Research Conference Spotlight

Doctoral Consortium

Ethical Computing Education in the Age of Generative AI
Grace Barkhuff

Educating computing students in ethical practices is vitally important. This education is complicated by the rapid rise of generative AI (GenAI) and its use in higher education by students and instructors alike. My research aims to understand computing educators’ perceptions on ethically educating computing students, both about and with GenAI.

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Lightning Talks and Posters

Benchmarking of Generative AI Tools in Software Engineering Education: Formative Insights for Curriculum Integration
Nimisha Roy, Oleksandr Horielko, Fisayo Omojokun

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Exploring Community Perceptions and Experiences Towards Academic Dishonesty in Computing Education
Chandler C. Payne, Kai A. Hackney, Lucas Guarenti Zangari, Emmanuel Munoz, Sterling R. Kalogeras, Juan Sebastián Sánchez-Gómez, Fisayo Omojokun, Pedro Guillermo Feijóo-García

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Should I Submit or Should I Not? Exploring the Effects of Mandatory vs. Voluntary Tasks on Student Engagement in Computing Education
Lucas Guarenti Zangari, Emilio Aponte-Archila, Pedro Guillermo Feijóo-García

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What Computing Faculty Want: Designing AI Tools for High-Enrollment Courses Beyond CS1
Rodrigo Borela, Meryem Yilmaz Soylu, Jeonghyun Lee, Nimisha Roy

Algorithms

Learning to Stop: Deep Learning for Mean Field Optimal Stopping

Lorenzo Magnino, Yuchen Zhu, Mathieu Lauriere

Optimal stopping is a fundamental problem in optimization with applications in risk management, finance, robotics, and machine learning. We extend the standard framework to a multi-agent setting, named multi-agent optimal stopping (MAOS), where agents cooperate to make optimal stopping decisions in a finite-space, discrete-time environment. Since solving MAOS becomes computationally prohibitive as the number of agents is very large, we study the mean-field optimal stopping (MFOS) problem, obtained as the number of agents tends to infinity. We establish that MFOS provides a good approximation to MAOS and prove a dynamic programming principle (DPP) based on mean-field control theory. We then propose two deep learning approaches: one that learns optimal stopping decisions by simulating full trajectories and another that leverages the DPP to compute the value function and to learn the optimal stopping rule using backward induction. Both methods train neural networks to approximate optimal stopping policies. We demonstrate the effectiveness  and the scalability of our work through numerical experiments on 6 different problems in spatial dimension up to 300. To the best of our knowledge, this is the first work to formalize and computationally solve MFOS in discrete time and finite space, opening new directions for scalable MAOS methods.

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PEAKS: Selecting Key Training Examples Incrementally via Prediction Error Anchored by Kernel Similarity

Mustafa Burak Gurbuz, Xingyu Zheng, Constantine Dovrolis

As deep learning continues to be driven by ever-larger datasets, understanding which examples are most important for generalization has become a critical question. While progress in data selection continues, emerging applications require studying this problem in dynamic contexts. To bridge this gap, we pose the Incremental Data Selection (IDS) problem, where examples arrive as a continuous stream, and need to be selected without access to the full data source. In this setting, the learner must incrementally build a training dataset of predefined size while simultaneously learning the underlying task. We find that in IDS, the impact of a new sample on the model state depends fundamentally on both its geometric relationship in the feature space and its prediction error. Leveraging this insight, we propose PEAKS (Prediction Error Anchored by Kernel Similarity), an efficient data selection method tailored for IDS. Our comprehensive evaluations demonstrate that PEAKS consistently outperforms existing selection strategies. Furthermore, PEAKS yields increasingly better performance returns than random selection as training data size grows on real-world datasets. The  code is available at https://github.com/BurakGurbuz97/PEAKS.

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Unpaired Point Cloud Completion via Unbalanced Optimal Transport

Taekyung Lee, Jaemoo Choi, Jaewoong Choi, Myungjoo Kang

Unpaired point cloud completion is crucial for real-world applications, where ground-truth data for complete point clouds are often unavailable. By learning a completion map from unpaired incomplete and complete point cloud data, this task avoids the reliance on paired datasets. In this paper, we propose the \textit{Unbalanced Optimal Transport Map for Unpaired Point Cloud Completion (\textbf{UOT-UPC})} model, which formulates the unpaired completion task as the (Unbalanced) Optimal Transport (OT) problem. Our method employs a Neural OT model learning the UOT map using neural networks. Our model is the first attempt to leverage UOT for unpaired point cloud completion, achieving competitive or superior performance on both single-category and multi-category benchmarks. In particular, our approach is especially robust under the class imbalance problem, which is frequently encountered in real-world unpaired point cloud completion scenarios.

