Searcharxiv⌕ Search

arXiv subjects

Yejin Choi

Publications and source records attributed to Yejin Choi.

At least 55 records · Page 3Linked to original sources
arXiv2026

SurfDesign: Effective Protein Design on Molecular Surfaces

Protein function is largely determined by molecular surface geometry and physicochemical complementarity, yet most protein design methods condition only on backbone structure. We introduce SurfDesign, a surface-conditioned protein design framework that models molecular surfaces as continuous geometric manifolds and integrates them with pretrained protein language models. SurfDesign employs surface-based equivariant message passing to capture surface normals, curvature, and directional geometry, together with a parameter-efficient fine-tuning strategy. Focusing on functional protein design, we show that SurfDesign consistently outperforms prior surface-conditioned and backbone-only methods on de novo binder and enzyme design benchmarks. We also report strong performance on inverse-folding benchmarks as a diagnostic of structural compatibility. Our results highlight manifold-aware surface representations as a principled foundation for functional protein and enzyme design. Code is available at https://github.com/smiles724/SurfDesign.

q-bio.BM↗
arXiv2026

Gated DeltaNet-2: Decoupling Erase and Write in Linear Attention

Linear attention replaces the unbounded cache of softmax attention with a fixed-size recurrent state, reducing sequence mixing to linear time and decoding to constant memory. The hard part is not just what to forget, but how to edit this compressed memory without scrambling existing associations. Delta-rule models subtract the current read before writing a new value, and Kimi Delta Attention (KDA) sharpens forgetting with channel-wise decay. But the active edit still uses a single scalar gate to control two different things: how much old content to erase on the key side and how much new content to commit on the value side. We introduce Gated DeltaNet-2, which generalizes both Gated DeltaNet and KDA by inheriting adaptive forgetting and channel-wise decay while addressing their shared limitation, the scalar tie between erasing and writing. Gated Delta Rule-2 separates these roles with a channel-wise erase gate b_t and a channel-wise write gate w_t, reducing to KDA when both gates collapse to the same scalar and to Gated DeltaNet when the decay also collapses. We derive a fast-weight update view, a chunkwise WY algorithm with channel-wise decay absorbed into asymmetric erase factors, and a gate-aware backward pass that preserves efficient parallel training. At 1.3B parameters trained on 100B FineWeb-Edu tokens, Gated DeltaNet-2 achieves the strongest overall results among Mamba-2, Gated DeltaNet, KDA, and Mamba-3 variants across language modeling, commonsense reasoning, and retrieval. Its advantage is most pronounced on long-context RULER needle-in-a-haystack benchmarks, where it improves the evaluated multi-key retrieval setting and remains strong in both recurrent and hybrid settings. Code is available at https://github.com/NVlabs/GatedDeltaNet-2.

cs.AI↗
arXiv2026

Introspective X Training: Feedback Conditioning Improves Scaling Across all LLM Training Stages

We tackle the question of how to scale more efficiently across the many, ever-growing stages of current LLM training pipelines. Our guiding intuition stems from the fact that the dynamics of later stages of the pipeline, e.g. post-training, can be used to inform earlier stages such as pre-training. To this end, we propose Introspective Training (or IXT), inspired by offline reward-conditioned reinforcement learning and applicable to any stage of training. IXT uses a thinking reward model to annotate data with natural language critique based feedback, enabling quality aware training from the earliest stages of the pipeline. Models are then trained by prefix-conditioning the data with the generated feedback -- ensuring that not all tokens are treated equally starting much earlier in training than usual. Comprehensive experiments on 7.5-12B transformer-based dense LLMs trained from scratch all the way up to 18 Trillion tokens seen show that our method: bends scaling curves resulting in up to 2.8x more compute efficiency generally; and reaches performance levels unachievable for models trained otherwise in domains such as math and code.

cs.LG↗
arXiv2026

ProfBench: Multi-Domain Rubrics requiring Professional Knowledge to Answer and Judge

Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world applications require evaluating LLMs in processing professional documents, synthesizing information, and generating comprehensive reports in response to user queries. We introduce ProfBench: a set of over 7000 response-criterion pairs as evaluated by human-experts with professional knowledge across Physics PhD, Chemistry PhD, Finance MBA and Consulting MBA. We build robust and affordable LLM-Judges to evaluate ProfBench rubrics, by mitigating self-enhancement bias and reducing the cost of evaluation by 2-3 orders of magnitude, to make it fair and accessible to the broader community. Our findings reveal that ProfBench poses significant challenges even for state-of-the-art LLMs, with top-performing models like GPT-5-high achieving only 65.9% overall performance. Furthermore, we identify notable performance disparities between proprietary and open-weight models and provide insights into the role that extended thinking plays in addressing complex, professional-domain tasks. Data: https://huggingface.co/datasets/nvidia/ProfBench and Code: https://github.com/NVlabs/ProfBench and Leaderboard: https://huggingface.co/spaces/nvidia/ProfBench

cs.CL↗
arXiv2026

How to Instruct Your Robot: Dense Language Annotations Power Robot Policy Learning

Scaling robot policy learning is bottlenecked by the cost of collecting demonstrations, while language annotations for existing demonstrations are comparatively cheap. We study language density as a lever for extracting more signal from a fixed robot or egocentric-video corpus. We introduce DeMiAn (Dense Multi-aspect Annotation), a two-stage approach that first re-labels demonstration segments with VLM-generated annotations along four complementary aspects: physical motion, scene composition, arm pose, and reasoning. A learned instructor then maps a task description and initial scene snapshot to a task-appropriate annotation at deployment, running asynchronously so generation latency is hidden behind policy execution. Across over 1M robot manipulation clips and 50K EgoVerse human-egocentric videos, DeMiAn improves both a vision-language-action policy and a video-based world-action model without collecting new demonstrations. On RoboCasa, the instructor raises success by 5 points over a task-only baseline and comes within 3 points of a per-task oracle. No fixed annotation aspect dominates across tasks, showing that selecting the right dense language matters. DeMiAn also improves composite-task and out-of-distribution performance, and shifts the compute-performance frontier in both mid-training and post-training after accounting for annotation-generation FLOPs. These results position dense re-annotation as a practical scaling lever for robot policy learning.

cs.RO↗
arXiv2026

VideoNet: A Large-Scale Dataset for Domain-Specific Action Recognition

Videos are unique in their ability to capture actions which transcend multiple frames. Accordingly, for many years action recognition was the quintessential task for video understanding. Unfortunately, due to a lack of sufficiently diverse and challenging data, modern vision-language models (VLMs) are no longer evaluated on their action recognition capabilities. To revitalize action recognition in the era of VLMs, we advocate for a returned focus on domain-specific actions. To this end, we introduce VideoNet, a domain-specific action recognition benchmark covering 1,000 distinct actions from 37 domains. We begin with a multiple-choice evaluation setting, where the difference between closed and open models is stark: Gemini 3.1 Pro attains 69.9% accuracy while Qwen3-VL-8B gets a mere 45.0%. To understand why VLMs struggle on VideoNet, we relax the questions into a binary setting, where random chance is 50%. Still, Qwen achieves only 59.2% accuracy. Further relaxing the evaluation setup, we provide $k\in\{1,2,3\}$ in-context examples of the action. Some models excel in the few-shot setting, while others falter; Qwen improves $+7.0\%$, while Gemini declines $-4.8\%$. Notably, these gains fall short of the $+13.6\%$ improvement in non-expert humans when given few-shot examples. Finding that VLMs struggle to fully exploit in-context examples, we shift from test-time improvements to the training side. We collect the first large-scale training dataset for domain-specific actions, totaling nearly 500k video question-answer pairs. Fine-tuning a Molmo2-4B model on our data, we surpass all open-weight 8B models on the VideoNet benchmark.

