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Applications · Health / Medicine

Josh Sun, Morteza Babaie, Wenyang hou, Mark Crowley, David Young

Antibody expression ranking is a critical task in antibody design, yet its modeling is severely hindered by the scarcity of labeled experimental data. To address this, we propose a unified preference-based learning framework that integrates scarce quantitative expression data with large-scale weak positive supervision from immunization data. We adapt Direct Preference Optimization (DPO) to protein language models by introducing a union-masked log-likelihood approximation and IMGT-based alignment, enabling efficient training on variable-length sequences. Evaluating on a diverse internal dataset of 1254 labeled sequences and 4 million unlabeled camelid-derived antibodies, we show that our method consistently outperforms baselines on most metrics. Our results demonstrate that preference learning can effectively learn from weak supervision, providing a scalable solution for antibody expressibility optimization in data-constrained settings.

Social Aspects · Accountability, Transparency, and Interpretability

Tianyi She, Jiawei Liu, Weifeng Liu, Hanqing Zhao, Weiming Zhang, Kejiang Chen

Recent advances in LipSync generation technology have led to the creation of highly realistic videos, posing severe societal risks. However, existing defense strategies struggle against LipSync forgeries, as state-of-the-art generative models not only optimize for the lip synchronization but also significantly eliminate visual artifacts, resulting in the lack of key detection signals. Inspired by the inherent biological coupling between lip movements and head poses in natural speech, we observe that generative models fundamentally disrupt this global coordination when optimizing for local lip motion. In this paper, we propose LipDA, a novel framework for joint LipSync Detection and Attribution, which takes advantage of the inconsistency between head and lip. For detection, the framework learns to quantify this discrepancy by contrasting lip and pose features from authentic versus forged videos. For attribution, our method is designed to capture the unique temporal dynamics and audio-visual synchronization patterns that act as generative fingerprints, enabling source tracing. To validate our approach, we conduct extensive experiments on two challenging LipSync benchmarks as well as on our own proposed large-scale and multi-generator dataset, LipSyncBench-A. LipDA achieves over 97% AUC in detection and 97.5% accuracy in model attribution, significantly outperforming existing methods.

Micah Adler

We study the capacity of the self-attention key-query channel: for a fixed budget, how many distinct token-token relations can a single layer reliably encode? We introduce *Relational Graph Recognition*, where the key-query channel encodes a directed graph and, given a context (a subset of the vertices), must recover the neighbors of each vertex in the context. We measure resources by the total key dimension $D_K = hd_k$. In a tractable multi-head model, we prove matching information-theoretic lower bounds and upper bounds via explicit constructions showing that recovering a graph with $m'$ relations in $d_{\text{model}}$-dimensional embeddings requires $D_K$ to grow essentially as $m'/d_{\text{model}}$ up to logarithmic factors, and we obtain corresponding guarantees for scaled-softmax attention. This analysis yields a new, capacity-based rationale for multi-head attention: even in permutation graphs, where **all queries attend to a single target**, splitting a fixed $D_K$ budget into multiple heads increases capacity by reducing interference from embedding superposition. Controlled experiments mirror the theory, revealing sharp phase transitions at the predicted capacity, and the multi-head advantage persists when adding softmax normalization, value routing, and a full Transformer block trained with frozen GPT-2 embeddings.

Probabilistic Methods · Monte Carlo and Sampling Methods

Bin Yang, Xiaojie Wang

Sampling from a high-dimensional probability distribution is a fundamental algorithmic task arising in wide-ranging applications across multiple disciplines, including scientific computing, computational statistics and machine learning. Langevin Monte Carlo (LMC) algorithms are among the most widely used sampling methods in high dimensional settings. This paper introduces a novel higher-order and Hessian-free LMC sampling algorithm based on an efficient stochastic Runge-Kutta method of strong order $1.5$ for the overdamped Langevin dynamics. In contrast to the existing Runge-Kutta type LMC (Li et al.,2019) involved with three gradient evaluations, the newly proposed algorithm is computationally cheaper and requires only two gradient evaluations for one iteration. Under certain log-smooth conditions, non-asymptotic error bounds of the proposed algorithms are analyzed in $\mathcal{W}_2$-distance. In particular, a uniform-in-time convergence rate of order $O(d ^{\frac32} h^{\frac32})$ is derived in a non-log-concave setting, matching the convergence rate proved in the aforementioned work but under the log-concavity condition. Numerical experiments are finally presented to demonstrate the effectiveness of the new sampling algorithm.