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Alignment

CollabLLM: From Passive Responders to Active Collaborators

Shirley Wu, Michel Galley, Baolin Peng, Hao Cheng, Gavin Li, Yao Dou, Weixin Cai, James Zou, Jure Leskovec, Jianfeng Gao

Large Language Models are typically trained with next-turn rewards, limiting their ability to optimize for long-term interaction. As a result, they often respond passively to ambiguous or open-ended user requests, failing to help users reach their ultimate intents and leading to inefficient conversations. To address these limitations, we introduce CollabLLM, a novel and general training framework that enhances multiturn human-LLM collaboration. Its key innovation is a collaborative simulation that estimates the long-term contribution of responsesusing Multiturn-aware Rewards. By reinforcement fine-tuning these rewards, CollabLLM goes beyond responding to user requests, and actively uncovers user intent and offers insightful suggestions—a key step towards more human-centered AI. We also devise a multiturn interaction benchmark with three challenging tasks such as document creation. CollabLLM significantly outperforms our baselines with averages of 18.5% higher task performance and 46.3% improved interactivity by LLM judges. Finally, we conduct a large user study with 201 judges, where CollabLLM increases user satisfaction by 17.6% and reduces user spent time by 10.4%.

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Applications

Generalization Principles for Inference over Text-Attributed Graphs  with Large Language Models

Haoyu Wang, Shikun Liu, Rongzhe Wei, Pan Li

Large language models (LLMs) have recently been introduced to graph learning, aiming to extend their zero-shot generalization success to tasks where labeled graph data is scarce. Among these applications, inference over text-attributed graphs (TAGs) presents unique challenges: existing methods struggle with LLMs’ limited context length for processing large node neighborhoods and the misalignment between node embeddings and the LLM token space. To address these issues, we establish two key principles for ensuring generalization and derive the framework LLM-BP accordingly: (1) **Unifying the attribute space with task-adaptive embeddings**, where we leverage LLM-based encoders and task-aware prompting to enhance generalization of the text attribute embeddings; (2) **Developing a generalizable graph information aggregation mechanism**, for which we adopt belief propagation with LLM-estimated parameters that adapt across graphs. Evaluations on 11 real-world TAG benchmarks demonstrate that LLM-BP significantly outperforms existing approaches, achieving 8.10\% improvement with task-conditional embeddings and an additional 1.71\% gain from adaptive aggregation. The code and task-adaptive embeddings are publicly available.

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Chemistry, Physics, and Earth Sciences

LLM-Augmented Chemical Synthesis and Design Decision Programs

Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has advanced single-step retrosynthetic modeling and subsequent route searches, these solutions remain restricted by the extensive combinatorial space of possible pathways. Concurrently, large language models (LLMs) have exhibited remarkable chemical knowledge, hinting at their potential to tackle complex decision-making tasks in chemistry. In this work, we explore whether LLMs can successfully navigate the highly constrained, multi-step retrosynthesis planning problem. We introduce an efficient scheme for encoding reaction pathways and present a new route-level search strategy, moving beyond the conventional step-by-step reactant prediction. Through comprehensive evaluations, we show that our LLM-augmented approach excels at retrosynthesis planning and extends naturally to the broader challenge of synthesizable molecular design.

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Convex

Geometric Algebra Planes: Convex Implicit Neural Volumes

Irmak Sivgin, Sara Fridovich-Keil, Gordon Wetzstein, Mert Pilanci

Volume parameterizations abound in recent literature, encompassing methods from classic voxel grids to implicit neural representations. While implicit representations offer impressive capacity and improved memory efficiency compared to voxel grids, they traditionally require training through nonconvex optimization, which can be slow and sensitive to initialization and hyperparameters. We introduce GA-Planes, a novel family of implicit neural volume representations inspired by Geometric Algebra that can be trained using convex optimization, addressing the limitations of nonconvex methods. GA-Planes models generalize many existing representations including any combination of features stored in tensor basis elements followed by a neural feature decoder, and can be adapted to convex or nonconvex training as needed for various inverse problems. In the 2D setting, we prove GA-Planes models are equivalent to a low-rank plus low-resolution matrix factorization that outperforms the classic low-rank plus sparse decomposition for fitting a natural image. In 3D, GA-Planes models exhibit competitive expressiveness, model size, and optimizability across tasks such as radiance field reconstruction, 3D segmentation, and video segmentation.