cs.CV↗
arXiv2026

Beyond Semantic Similarity: Rethinking Retrieval for Agentic Search via Direct Corpus Interaction

Modern retrieval systems, whether lexical or semantic, expose a corpus through a fixed similarity interface that compresses access into a single top-k retrieval step before reasoning. This abstraction is efficient, but for agentic search, it becomes a bottleneck: exact lexical constraints, sparse clue conjunctions, local context checks, and multi-step hypothesis refinement are difficult to implement by calling a conventional off-the-shelf retriever, and evidence filtered out early cannot be recovered by stronger downstream reasoning. Agentic tasks further exacerbate this limitation because they require agents to orchestrate multiple steps, including discovering intermediate entities, combining weak clues, and revising the plan after observing partial evidence. To tackle the limitation, we study direct corpus interaction (DCI), where an agent searches the raw corpus directly with general-purpose terminal tools (e.g., grep, file reads, shell commands, lightweight scripts), without any embedding model, vector index, or retrieval API. This approach requires no offline indexing and adapts naturally to evolving local corpora. Across IR benchmarks and end-to-end agentic search tasks, this simple setup substantially outperforms strong sparse, dense, and reranking baselines on several BRIGHT and BEIR datasets, and attains strong accuracy on BrowseComp-Plus and multi-hop QA without relying on any conventional semantic retriever. Our results indicate that as language agents become stronger, retrieval quality depends not only on reasoning ability but also on the resolution of the interface through which the model interacts with the corpus, with which DCI opens a broader interface-design space for agentic search.

cs.IR↗
arXiv2026

PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking

Existing protein-ligand docking studies typically focus on the self-docking scenario, which is less practical in real applications. Moreover, some studies involve heavy frameworks requiring extensive training, posing challenges for convenient and efficient assessment of docking methods. To fill these gaps, we design PoseX, an open-source benchmark to evaluate both self-docking and cross-docking, enabling a practical and comprehensive assessment of algorithmic advances. Specifically, we curated a novel dataset comprising 718 entries for self-docking and 1,312 entries for cross-docking; second, we incorporated 23 docking methods in three methodological categories, including physics-based methods (e.g., Schrödinger Glide), AI docking methods (e.g., DiffDock) and AI co-folding methods (e.g., AlphaFold3); third, we developed a relaxation method for post-processing to minimize conformational energy and refine binding poses; fourth, we built a leaderboard to rank submitted models in real-time. We derived some key insights and conclusions from extensive experiments: (1) AI approaches have consistently outperformed physics-based methods in overall docking success rate. (2) Most intra- and intermolecular clashes of AI approaches can be greatly alleviated with relaxation, which means combining AI modeling with physics-based post-processing could achieve excellent performance. (3) AI co-folding methods exhibit ligand chirality issues, except for Boltz-1x, which introduced physics-inspired potentials to fix hallucinations, suggesting modeling on stereochemistry improves the structural plausibility markedly. (4) Specifying binding pockets significantly promotes docking performance, indicating that pocket information can be leveraged adequately, particularly for AI co-folding methods, in future modeling efforts. The code, dataset, and leaderboard are released at https://github.com/CataAI/PoseX.