Deep Learning · Large Language Models

Yi-Kai Zhang, Zhiyuan Yao, Hongyan Hao, Yueqing Sun, Qi GU, Hui Su, Xunliang Cai, De-Chuan Zhan, Han-Jia Ye

Traditional value models $V^{\pi}$ in LLM reinforcement learning face a coupling dilemma: they require synchronous training alongside the updating policy $\pi$, causing inefficiency and overfitting. In this paper, we propose $V_0$, a generalist value model that decouples value estimation from specific policy parameters by reframing the task as in-context learning to predict performance for unseen policies. We utilize the policy's historical query-performance pairs as a capability representation, transforming from $V^{\pi}(s_0)$ to $V(C_{\pi}, s_0)$, where $C_{\pi}$ serves as an in-context input. This architecture enables us to scale the diversity of policies within the training set. Consequently, $V_0$ achieves scaling in learning to rapidly identify the capability boundaries of any policy without updating its parameters. Technically, we employ a Residual Query Adapter to compress the high-dimensional policy representation and the target query into structured features, which are then processed by a pre-trained TabPFN head. Empirical results show that $V_0$ outperforms coupled value models in tracking policy evolution during GRPO training, optimizes cold-start budget allocation, and approaches the performance-cost Pareto frontier in inference routing.

Deep Learning · Large Language Models

Feng Zhao, Hong Zhang, Yu Yang, Ruilin Zhao, Guandong Xu

Supervised fine-tuning (SFT) is central to aligning large language models (LLMs) with instruction following and task-specific reasoning. Despite its success, SFT optimizes token-level likelihoods under the implicit assumption that strictly fitting all tokens in expert demonstrations induces the desired downstream behavior. However, in reasoning tasks where correctness is defined by logical validity or final outcomes rather than exact token realizations, this assumption can lead to optimization misalignment. We empirically observe that low-probability tokens in reasoning demonstrations often correspond to realization-specific or stylistic variations, and that reducing their influence during training consistently improves generalization on reasoning benchmarks. Motivated by this insight, we propose the *Bounded Log-Likelihood Loss* (BLL-Loss), a simple and parameter-free alternative to standard likelihood training that bounds gradient contributions from low-probability tokens while preserving conventional optimization behavior. We provide theoretical insights and extensive empirical results demonstrating that BLL-Loss improves reasoning generalization across diverse model scales and challenging benchmarks.

Deep Learning · Graph Neural Networks

James Flora, Mitchell Black, Weng-Keen Wong, Amir Nayyeri

Positional encodings (PEs) enhance the power of graph neural networks (GNNs), both theoretically and empirically. Two of the most popular families of PEs---spectral (e.g., Laplacian eigenspaces, effective resistance) and random walk (polynomials of the adjacency matrix)---are theoretically equivalent in expressive power, and both are known to lie between the 1-WL and 3-WL tests in terms of expressivity. However, this equivalence assumes the GNN uses the "complete'' version of these PEs, which requires $O(n^3)$ time and space complexity. Practitioners therefore commonly use truncated variants of these encodings (e.g., the first $k$ eigenspaces or powers of adjacency matrix). However, the theoretical properties of these truncated PEs are unknown. In this work, we initiate the study of these truncated PEs. Theoretically, we show that, under truncation, several families of PEs are fundamentally different in expressive power. As a corollary, we show that truncated spectral PEs are no longer stronger than the 1-WL test. We also study a family of spectral PEs, the $k$-harmonic distances, to highlight the differences in expressive power of even closely related truncated PEs. Finally, we experimentally show that a mix of truncated PEs is preferable to any single family on real-world datasets.

