situations where viewing distance changes with natural head and body movements. We introduce GazeDepth, an eye-tracking dataset collected from 19 participants using a wearable tracker during tasks reflecting real-world scenarios. GazeDepth includes fixed-distance viewing scenarios with constant observer-target distances at near (33 cm), middle (50 cm), and far (300 cm), as well as variable-distance viewing scenarios in which participants shift gaze among targets at different depths in indoor and outdoor environments. The dataset provides synchronized gaze data, pupil size, 3D eye-vectors, and head-motion signals, along with distance labels. Statistical analyses showed that distance-related gaze features, such as vergence angle and estimated viewing distance, differed consistently across viewing-distance categories. In addition, classification models trained on GazeDepth further demonstrated that the dataset captures gaze characteristics that distinguish the three viewing-distance categories, supporting gaze-based distance inference and distance-aware interaction in realistic scenarios.

cs.HC↗

arXiv2026

Prefix Sliding for efficient test-time scaling

Test-time scaling uses extra test-time compute to improve performance, such as letting language models reason longer when solving a problem. As models keep the entire reasoning trace in memory via full attention, hard tasks that need long thinking can be prohibitively expensive. However, we find most intermediate reasoning tokens lose importance as the model continues reasoning. This calls into question whether retaining them is worth the cost. Based on this insight, we propose Prefix Sliding, which discards tokens during reasoning that are not part of the prefix or the window of the last few thousand tokens. The prefix has key instructions and tools available to the model, while the most recent tokens are the current reasoning the model is working on. This caps the total memory requirement regardless of how long the model reasons, allowing for efficient long-horizon test-time scaling. Without training, Prefix Sliding can make existing models 3x faster while maintaining performance. Training with Prefix Sliding using reinforcement learning can achieve better performance by enabling scaling to reasoning traces beyond a hundred thousand tokens. Ablations show Prefix Sliding outperforms summarizing intermediate tokens or vanilla sliding window. Our code is at https://github.com/Muennighoff/prefix-sliding

cs.CL↗

arXiv2026

Multiplayer Nash Preference Optimization

Reinforcement learning from human feedback (RLHF) has emerged as the standard paradigm for aligning large language models with human preferences. However, reward-based methods grounded in the Bradley-Terry assumption struggle to capture the nontransitivity and heterogeneity of real-world preferences. To address this, recent studies have reframed alignment as a two-player Nash game, giving rise to Nash learning from human feedback (NLHF). While this perspective has inspired algorithms such as INPO, ONPO, and EGPO that offer strong theoretical and empirical guarantees, they remain fundamentally restricted to two-player interactions, introducing a single-opponent bias that fails to capture the full complexity of realistic preference structures. This work introduces Multiplayer Nash Preference Optimization (MNPO), a novel framework that generalizes NLHF to the multiplayer regime. It formulates alignment as an n-player game, where each policy competes against a population of opponents while being regularized toward a reference model. We demonstrate that MNPO inherits the equilibrium guarantees of two-player methods while enabling richer competitive dynamics and improved coverage of diverse preference structures. Comprehensive empirical evaluation shows that MNPO consistently outperforms existing NLHF baselines on instruction-following benchmarks, achieving superior alignment quality under heterogeneous annotator conditions and mixed-policy evaluation scenarios. Together, these results establish MNPO as a principled and scalable framework for aligning LLMs with complex, non-transitive human preferences. Code is available at: https://github.com/smiles724/MNPO

cs.AI↗

arXiv2026

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce Proteo-R1, a reasoning-guided protein design framework that explicitly decouples molecular understanding from geometric generation. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an understanding expert, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based generation expert, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.