cs.LG↗
arXiv2026

The Surprising Effectiveness of Membership Inference with Simple N-Gram Coverage

Membership inference attacks serves as useful tool for fair use of language models, such as detecting potential copyright infringement and auditing data leakage. However, many current state-of-the-art attacks require access to models' hidden states or probability distribution, which prevents investigation into more widely-used, API-access only models like GPT-4. In this work, we introduce N-Gram Coverage Attack, a membership inference attack that relies solely on text outputs from the target model, enabling attacks on completely black-box models. We leverage the observation that models are more likely to memorize and subsequently generate text patterns that were commonly observed in their training data. Specifically, to make a prediction on a candidate member, N-Gram Coverage Attack first obtains multiple model generations conditioned on a prefix of the candidate. It then uses n-gram overlap metrics to compute and aggregate the similarities of these outputs with the ground truth suffix; high similarities indicate likely membership. We first demonstrate on a diverse set of existing benchmarks that N-Gram Coverage Attack outperforms other black-box methods while also impressively achieving comparable or even better performance to state-of-the-art white-box attacks - despite having access to only text outputs. Interestingly, we find that the success rate of our method scales with the attack compute budget - as we increase the number of sequences generated from the target model conditioned on the prefix, attack performance tends to improve. Having verified the accuracy of our method, we use it to investigate previously unstudied closed OpenAI models on multiple domains. We find that more recent models, such as GPT-4o, exhibit increased robustness to membership inference, suggesting an evolving trend toward improved privacy protections.

cs.CL↗
arXiv2026

EXAONE 4.5 Technical Report

This technical report introduces EXAONE 4.5, the first open-weight vision language model released by LG AI Research. EXAONE 4.5 is architected by integrating a dedicated visual encoder into the existing EXAONE 4.0 framework, enabling native multimodal pretraining over both visual and textual modalities. The model is trained on large-scale data with careful curation, particularly emphasizing document-centric corpora that align with LG's strategic application domains. This targeted data design enables substantial performance gains in document understanding and related tasks, while also delivering broad improvements across general language capabilities. EXAONE 4.5 extends context length up to 256K tokens, facilitating long-context reasoning and enterprise-scale use cases. Comparative evaluations demonstrate that EXAONE 4.5 achieves competitive performance in general benchmarks while outperforming state-of-the-art models of similar scale in document understanding and Korean contextual reasoning. As part of LG's ongoing effort toward practical industrial deployment, EXAONE 4.5 is designed to be continuously extended with additional domains and application scenarios to advance AI for a better life.

cs.CL↗
arXiv2026

RAGEN-2: Reasoning Collapse in Agentic RL

RL training of multi-turn LLM agents is inherently unstable, and reasoning quality directly determines task performance. Entropy is widely used to track reasoning stability. However, entropy only measures diversity within the same input, and cannot tell whether reasoning actually responds to different inputs. In RAGEN-2, we find that even with stable entropy, models can rely on fixed templates that look diverse but are input-agnostic. We call this template collapse, a failure mode invisible to entropy and all existing metrics. To diagnose this failure, we decompose reasoning quality into within-input diversity (Entropy) and cross-input distinguishability (Mutual Information, MI), and introduce a family of mutual information proxies for online diagnosis. Across diverse tasks, mutual information correlates with final performance much more strongly than entropy, making it a more reliable proxy for reasoning quality. We further explain template collapse with a signal-to-noise ratio (SNR) mechanism. Low reward variance weakens task gradients, letting regularization terms dominate and erase cross-input reasoning differences. To address this, we propose SNR-Aware Filtering to select high-signal prompts per iteration using reward variance as a lightweight proxy. Across planning, math reasoning, web navigation, and code execution, the method consistently improves both input dependence and task performance.

cs.LG↗
arXiv2026

DeepSearch: Overcome the Bottleneck of Reinforcement Learning with Verifiable Rewards via Monte Carlo Tree Search