Theory · Reinforcement Learning and Planning

Min Wang, Xin Li, Ye He, Mingzhong Wang, Yonggang Zhang

Meta-Reinforcement Learning (Meta-RL) faces significant challenges in non-parametric settings, where vastly different return scales across diverse tasks cause severe gradient interference. Existing categorical solutions attempt to normalize these scales but often fail due to rigid discretization and quantization errors. To address this, we propose Reflect-then-Correct (RTC), a framework that models meta-values using Sinkhorn divergence. By treating distributions as adaptive floating particles, RTC achieves a geometry-aware alignment of distinct meta-task structures. However, while Sinkhorn updates harmonize gradients, they introduce statistical bias via sampling estimation. RTC overcomes this by ''reflecting'' on the temporal accumulation of Bellman inconsistencies through a recursive error model and ''correcting'' the optimization via adaptive importance weights that prioritize transitions critical for accuracy. We provide theoretical guarantees for this reweighting strategy and demonstrate that RTC outperforms existing baselines on the challenging Meta-World ML-10 and ML-45 benchmarks.

Applications · Robotics

Yu Guan, Zekun Qi, Chenghuai Lin, Xuchuan Chen, Wenyao Zhang, Jilong Wang, XinQiang Yu, He Wang, Li Yi

We argue that high-quality motion data can steer tracking policies toward better optimization trajectories early in training. In this work, we introduce LIMMT (Less Is More for Motion Tracking). To our knowledge, this is the first data-centric study for physics-based humanoid motion tracking. We go beyond simply removing erroneous clips. We define motion data quality through three dimensions: physics feasibility, diversity, and complexity. We show that training with under 3% of AMASS yields better tracking performance than training with the full dataset. Extensive experiments and analyses validate the effectiveness of our framework. We will release our code and curated data on GitHub.

Theory · Everything Else

Siyi Lyu, Quan Liu, Feng Yan

Vision Transformers (ViTs) excel in semantic recognition but exhibit systematic failures in spatial reasoning tasks such as mental rotation. While often attributed to data scale, this work argues that the limitation arises from the intrinsic circuit complexity of the architecture. By formalizing spatial understanding as a **Group Homomorphism Problem**—requiring that latent embeddings preserve the algebraic composition of physical transformations acting on images—a fundamental computational bottleneck is identified. Specifically, for non-solvable groups (e.g., $\mathrm{SO}(3)$), maintaining such structure-preserving embeddings is lower-bounded by the Word Problem, which is $\mathsf{NC^1}$-complete. In contrast, constant-depth ViTs with polynomial precision are strictly bounded by the complexity class $\mathsf{TC^0}$. Under the standard conjecture $\mathsf{TC^0} \subsetneq \mathsf{NC^1}$, a **complexity boundary** emerges: constant-depth architectures lack the logical depth required to capture non-solvable spatial structures. This theoretical gap is empirically validated via the **Latent Space Algebra (LSA)** benchmark, which reveals a structural collapse in ViT representations as the compositional depth of non-solvable tasks increases.

Deep Learning · Large Language Models

Feng Zhao, Hong Zhang, Yu Yang, Ruilin Zhao, Guandong Xu

Supervised fine-tuning (SFT) is central to aligning large language models (LLMs) with instruction following and task-specific reasoning. Despite its success, SFT optimizes token-level likelihoods under the implicit assumption that strictly fitting all tokens in expert demonstrations induces the desired downstream behavior. However, in reasoning tasks where correctness is defined by logical validity or final outcomes rather than exact token realizations, this assumption can lead to optimization misalignment. We empirically observe that low-probability tokens in reasoning demonstrations often correspond to realization-specific or stylistic variations, and that reducing their influence during training consistently improves generalization on reasoning benchmarks. Motivated by this insight, we propose the *Bounded Log-Likelihood Loss* (BLL-Loss), a simple and parameter-free alternative to standard likelihood training that bounds gradient contributions from low-probability tokens while preserving conventional optimization behavior. We provide theoretical insights and extensive empirical results demonstrating that BLL-Loss improves reasoning generalization across diverse model scales and challenging benchmarks.

General Machine Learning · Supervised Learning

Zhiwen Cao, Yanfeng Li, Shudong Huang, Yalan Ye, Shuyin Xia, Yi Wang, Jiancheng Lv

Recent class-incremental learning (CIL) methods built on large pre-trained vision models have shown that strong performance can be retained even under strict data access constraints. This raises a fundamental question: which properties of pre-trained representations make such recovery possible in the class-incremental setting? In this work, we show that class-level feature statistics play a central role in enabling effective CIL under strong pre-training. When the visual backbone is frozen, maintaining simple class-wise statistics—such as prototypes and low-order distributional information—can recover a substantial fraction of the performance achieved by static joint training across diverse benchmarks. We make this observation explicit through deliberately minimal reference points built on frozen CLIP representations. In particular, we demonstrate that competitive performance can be obtained even without continual training, by performing inference directly from accumulated class-level statistics. Our findings suggest that class-level statistics constitute an important and previously underemphasized component of recent CIL approaches based on pre-trained models, offering a complementary perspective for understanding their strong empirical performance.