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Deep Learning

Can Transformers Reason Logically? A Study in SAT Solving

Leyan Pan, Vijay Ganesh, Jacob Abernethy, Chris Esposo, Wenke Lee

We formally study the logical reasoning capabilities of decoder-only Transformers in the context of the boolean satisfiability (SAT) problem. First, we prove by construction that decoder-only Transformers can decide 3-SAT, in a non-uniform model of computation, using backtracking and deduction via Chain-of-Thought (CoT).Second, we implement our construction as a PyTorch model with a tool (PARAT) that we designed to empirically demonstrate its correctness and investigate its properties.Third, rather than \textit{programming} a transformer to reason, we evaluate empirically whether it can be \textit{trained} to do so by learning directly from algorithmic traces (“reasoning paths”) from our theoretical construction. The trained models demonstrate strong out-of-distribution generalization on problem sizes seen during training but has limited length generalization, which is consistent with the implications of our theoretical result.

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LaCache: Ladder-Shaped KV Caching for Efficient Long-Context Modeling of Large Language Models

Dachuan Shi, Yonggan Fu, Xiangchi Yuan, Zhongzhi Yu, Haoran You, Sixu Li, Xin Dong, Jan Kautz, Pavlo Molchanov, Yingyan (Celine) Lin

Recent advancements in Large Language Models (LLMs) have spurred interest in numerous applications requiring robust long-range capabilities, essential for processing extensive input contexts and continuously generating extended outputs. As sequence lengths increase, the number of Key-Value (KV) pairs in LLMs escalates, creating a significant efficiency bottleneck.In this paper, we propose a new KV cache optimization paradigm called LaCache, a training-free method for efficient and accurate generative inference of LLMs. LaCache enables LLMs to simultaneously address both of the critical challenges in long-range modeling: robust long-range capabilities and continuous generation without running out-of-memory (OOM). Specifically, LaCache integrates two key innovations: (1) a ladder-shaped KV cache pattern that stores KV pairs not only sequentially (left-to-right within each layer) but also across layers (from shallow to deep), providing an extended span for capturing long-range dependencies under a fixed storage budget, thereby boosting long-range capabilities; and (2) an iterative compaction mechanism that progressively compresses older caches, freeing up space for new tokens within a fixed cache size. This token distance-based dynamic compression enables more effective continuous generation under constrained cache budgets.Experiments across various tasks, benchmarks, and LLM models consistently validate LaCache’s effectiveness in enhancing LLMs’ long-range capabilities. Our code is available at https://github.com/GATECH-EIC/LaCache.

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Deep RL

Deep Reinforcement Learning from Hierarchical Preference Design

Alexander Bukharin, Yixiao Li, Pengcheng He, Tuo Zhao

Reward design is a fundamental, yet challenging aspect of reinforcement learning (RL). Researchers typically utilize feedback signals from the environment to handcraft a reward function, but this process is not always effective due to the varying scale and intricate dependencies of the feedback signals. This paper shows by exploiting certain structures, one can ease the reward design process. Specifically, we propose a hierarchical reward design framework — HERON for scenarios: (I) The feedback signals naturally present hierarchy; (II) The reward is sparse, but with less important surrogate feedback to help policy learning. Both scenarios allow us to design a hierarchical decision tree induced by the importance ranking of the feedback signals to compare RL trajectories. With such preference data, we can then train a reward model for policy learning. We apply HERON to several RL applications, and we find that our framework can not only train high performing agents on a variety of difficult tasks, but also provide additional benefits such as improved sample efficiency and robustness.

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Efficient Online Reinforcement Learning for Diffusion Policy

Haitong Ma, Tianyi Chen, Kai Wang, Na Li, Bo Dai

Diffusion policies have achieved superior performance in imitation learning and offline reinforcement learning (RL) due to their rich expressiveness. However, the conventional diffusion training procedure requires samples from target distribution, which is impossible in online RL since we cannot sample from the optimal policy. Backpropagating policy gradient through the diffusion process incurs huge computational costs and instability, thus being expensive and not scalable. To enable efficient training of diffusion policies in online RL, we generalize the conventional denoising score matching by reweighting the loss function. The resulting Reweighted Score Matching (RSM) preserves the optimal solution and low computational cost of denoising score matching, while eliminating the need to sample from the target distribution and allowing learning to optimize value functions. We introduce two tractable reweighted loss functions to solve two commonly used policy optimization problems, policy mirror descent and max-entropy policy, resulting in two practical algorithms named Diffusion Policy Mirror Descent (DPMD) and Soft Diffusion Actor-Critic (SDAC). We conducted comprehensive comparisons on MuJoCo benchmarks. The empirical results show that the proposed algorithms outperform recent diffusion-policy online RLs on most tasks, and the DPMD improves more than 120% over soft actor-critic on Humanoid and Ant.