Although RLVR has become an essential component for developing advanced reasoning skills in language models, contemporary studies have documented training plateaus after thousands of optimization steps, i.e., notable decreases in performance gains despite increased computational investment. This limitation stems from the sparse exploration patterns inherent in current RLVR practices, where models rely on limited rollouts that often miss critical reasoning paths and fail to provide systematic coverage of the solution space. We present DeepSearch, a framework that integrates Monte Carlo Tree Search (MCTS) directly into RLVR training. In contrast to existing methods that rely on tree search only at inference, DeepSearch embeds structured search into the training loop, enabling systematic exploration and fine-grained credit assignment across reasoning steps. Through training-time exploration, DeepSearch addresses the fundamental bottleneck of insufficient exploration, which leads to diminishing performance gains over prolonged training. Our contributions include: (1) a global frontier selection strategy that prioritizes promising nodes across the search tree, (2) selection with entropy-based guidance that identifies confident paths for supervision, and (3) adaptive replay buffer training with solution caching for efficiency. Experiments on mathematical reasoning benchmarks show that DeepSearch achieves an average accuracy of 62.95\% and establishes a new state-of-the-art reasoning model, while using 5.7x fewer GPU hours than extended training approaches. These results highlight the importance of strategic exploration over brute-force scaling and demonstrate the promise of algorithmic innovation for advancing RLVR methodologies. DeepSearch establishes a new direction for scaling reasoning capabilities through systematic search rather than prolonged computation.

cs.AI↗
arXiv2026

Synthetic Mixed Training: Scaling Parametric Knowledge Acquisition Beyond RAG

Synthetic data augmentation helps language models learn new knowledge in data-constrained domains. However, naively scaling existing synthetic data methods by training on more synthetic tokens or using stronger generators yields diminishing returns below the performance of RAG. To break the RAG ceiling, we introduce Synthetic Mixed Training, which combines synthetic QAs and synthetic documents. This leverages their complementary training signals, and enables log-linear improvements as both synthetic data volume and generator strength increase. This allows the model to outperform RAG by a 2.6% relative gain on QuaLITY, a long-document reading comprehension benchmark. In addition, we introduce Focal Rewriting, a simple technique for synthetic document generation that explicitly conditions document generation on specific questions, improving the diversity of synthetic documents and yielding a steeper log-linear scaling curve. On QuaLITY, our final recipe trains a Llama 8B model that outperforms RAG by 4.4% relatively. Across models and benchmarks (QuaLITY, LongHealth, FinanceBench), our training enables models to beat RAG in five of six settings, outperforms by 2.6%, and achieves a 9.1% gain when combined with RAG.

cs.LG↗
arXiv2026

Data-efficient pre-training by scaling synthetic megadocs

Synthetic data augmentation has emerged as a promising solution when pre-training is constrained by data rather than compute. We study how to design synthetic data algorithms that achieve better loss scaling: not only lowering loss at finite compute but especially as compute approaches infinity. We first show that pre-training on web data mixed with synthetically generated rephrases improves i.i.d. validation loss on the web data, despite the synthetic data coming from an entirely different distribution. With optimal mixing and epoching, loss and benchmark accuracy improve without overfitting as the number of synthetic generations grows, plateauing near $1.48\times$ data efficiency at 32 rephrases per document. We find even better loss scaling under a new perspective: synthetic generations from the same document can form a single substantially longer megadocument instead of many short documents. We show two ways to construct megadocs: stitching synthetic rephrases from the same web document or stretching a document by inserting rationales. Both methods improve i.i.d. loss, downstream benchmarks, and especially long-context loss relative to simple rephrasing, increasing data efficiency from $1.48\times$ to $1.80\times$ at $32$ generations per document. Importantly, the improvement of megadocs over simple rephrasing widens as more synthetic data is generated. Our results show how to design synthetic data algorithms that benefit more from increasing compute when data-constrained.

cs.LG↗
arXiv2026

Biased AI can Influence Political Decision-Making

As modern large language models (LLMs) become integral to everyday tasks, concerns about their inherent biases and their potential impact on human decision-making have emerged. While bias in models are well-documented, less is known about how these biases influence human decisions. This paper presents two interactive experiments investigating the effects of partisan bias in LLMs on political opinions and decision-making. Participants interacted freely with either a biased liberal, biased conservative, or unbiased control model while completing these tasks. We found that participants exposed to partisan biased models were significantly more likely to adopt opinions and make decisions which matched the LLM's bias. Even more surprising, this influence was seen when the model bias and personal political partisanship of the participant were opposite. However, we also discovered that prior knowledge of AI was weakly correlated with a reduction of the impact of the bias, highlighting the possible importance of AI education for robust mitigation of bias effects. Our findings not only highlight the critical effects of interacting with biased LLMs and its ability to impact public discourse and political conduct, but also highlights potential techniques for mitigating these risks in the future.