General Machine Learning · Representation Learning

Ziying Chen, Yang Cao, He Sun, Beining Yang, Tianjian Yang

We study Vector Linking: given two embedding clouds produced by different black-box encoders over partially overlapping datasets, recover cross-model object correspondences using only vectors. Empirically and theoretically, we show that independently trained contrastive encoders exhibit local geometric consistency: short-range distances are approximately preserved up to a scale factor, while long-range distances are not due to model-specific distortion. Building on this, we propose an iterative, reference-based geometric embedding hashing that recovers vector links from a tiny seed set of paired anchors. It represents each vector by distances to sampled paired anchors, proposes candidate links via hash-space matching, and aggregates evidence across views in a Beta--Bernoulli posterior to bootstrap high-confidence links as new anchors. Experiments across multiple benchmarks and embedding model pairs demonstrate accurate and robust linking under varying overlap, seed budgets, and out-of-domain references, with applications to vector database integration and cross-model clustering.

Social Aspects · Safety

Fengyu Duan, Xudong Pan, Yawen Duan, Adam Gleave, Ranjie Duan, Jianfeng Cao, Wenqi Chen, Yinpeng Dong, Jiarun Dai, Jie Fu 等

AI systems may exhibit deceptive behaviors that mislead developers about their capabilities, propensities, or actions. Such deception can take distinct forms across the development lifecycle: training subversion, evaluation gaming, and control evasion. We argue that the AI community should prioritize AI deception targeting developers as a distinct risk category because it compromises developers' ability to identify and mitigate all other risks. We propose three recommendations for developers: preserving monitorability during training, ensuring safety evaluation integrity against evaluation-aware systems, and establishing non-evadable control prior to deployment. We identify open problems for the research community, whose resolution is critical for the safe development of frontier AI.

Social Aspects · Robustness

Heming Du, Jiaying Ying, Kaihao Zhang, Tianqing Zhu, Xin Yu

In this position paper, we argue that human-centric vision requires skeletal-topology generalization beyond fixed skeletons. Mainstream pose and body pipelines enforce a fixed skeleton graph with an indexed joint list and fixed adjacency, so the fixed joint inventory does not cover structural absence and anatomical absence becomes an ill-posed target for individuals with limb deficiencies. Anatomical absence is not a visibility state, so masking and forced completion can hide structural mismatch and produce hallucinated structure that contaminates downstream reasoning in prosthesis-facing settings. We argue that scaling data and model size alone does not resolve this mismatch while the skeleton schema remains fixed, and this is not a niche concern because these failures affect a large population and reach accessibility-facing systems. We advocate instance-adaptive skeletal topology, where a model jointly predicts joint existence and skeletal connectivity to produce an instance-specific skeleton graph that supports consistent inference and evaluation. We outline measurement upgrades, including existence-aware annotations with explicit absence semantics, skeletal-topology-aware scoring, and hallucination-under-absence penalties, and we close with a call to action for dataset curators, benchmark organizers, and model builders to treat morphological variation as a first-class generalization axis.

Deep Learning · Large Language Models

Seonggeun Kim, Gilha lee, Hyun Kim

Large language models (LLMs) incur substantial inference latency due to autoregressive decoding, in which each token requires a full forward pass through all transformer layers. Early-exit methods that terminate computation at intermediate layers offer a promising remedy, yet existing approaches suffer from fundamental limitations. Confidence-based methods rely on evaluating the full LM head at every layer, introducing considerable overhead that can negate the expected speedup. Schedule-based methods avoid this cost through predetermined exit schedules, but their monotonically decreasing layer allocation collapses to shallow layers, thereby constraining the maximum generation length. Learned exit predictors further require costly task-specific training and are vulnerable to distribution shifts in unseen domains. We propose Window-Aware Vocabulary-Efficient Early-Exit (WAVE), a training-free framework that addresses these challenges through two key innovations. First, exit window scheduling identifies an optimal layer range for early-exit decisions via offline calibration, preventing premature convergence to shallow layers while substantially reducing the number of exit checks. Second, a proxy LM head constructs a lightweight vocabulary subset at the window’s starting layer, reducing per-layer exit overhead by 87\% relative to full LM head. WAVE requires no gradient-based training and enables immediate deployment with only a brief calibration phase. Experiments on Llama-2 7B demonstrate up to 1.4$\times$ average speedup while preserving output quality, with full compatibility with W4A16 quantization, establishing WAVE as a practical early-exit framework for accelerating LLMs inference without retraining.