cs.LG↗

arXiv2026

DeltaPrompts: Escaping the Zero-Delta Trap in Multimodal Distillation

Distillation enables compact Vision-Language Models (VLMs) to obtain strong reasoning capabilities, yet the prompts driving this process are typically chosen via simple heuristics or aggregated from off-the-shelf datasets. We reveal a critical inefficiency in this approach: up to 69% of the prompts in standard chart / document reasoning datasets are effectively zero-delta, meaning the teacher and student already induce the exact same answer distribution. Training on these prompts provides minimal learning signal, causing student improvement to rapidly saturate regardless of data scale. To escape the zero-delta trap, we return to first principles: distillation fundamentally minimizes distributional divergence, and thus a prompt is valuable only if it exposes a functional capability gap between the teacher and student. We quantify this gap through answer divergence ($Δ$), demonstrating that non-zero divergence is critical for effective scaling. Building on this insight, we propose a staged synthesis pipeline that repurposes existing datasets as seeds, actively targeting student failure modes to produce better prompts. The result is DeltaPrompts, a diverse dataset of 200k synthetic, high-divergence reasoning problems. We evaluate DeltaPrompts across three distinct settings: on-policy distillation with the target teacher-student pair, transfer to a novel model family without regenerating the data, and off-policy fine-tuning of a non-reasoning model. Across all scenarios, DeltaPrompts drives substantial gains, yielding up to 15% relative improvement even on top of a highly-optimized reasoning model (e.g., Qwen3-VL-8B-Thinking) -- averaged over 10 benchmarks spanning chart, document and perception-centric reasoning.

cs.LG↗

arXiv2026

Latent Collaboration in Multi-Agent Systems

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we take a step forward by enabling models to collaborate directly within the continuous latent space. We introduce LatentMAS, an end-to-end training-free framework that enables pure latent collaboration among LLM agents. In LatentMAS, each agent first performs auto-regressive latent thoughts generation through last-layer hidden embeddings instead of text. Then, a shared latent working memory preserves and transfers each agent's internal representations and latent thoughts, ensuring lossless information exchange without re-encoding. We provide detailed theoretical analyses showing that LatentMAS achieves higher expressiveness and lossless information preservation with lower overall complexity than standard text-based MAS. In addition, empirical evaluations across 9 comprehensive benchmarks spanning math and science reasoning, commonsense understanding, and code generation show that LatentMAS outperforms advanced single agents and text-based MAS baselines, achieving up to 14.6% higher accuracy, reducing output token usage by 70.8%-83.7%, and providing 4$\times$-4.3$\times$ faster end-to-end inference. Code and data are fully open-sourced at https://github.com/Gen-Verse/LatentMAS.

cs.CL↗

arXiv2026

Structured Scaling of AI Discovery Across Diverse Scientific Domains

Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions. Language models can increasingly participate in these loops, but simply generating more attempts does not ensure progress: parallel searches may duplicate one another and iterative refinement may become trapped in poor directions. The central challenge is therefore not only to scale AI-driven discovery, but to structure that scaling so that evaluation signals compound over time. Here we introduce SimpleTES (Simple Test-time Evaluation-driven Scaling), a framework that focuses on the structured scaling of AI discovery loops, organizing evaluator queries across independent trajectories, iterative refinement, local candidate selection, and the selective reuse of evaluated histories. Drawing on structural features of scientific communities, SimpleTES uses a single open-source GPT-OSS model to establish new state-of-the-art solutions across 28 open-ended problems in diverse scientific domains ranging from quantum physics and astronomy to biology, AI, and mathematics. These include a 24.5% reduction in quantum circuit compilation overhead, up to 23% lower propulsive cost for deep-space trajectories, a 2.17x faster lasso-path solver, an 8.5% lower-error whole-brain neural-activity predictor, the fastest reported TriMul kernel, and new mathematical constructions beyond prior human or AI records. We further post-train the model for long-horizon discovery by assigning each attempt the final outcome of the trajectory it helped produce. This improves performance on both training and held-out mathematics problems, further advancing the frontier. Together, these results establish structured scaling as a general mechanism for advancing AI scientific discovery.