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Foundation Models

Primitive Vision: Improving Diagram Understanding in MLLMs

Shan Zhang, Aotian Chen, Yanpeng Sun, Jindong Gu, Yi-Yu Zheng, Piotr Koniusz, Kai Zou, Anton Hengel, Yuan Xue

Mathematical diagrams have a distinctive structure. Standard feature transforms designed for natural images (e.g., CLIP) fail to process them effectively, limiting their utility in multimodal large language models (MLLMs). Current efforts to improve MLLMs have primarily focused on scaling mathematical visual instruction datasets and strengthening LLM backbones, yet fine?grained visual recognition errors remain unaddressed. Our systematic evaluation on the visual grounding capabilities of state?of?the?art MLLMs highlights that fine?grained visual understanding remains a crucial bottleneck in visual mathematical reasoning (GPT-4o exhibits a 70% grounding error rate, and correcting these errors improves reasoning accuracy by 12%). We thus propose a novel approach featuring a geometrically?grounded vision encoder and a feature router that dynamically selects between hierarchical visual feature maps. Our model accurately recognizes visual primitives and generates precise visual prompts aligned with the language model’s reasoning needs. In experiments, PRIMITIVE-Qwen2.5-7B outperforms other 7B models by 12% on MathVerse and is on par with GPT-4V on MathVista. Our findings highlight the need for better fine?grained visual integration in MLLMs. Code is available at github.com/AI4Math-ShanZhang/SVE-Math.

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General Machine Learning

On the Power of Learning-Augmented Search Trees

Jingbang Chen, Xinyuan Cao, Alicia Stepin, Li Chen

We study learning-augmented binary search trees (BSTs) via Treaps with carefully designed priorities.The result is a simple search tree in which the depth of each item $x$ is determined by its predicted weight $w_x$.Specifically, each item $x$ is assigned a composite priority of $-\lfloor\log\log(1/w_x)\rfloor + U(0, 1)$ where $U(0, 1)$ is the uniform random variable. By choosing $w_x$ as the relative frequency of $x$, the resulting search trees achieve static optimality.This approach generalizes the recent learning-augmented BSTs [Lin-Luo-Woodruff ICML`22], which only work for Zipfian distributions, by extending them to arbitrary input distributions.Furthermore, we demonstrate that our method can be generalized to a B-Tree data structure using the B-Treap approach [Golovin ICALP’09]. Our search trees are also capable of leveraging localities in the access sequence through online self-reorganization, thereby achieving the working-set property. Additionally, they are robust to prediction errors and support dynamic operations, such as insertions, deletions, and prediction updates. We complement our analysis with an empirical study, demonstrating that our method outperforms prior work and classic data structures.

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Generative Models and Autoencoders

ConceptAttention: Diffusion Transformers Learn Highly Interpretable Features

Alec Helbling, Tuna Han Salih Meral, Benjamin Hoover, Pinar Yanardag, Polo Chau

Do the rich representations of multi-modal diffusion transformers (DiTs) exhibit unique properties that enhance their interpretability? We introduce ConceptAttention, a novel method that leverages the expressive power of DiT attention layers to generate high-quality saliency maps that precisely locate textual concepts within images. Without requiring additional training, ConceptAttention repurposes the parameters of DiT attention layers to produce highly contextualized *concept embeddings*, contributing the major discovery that performing linear projections in the output space of DiT attention layers yields significantly sharper saliency maps compared to commonly used cross-attention maps. ConceptAttention even achieves state-of-the-art performance on zero-shot image segmentation benchmarks, outperforming 15 other zero-shot interpretability methods on the ImageNet-Segmentation dataset. ConceptAttention works for popular image models and even seamlessly generalizes to video generation. Our work contributes the first evidence that the representations of multi-modal DiTs are highly transferable to vision tasks like segmentation.

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Diffuse Everything: Multimodal Diffusion Models on Arbitrary State Spaces

Kevin Rojas, Yuchen Zhu, Sichen Zhu, Felix Ye, Molei Tao

Diffusion models have demonstrated remarkable performance in generating unimodal data across various tasks, including image, video, and text generation. On the contrary, the joint generation of multimodal data through diffusion models is still in the early stages of exploration. Existing approaches heavily rely on external preprocessing protocols, such as tokenizers and variational autoencoders, to harmonize varied data representations into a unified, unimodal format. This process heavily demands the high accuracy of encoders and decoders, which can be problematic for applications with limited data. To lift this restriction, we propose a novel framework for building multimodal diffusion models on arbitrary state spaces, enabling native generation of coupled data across different modalities. By introducing an innovative decoupled noise schedule for each modality, we enable both unconditional and modality-conditioned generation within a single model simultaneously. We empirically validate our approach for text-image generation and mixed-type tabular data synthesis, demonstrating that it achieves competitive performance.