Social Aspects · Accountability, Transparency, and Interpretability

Maxime Méloux, François Portet, Maxime Peyrard

Mechanistic Interpretability (MI) aims to reverse-engineer model behaviors by identifying functional sub-networks. Yet, the scientific validity of these findings depends on their stability. In this work, we argue that circuit discovery is not a standalone task but a statistical estimation problem built upon causal mediation analysis (CMA). We uncover a fundamental instability at this base layer: exact, single-input CMA scores exhibit high intrinsic variance, implying that the causal effect of a component is a volatile random variable rather than a fixed property. We then demonstrate that circuit discovery pipelines inherit this variance and further amplify it. Fast approximation methods, such as Edge Attribution Patching and its successors, introduce additional estimation noise, while aggregating these noisy scores over datasets leads to fragile structural estimates. Consequently, small perturbations in input data or hyperparameters yield vastly different circuits. We systematically decompose these sources of variance and advocate for more rigorous MI practices, prioritizing statistical robustness and routine reporting of stability metrics.

Deep Learning · Large Language Models

Chenglei Si, Zitong Yang, Yejin Choi, Emmanuel J Candes, Diyi Yang, Tatsunori Hashimoto

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems -- LLM pre-training and post-training -- into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts.

Probabilistic Methods · Graphical Models

José Á. Sánchez Gómez, Weibin Mo, Junlong Zhao, Yufeng Liu

The Gaussian graphical model (GGM) is a useful tool to represent relationships of conditional dependence among variables. In many real-world applications, datasets often contain multiple related sub-populations, whose associated GGMs may have common structure, as well as large structural differences. In such cases, it is useful to recover common hub variables, which are the highly connected variables in the GGMs of all sub-populations. In this paper, we propose the Joint Inverse Components for Hub Detection (JIC-HD) method to recover the common hubs across multiple GGMs without the need to estimate all subpopulation GGMs. To this end, we introduce joint minimax eigenspaces, and show that these can be leveraged for the recovery of common hubs. We establish theoretical guarantees for the recovery of common hubs. Additionally, our numerical simulation studies confirm superior performance of our JIC-HD in detecting common hubs compared to the existing methods in the literature. Our method is especially advantageous when the multiple GGMs have both common and individual hubs across sub-populations. Finally, we analyze cancer gene-expression datasets and identify biologically meaningful common hub genes across cancer subtypes.

Sagnik Mukherjee, Lifan Yuan, Pavan Jayasinha, Dilek Hakkani-Tür, Hao Peng

Reinforcement learning (RL), particularly RL from verifiable reward (RLVR), has become a crucial phase of training large language models (LLMs) and a key focus of current scaling efforts. However, optimization practices in RL largely follow those of next-token-prediction stages (e.g., pretraining and supervised fine-tuning), despite the fundamental differences between RL and these stages emphasized by recent work. One such practice is the use of the AdamW optimizer, which is widely adopted for training large-scale transformers despite its high memory overhead. Our analysis shows that both momentum and adaptive learning rate of AdamW are less influential in RL than in SFT, leading us to hypothesize that RL benefits less from Adam’s per-parameter adaptive learning rates and momentum. Confirming our hypothesis, our experiments demonstrate that the substantially more memory-efficient SGD, which is known to perform poorly in supervised learning of large-scale transformers, matches or even outperforms AdamW in RL for LLMs. Remarkably, full fine-tuning with SGD updates fewer than 0.02% of model without any sparsity-promoting regularization, more than 1,000 times fewer than AdamW. Our analysis offers potential reasons for this update sparsity. Our findings provide fresh insights into the optimization dynamics of RL in LLMs and demonstrate that RL can be substantially more parameter-efficient than previously recognized.