cs.LG↗

arXiv2026

Solar Open 2 Technical Report

We present Solar Open 2, a 250B-A15B Mixture-of-Experts language model built for long-horizon agentic tasks, scaled up from Solar Open 1 (Solar Open 100B). To hold entire agent trajectories in a single context, Solar Open 2 reaches a 1M-token window through a hybrid attention stack that interleaves one softmax layer among every three linear-attention layers, using no positional encoding and a gated delta rule extended to negative eigenvalues. To train at this scale under a fixed compute budget, we make training efficient in two ways: a stronger starting point, and higher-value data. For the starting point, we initialize Solar Open 2 from Solar Open 1, transferring the 5.69B-parameter shared skeleton that survives the architectural change and learning everything else through full pre-training. For the data, we curate for value per token: quality- and rarity-aware data curation and mixture-ratio optimization refine a 20T pool into a 10T mixture that, at equal token budget, outperforms the Solar Open 1 recipe. To build its agent skills, we train twelve domain specialists across purpose-built scenarios, then consolidate them into a single model by Multi-teacher On-Policy Distillation (MOPD). Against comparably sized open-weight models on English benchmarks, Solar Open 2 leads on MMLU-Pro, LiveCodeBench, and the APEX-Agents agentic suite, and stays competitive with the strongest (DeepSeek-V4-Flash and MiMo-V2.5) elsewhere. On Korean benchmarks, Solar Open 2 records the highest average of any model compared, including fast-tier closed APIs, and on Ko-GDPval, an in-house Korean officework-agent benchmark, it is competitive with DeepSeek-V4-Pro (1.6T) at less than a sixth of its size.

cs.CL↗

arXiv2026

In-the-Flow Agentic System Optimization for Effective Planning and Tool Use

Outcome-driven reinforcement learning has advanced reasoning in large language models (LLMs), but prevailing tool-augmented approaches train a single, monolithic policy that interleaves thoughts and tool calls under full context; this scales poorly with long horizons and diverse tools and generalizes weakly to new scenarios. Agentic systems offer a promising alternative by decomposing work across specialized modules, yet most remain training-free or rely on offline training decoupled from the live dynamics of multi-turn interaction. We introduce AgentFlow, a trainable, in-the-flow agentic framework that coordinates four modules (planner, executor, verifier, generator) through an evolving memory and directly optimizes its planner inside the multi-turn loop. To train on-policy in live environments, we propose Flow-based Group Refined Policy Optimization (Flow-GRPO), which tackles long-horizon, sparse-reward credit assignment by converting multi-turn optimization into a sequence of tractable single-turn policy updates. It broadcasts a single, verifiable trajectory-level outcome to every turn to align local planner decisions with global success and stabilizes learning with group-normalized advantages. Across ten benchmarks, AgentFlow with a 7B-scale backbone outperforms top-performing baselines with average accuracy gains of 14.9% on search, 14.0% on agentic, 14.5% on mathematical, and 4.1% on scientific tasks, even surpassing larger proprietary models like GPT-4o. Further analyses confirm the benefits of in-the-flow optimization, showing improved planning, enhanced tool-calling reliability, and positive scaling with model size and reasoning turns.

cs.AI↗

arXiv2026

Prismatic Synthesis: Gradient-based Data Diversification Boosts Generalization in LLM Reasoning

Effective generalization in language models depends critically on the diversity of their training data. Yet existing diversity metrics often fall short of this goal, relying on surface-level heuristics that are decoupled from model behavior. This motivates us to ask: What kind of diversity in training data actually drives generalization in language models -- and how can we measure and amplify it? Through large-scale empirical analyses spanning over 300 training runs, carefully controlled for data scale and quality, we show that data diversity can be a strong predictor of generalization in LLM reasoning -- as measured by average model performance on unseen out-of-distribution benchmarks. We introduce G-Vendi, a metric that quantifies diversity via the entropy of model-induced gradients. Despite using a small off-the-shelf proxy model for gradients, G-Vendi consistently outperforms alternative measures, achieving strong correlation (Spearman's $ρ\approx 0.9$) with out-of-distribution (OOD) performance on both natural language inference (NLI) and math reasoning tasks. Building on this insight, we present Prismatic Synthesis, a framework for generating diverse synthetic data by targeting underrepresented regions in gradient space. Experimental results show that Prismatic Synthesis consistently improves model performance as we scale synthetic data -- not just on in-distribution test but across unseen, out-of-distribution benchmarks -- significantly outperforming state-of-the-art models that rely on 20 times larger data generator than ours. For example, PrismMath-7B, our model distilled from a 32B LLM, outperforms R1-Distill-Qwen-7B -- the same base model trained on proprietary data generated by 671B R1 -- on 6 out of 7 challenging benchmarks.