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Direct Discriminative Optimization: Your Likelihood-Based Visual Generative Model is Secretly a GAN Discriminator

Kaiwen Zheng, Yongxin Chen, Huayu Chen, Guande He, Ming-Yu Liu, Jun Zhu, Qinsheng Zhang

While likelihood-based generative models, particularly diffusion and autoregressive models, have achieved remarkable fidelity in visual generation, the maximum likelihood estimation (MLE) objective, which minimizes the forward KL divergence, inherently suffers from a mode-covering tendency that limits the generation quality under limited model capacity. In this work, we propose Direct Discriminative Optimization (DDO) as a unified framework that integrates likelihood-based generative training and GAN-type discrimination to bypass this fundamental constraint by exploiting reverse KL and self-generated negative signals. Our key insight is to parameterize a discriminator implicitly using the likelihood ratio between a learnable target model and a fixed reference model, drawing parallels with the philosophy of Direct Preference Optimization (DPO). Unlike GANs, this parameterization eliminates the need for joint training of generator and discriminator networks, allowing for direct, efficient, and effective finetuning of a well-trained model to its full potential beyond the limits of MLE. DDO can be performed iteratively in a self-play manner for progressive model refinement, with each round requiring less than 1\% of pretraining epochs. Our experiments demonstrate the effectiveness of DDO by significantly advancing the previous SOTA diffusion model EDM, reducing FID scores from 1.79/1.58/1.96 to new records of 1.30/0.97/1.26 on CIFAR-10/ImageNet-64/ImageNet 512$\times$512 datasets without any guidance mechanisms, and by consistently improving both guidance-free and CFG-enhanced FIDs of visual autoregressive models on ImageNet 256$\times$256.

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Learnings from Scaling Visual Tokenizers for Reconstruction and Generation

Philippe Hansen-Estruch, David Yan, Ching-Yao Chuang, Orr Zohar, Jialiang Wang, Tingbo Hou, Tao Xu, Sriram Vishwanath, Peter Vajda, Xinlei Chen

Visual tokenization via auto-encoding empowers state-of-the-art image and video generative models by compressing pixels into a latent space. However, questions remain about how auto-encoder design impacts reconstruction and downstream generative performance. This work explores scaling in auto-encoders for reconstruction and generation by replacing the convolutional backbone with an enhanced Vision Transformer for Tokenization (ViTok). We find scaling the auto-encoder bottleneck correlates with reconstruction but exhibits a nuanced relationship with generation. Separately, encoder scaling yields no gains, while decoder scaling improves reconstruction with minimal impact on generation. As a result, we determine that scaling the current paradigm of auto-encoders is not effective for improving generation performance. Coupled with Diffusion Transformers, ViTok achieves competitive image reconstruction and generation performance on 256p and 512p ImageNet-1K. In videos, ViTok achieves SOTA reconstruction and generation performance on 16-frame 128p UCF-101.

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Overcoming Spurious Solutions in Semi-Dual Neural Optimal Transport: A Smoothing Approach for Learning the Optimal Transport Plan

Jaemoo Choi, Jaewoong Choi, Dohyun Kwon

We address the convergence problem in learning the Optimal Transport (OT) map, where the OT Map refers to a map from one distribution to another while minimizing the transport cost. Semi-dual Neural OT, a widely used approach for learning OT Maps with neural networks, often generates spurious solutions that fail to transfer one distribution to another accurately. We identify a sufficient condition under which the max-min solution of Semi-dual Neural OT recovers the true OT Map. Moreover, to address cases when this sufficient condition is not satisfied, we propose a novel method, OTP, which learns both the OT Map and the Optimal Transport Plan, representing the optimal coupling between two distributions. Under sharp assumptions on the distributions, we prove that our model eliminates the spurious solution issue and correctly solves the OT problem. Our experiments show that the OTP model recovers the optimal transport map where existing methods fail and outperforms current OT-based models in image-to-image translation tasks. Notably, the OTP model can learn stochastic transport maps when deterministic OT Maps do not exist, such as one-to-many tasks like colorization.

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RocketKV: Accelerating Long-Context LLM Inference via Two-Stage KV Cache Compression

Payman Behnam, Yaosheng Fu, Ritchie Zhao, Po-An Tsai, Zhiding Yu, Alexey Tumanov

Transformer-based Large Language Models rely critically on the KV cache to efficiently handle extended contexts during the decode phase. Yet, the size of the KV cache grows proportionally with the input length, burdening both memory bandwidth and capacity as decoding progresses. To address this challenge, we present RocketKV, a training-free KV cache compression strategy containing two consecutive stages. In the first stage, it performs coarse-grain permanent KV cache eviction on the input sequence tokens. In the second stage, it adopts a hybrid sparse attention method to conduct fine-grain top-k sparse attention, approximating the attention scores by leveraging both head and sequence dimensionality reductions. We show that RocketKV provides a compression ratio of up to 400×, end-to-end speedup of up to 3.7× as well as peak memory reduction of up to 32.6% in the decode phase on an NVIDIA A100 GPU compared to the full KV cache baseline, while achieving negligible accuracy loss on a variety of long-context tasks. We also propose a variant of RocketKV for multi-turn scenarios, which consistently outperforms other existing methods and achieves accuracy nearly on par with an oracle top-k attention scheme.