cs.HC↗
arXiv2026

Nemotron-CrossThink: Scaling Self-Learning beyond Math Reasoning

Large Language Models (LLMs) have shown strong reasoning capabilities, particularly when enhanced through Reinforcement Learning (RL). While prior work has successfully applied RL to mathematical reasoning -- where rules and correctness are well-defined -- generalizing these methods to broader reasoning domains remains challenging due to limited data, the lack of verifiable reward structures, and diverse task requirements. In this work, we propose NEMOTRON-CROSSTHINK, a framework that systematically incorporates multi-domain corpora, including both synthetic and real-world question-answer pairs, into RL training to improve generalization across diverse reasoning tasks. NEMOTRON-CROSSTHINK addresses key challenges by (1) incorporating data from varied sources spanning STEM, humanities, social sciences, etc.; (2) applying structured templates (e.g., multiple-choice and open-ended) to control answer-space complexity; (3) filtering for verifiable answers; and (4) optimizing data blending strategies that utilizes data from multiple sources effectively. Our approach enables scalable and verifiable reward modeling beyond mathematics and demonstrates improved accuracies on both math (MATH-500: +30.1%, AMC23:+27.5%) and non-math reasoning benchmarks (MMLU-PRO: +12.8%, GPQA-DIAMOND: +11.3%, AGIEVAL: +15.1%, SUPERGPQA: +3.8%). Moreover, NEMOTRON-CROSSTHINK exhibits significantly improved response efficiency -- using 28% fewer tokens for correct answers -- highlighting more focused and effective reasoning. Through NEMOTRON-CROSSTHINK, we demonstrate that integrating multi-domain, multi-format data in RL leads to more accurate, efficient, and generalizable LLMs.

cs.LG↗
arXiv2026

A False Sense of Privacy: Evaluating Textual Data Sanitization Beyond Surface-level Privacy Leakage

Sanitizing sensitive text data typically involves removing personally identifiable information (PII) or generating synthetic data under the assumption that these methods adequately protect privacy; however, their effectiveness is often only assessed by measuring the leakage of explicit identifiers but ignoring nuanced textual markers that can lead to re-identification. We challenge the above illusion of privacy by proposing a new framework that evaluates re-identification attacks to quantify individual privacy risks upon data release. Our approach shows that seemingly innocuous auxiliary information -- such as routine social activities -- can be used to infer sensitive attributes like age or substance use history from sanitized data. For instance, we demonstrate that Azure's commercial PII removal tool fails to protect 74\% of information in the MedQA dataset. Although differential privacy mitigates these risks to some extent, it significantly reduces the utility of the sanitized text for downstream tasks. Our findings indicate that current sanitization techniques offer a \textit{false sense of privacy}, highlighting the need for more robust methods that protect against semantic-level information leakage.

cs.CR↗
arXiv2026

Resource Rational Contractualism Should Guide AI Alignment

AI systems will soon have to navigate human environments and make decisions that affect people and other AI agents whose goals and values diverge. Contractualist alignment proposes grounding those decisions in agreements that diverse stakeholders would endorse under the right conditions, yet securing such agreement at scale remains costly and slow -- even for advanced AI. We therefore propose Resource-Rational Contractualism (RRC): a framework where AI systems approximate the agreements rational parties would form by drawing on a toolbox of normatively-grounded, cognitively-inspired heuristics that trade effort for accuracy. An RRC-aligned agent would not only operate efficiently, but also be equipped to dynamically adapt to and interpret the ever-changing human social world.

cs.AI↗