cs.LG↗

arXiv2026

Chasing Moving Targets with Online Self-Play Reinforcement Learning for Safer Language Models

Conventional large language model (LLM) safety alignment relies on a reactive, disjoint loop: attackers exploit a static model, then defenders patch exposed vulnerabilities. This sequential setup leads to attackers overfitting obsolete exploits while defenders perpetually lag behind emerging threats. To address this, we introduce Self-RedTeam, the first fully online self-play multi-agent reinforcement learning (MARL) algorithm that continuously co-evolves attacker and defender for robust safety alignment. A single policy self-plays as both attacker and defender, generating adversarial prompts and defending against them, with a reward model adjudicating outcomes. Each role uses hidden chain-of-thought for strategic planning. Grounded in two-player zero-sum game theory, we establish a theoretical safety guarantee: if the game converges to Nash Equilibrium, the defender produces safe responses against any adversarial input. Empirically, Self-RedTeam generalizes across five models from the Llama and Qwen families, uncovering more diverse attacks (+17.80% SBERT) and improving safety of RLHF-trained models by up to 95% across 14 benchmarks. Our work motivates a shift from reactive patching to proactive co-evolution, enabling LLM safety self-improvement via online self-play MARL. Link to code: https://github.com/mickelliu/selfplay-redteaming

cs.LG↗

arXiv2026

Deciphering Fingerprints of 3D Molecular Surfaces for Accurate Epitope Prediction

Molecular surfaces encode the geometric and physicochemical patterns that determine antibody-antigen recognition, central to epitope prediction. However, existing methods rely on sequences or backbone structures and struggle to capture discontinuous, surface-driven epitopes. This study presents SurfBind, a surface-centric learning framework for epitope prediction that operates directly on molecular surface representations. SurfBind integrates geometric and physicochemical cues through a Transformer-based architecture with patch-level surface modeling, binder-aware cross-attention, and a hierarchical coarse-to-fine prediction paradigm. Experiments on challenging epitope identification benchmarks, including SAbDab and DB5.5, demonstrate that SurfBind achieves state-of-the-art performance and strong generalization across unseen antibodies and conformational states, highlighting the value of interaction-aware surface modeling for understanding the crucial mechanisms of protein-protein interactions.

cs.LG↗

arXiv2026

ProCUA-SFT Technical Report

Training computer-use agents (CUAs) -- models that interact with graphical desktops through screenshots and keyboard/mouse actions -- requires large-scale, diverse trajectory data collected in full desktop environments. The largest public resource, AgentNet (22.5K human trajectories), leads to negative transfer when used for supervised fine-tuning (SFT): continuing training UI-TARS 7B on AgentNet causes OSWorld success rate to fall from 26.3% to 8-10%. We present ProCUA-SFT, a dataset of 3.1M step-level SFT samples distilled from 93K synthetic trajectories across 2,484 application combinations. The dataset is produced by a fully automated pipeline that (i) synthesizes grounded tasks on live desktops seeded with real-world content -- 912 spreadsheets from SpreadsheetBench, approximately 10K permissively-licensed presentations from Zenodo10K, and multi-application OSWorld configs -- and (ii) verifies each task's feasibility through binary precondition checking before rollout. A single VLM (Kimi-K2.5) serves as goal generator, precondition judge, and trajectory executor, eliminating planner-actor capability gaps. Each trajectory is expanded into step-prefix samples that exactly reproduce the context layout seen at inference time. Fine-tuning UI-TARS 7B on ProCUA-SFT for one epoch yields 45.0% on OSWorld -- an 18.7 percentage-point improvement over the base model and over 35% above AgentNet-trained counterparts. A subset of ProCUA was incorporated into the training data for the Nemotron 3 Nano Omni model, contributing to its computer-use capabilities.

cs.LG↗