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Graph Neural Networks

A Dynamical Systems-Inspired Pruning Strategy for Addressing Oversmoothing in Graph Attention Networks

Biswadeep Chakraborty, Harshit Kumar, Saibal Mukhopadhyay

Graph Neural Networks (GNNs) face a critical limitation known as oversmoothing, where increasing network depth leads to homogenized node representations, severely compromising their expressiveness. We present a novel dynamical systems perspective on this challenge, revealing oversmoothing as an emergent property of GNNs’ convergence to low-dimensional attractor states. Based on this insight, we introduce **DYNAMO-GAT**, which combines noise-driven covariance analysis with Anti-Hebbian learning to dynamically prune attention weights, effectively preserving distinct attractor states. We provide theoretical guarantees for DYNAMO-GAT’s effectiveness and demonstrate its superior performance on benchmark datasets, consistently outperforming existing methods while requiring fewer computational resources. This work establishes a fundamental connection between dynamical systems theory and GNN behavior, providing both theoretical insights and practical solutions for deep graph learning.

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Health / Medicine

EARTH: Epidemiology-Aware Neural ODE with Continuous Disease Transmission Graph

Guancheng Wan, Zewen Liu, Xiaojun Shan, Max Lau, B. Aditya Prakash, Wei Jin

Effective epidemic forecasting is critical for public health strategies and efficient medical resource allocation, especially in the face of rapidly spreading infectious diseases. However, existing deep-learning methods often overlook the dynamic nature of epidemics and fail to account for the specific mechanisms of disease transmission. In response to these challenges, we introduce an innovative end-to-end framework called Epidemiology-Aware Neural ODE with Continuous Disease Transmission Graph (EARTH) in this paper. To learn continuous and regional disease transmission patterns, we first propose EANO, which seamlessly integrates the neural ODE approach with the epidemic mechanism, considering the complex spatial spread process during epidemic evolution. Additionally, we introduce GLTG to model global infection trends and leverage these signals to guide local transmission dynamically. To accommodate both the global coherence of epidemic trends and the local nuances of epidemic transmission patterns, we build a cross-attention approach to fuse the most meaningful information for forecasting. Through the smooth synergy of both components, EARTH offers a more robust and flexible approach to understanding and predicting the spread of infectious diseases. Extensive experiments show EARTH superior performance in forecasting real-world epidemics compared to state-of-the-art methods. The code is available at https://github.com/GuanchengWan/EARTH.

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Kernel methods

Statistical and Computational Guarantees of Kernel Max-Sliced Wasserstein Distances

Jie Wang, March Boedihardjo, Yao Xie

Optimal transport has been very successful for various machine learning tasks; however, it is known to suffer from the curse of dimensionality. Hence, dimensionality reduction is desirable when applied to high-dimensional data with low-dimensional structures. The kernel max-sliced (KMS) Wasserstein distance is developed for this purpose by finding an optimal nonlinear mapping that reduces data into $1$ dimension before computing the Wasserstein distance. However, its theoretical properties have not yet been fully developed. In this paper, we provide sharp finite-sample guarantees under milder technical assumptions compared with state-of-the-art for the KMS $p$-Wasserstein distance between two empirical distributions with $n$ samples for general $p\in[1,\infty)$. Algorithm-wise, we show that computing the KMS $2$-Wasserstein distance is NP-hard, and then we further propose a semidefinite relaxation (SDR) formulation (which can be solved efficiently in polynomial time) and provide a relaxation gap for the obtained solution. We provide numerical examples to demonstrate the good performance of our scheme for high-dimensional two-sample testing.

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Large Language Models

CommVQ: Commutative Vector Quantization for KV Cache Compression

Junyan Li, Yang Zhang, Muhammad Yusuf Hassan, Talha Chafekar, Tianle Cai, Zhile Ren, Pengsheng Guo, Foroozan Karimzadeh, Colorado Reed, Chong Wang, Chuang Gan

Large Language Models (LLMs) are increasingly used in applications requiring long context lengths, but the key-value (KV) cache often becomes a memory bottleneck on GPUs as context grows. To address this, we propose Commutative Vector Quantization (CommVQ) to significantly reduce memory usage for long-context LLM inference. We first introduce additive quantization with a lightweight encoder and codebook to compress the KV cache, which can be decoded via simple matrix multiplication. To further reduce computational costs during decoding, we design the codebook to be commutative with Rotary Position Embedding (RoPE) and train it using an Expectation-Maximization (EM) algorithm. This enables efficient integration of decoding into the self-attention mechanism. Our approach achieves high accuracy with additive quantization and low overhead via the RoPE-commutative codebook. Experiments on long-context benchmarks and GSM8K show that our method reduces FP16 KV cache size by 87.5% with 2-bit quantization, while outperforming state-of-the-art KV cache quantization methods. Notably, it enables 1-bit KV cache quantization with minimal accuracy loss, allowing a LLaMA-3.1 8B model to run with a 128K context length on a single RTX 4090 GPU. The source code is available at: https://github.com/UMass-Embodied-AGI/CommVQ.

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Discriminative Finetuning of Generative Large Language Models without Reward Models and Human Preference Data

Siqi Guo, Ilgee Hong, Vicente Balmaseda, Changlong Yu, Liang Qiu, Xin Liu, Haoming Jiang, Tuo Zhao, Tianbao Yang

Supervised fine-tuning (SFT) has become a crucial step for aligning pretrained large language models (LLMs) using supervised datasets of input-output pairs. However, despite being supervised, SFT is inherently limited by its generative training objective. To address its limitations, the existing common strategy is to follow SFT with a separate phase of preference optimization (PO), which relies on either human-labeled preference data or a strong reward model to guide the learning process. In this paper, we address the limitations of SFT by exploring one of the most successful techniques in conventional supervised learning: discriminative learning. We introduce **Discriminative Fine-Tuning (DFT)**, an improved variant of SFT, which mitigates the burden of collecting human-labeled preference data or training strong reward models. Unlike SFT that employs a generative approach and overlooks negative data, DFT adopts a **discriminative paradigm** that increases the probability of positive answers while suppressing potentially negative ones, aiming for **data prediction** instead of token prediction. Our contributions include: (i) a discriminative probabilistic framework for fine-tuning LLMs by explicitly modeling the discriminative likelihood of an answer among all possible outputs given an input; (ii) efficient algorithms to optimize this discriminative likelihood; and (iii) extensive experiments demonstrating DFT’s effectiveness, achieving performance better than SFT and comparable to if not better than SFT?PO. The code can be found at https://github.com/Optimization-AI/DFT.

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Diving into Self-Evolving Training for Multimodal Reasoning

Wei Liu, Junlong Li, Xiwen Zhang, Fan Zhou, Yu Cheng, Junxian He

Self-evolving training—where models iteratively learn from their own outputs—has emerged as a key approach for complex reasoning tasks, addressing the scarcity of high-quality chain-of-thought data. However, its effectiveness in multimodal reasoning, a domain more intricate than text-only reasoning, remains underexplored, and the understanding of critical factors in this training paradigm remains limited. Furthermore, a central challenge for this training method is performance saturation, which impedes further improvements and scalability. Inspired by reinforcement learning (RL), in this paper, we reframe self-evolving training for multimodal reasoning through the lens of RL, identifying three pivotal factors: $\textit{Training Method}$, $\textit{Reward Model}$, and $\textit{Prompt Variation}$. Through systematic analysis, we establish relatively optimal design principles that significantly enhance multimodal reasoning capabilities. Moreover, delving deeper into training dynamics, we uncover the roots of saturation and propose a new automatic balancing mechanism to mitigate this limitation. Building on these insights, we propose M-STaR (**M**ultimodal **S**elf-evolving **T**r**a**ining for **R**easoning), a framework that achieves consistent performance gains across models of varying sizes and diverse benchmarks. All resources will be made publicly available.

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Mechanistic Unlearning: Robust Knowledge Unlearning and Editing via Mechanistic Localization

Phillip Guo, Aaquib Syed, Abhay Sheshadri, Aidan Ewart, Gintare Karolina Dziugaite

Methods for knowledge editing and unlearning in large language models seek to edit or remove undesirable knowledge or capabilities without compromising general language modeling performance. This work investigates how mechanistic interpretability—which, in part, aims to identify model components (circuits) associated to specific interpretable mechanisms that make up a model capability—can improve the precision and effectiveness of editing and unlearning. We find a stark difference in unlearning and edit robustness when training components localized by different methods. We highlight an important distinction between methods that localize components based primarily on preserving outputs, and those finding high level mechanisms with predictable intermediate states. In particular, localizing edits/unlearning to components associated with the *lookup-table mechanism* for factual recall 1) leads to more robust edits/unlearning across different input/output formats, and 2) resists attempts to relearn the unwanted information, while also reducing unintended side effects compared to baselines, on both a sports facts dataset and the CounterFact dataset across multiple models.We also find that certain localized edits disrupt the latent knowledge in the model more than any other baselines, making unlearning more robust to various attacks.

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Rethinking Addressing in Language Models via Contextualized Equivariant Positional Encoding

Jiajun Zhu, Peihao Wang, Ruisi Cai, Jason Lee, Pan Li, Zhangyang “Atlas” Wang

Transformers rely on both content-based and position-based addressing mechanisms to make predictions, but existing positional encoding techniques often diminish the effectiveness of position-based addressing. Many current methods enforce rigid patterns in attention maps, limiting the ability to model long-range dependencies and adapt to diverse tasks. Additionally, most positional encodings are learned as general biases, lacking the specialization required for different instances within a dataset. To address this, we propose con**T**extualized equivari**A**nt **P**osition **E**ncoding (**TAPE**), a novel framework that enhances positional embeddings by incorporating sequence content across layers. TAPE introduces dynamic, context-aware positional encodings, overcoming the constraints of traditional fixed patterns. By enforcing permutation and orthogonal equivariance, TAPE ensures the stability of positional encodings during updates, improving robustness and adaptability. Our method can be easily integrated into pre-trained transformers, offering parameter-efficient fine-tuning with minimal overhead. Extensive experiments show that TAPE achieves superior performance in language modeling, arithmetic reasoning, and long-context retrieval tasks compared to existing positional embedding techniques.

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Scaling Sparse Feature Circuits For Studying In-Context Learning

Dmitrii Kharlapenko, Stepan Shabalin, Arthur Conmy, Neel Nanda

Sparse autoencoders (SAEs) are a popular tool for interpreting large language model activations, but their utility in addressing open questions in interpretability remains unclear. In this work, we demonstrate their effectiveness by using SAEsto deepen our understanding of the mechanism behind in-context learning (ICL). We identify abstract SAE features that (i) encode the model’s knowledge of which task to execute and (ii) whose latent vectors causally induce the task zero-shot.This aligns with prior work showing that ICL is mediated by task vectors. We further demonstrate that these task vectors are well approximated by a sparse sum of SAE latents, including these task-execution features. To explore the ICL mechanism, we scale the sparse feature circuits methodology of Marks et al. (2024) to the Gemma 1 2B model for the more complex task of ICL. Through circuit finding, we discover task-detecting features with corresponding SAE latents that activate earlier in the prompt, that detect when tasks have been performed. They are causally linked with task-execution features through the attention and MLP sublayers.

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Monte Carlo and Sampling Methods

Annealing Flow Generative Models Towards Sampling High-Dimensional and Multi-Modal Distributions

Dongze Wu, Yao Xie

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a method built on Continuous Normalizing Flows (CNFs) for sampling from high-dimensional and multi-modal distributions. AF is trained with a dynamic Optimal Transport (OT) objective incorporating Wasserstein regularization, and guided by annealing procedures, facilitating effective exploration of modes in high-dimensional spaces. Compared to recent NF methods, AF significantly improves training efficiency and stability, with minimal reliance on MC assistance. We demonstrate the superior performance of AF compared to state-of-the-art methods through extensive experiments on various challenging distributions and real-world datasets, particularly in high-dimensional and multi-modal settings. We also highlight AF’s potential for sampling the least favorable distributions.

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Neuroscience, Cognitive Science

Inverse Reinforcement Learning with Switching Rewards and History Dependency for Characterizing Animal Behaviors

Jingyang Ke, Feiyang Wu, Jiyi Wang, Jeffrey Markowitz, Anqi Wu

Traditional approaches to studying decision-making in neuroscience focus on simplified behavioral tasks where animals perform repetitive, stereotyped actions to receive explicit rewards. While informative, these methods constrain our understanding of decision-making to short timescale behaviors driven by explicit goals. In natural environments, animals exhibit more complex, long-term behaviors driven by intrinsic motivations that are often unobservable. Recent works in time-varying inverse reinforcement learning (IRL) aim to capture shifting motivations in long-term, freely moving behaviors. However, a crucial challenge remains: animals make decisions based on their history, not just their current state. To address this, we introduce SWIRL (SWitching IRL), a novel framework that extends traditional IRL by incorporating time-varying, history-dependent reward functions. SWIRL models long behavioral sequences as transitions between short-term decision-making processes, each governed by a unique reward function. SWIRL incorporates biologically plausible history dependency to capture how past decisions and environmental contexts shape behavior, offering a more accurate description of animal decision-making. We apply SWIRL to simulated and real-world animal behavior datasets and show that it outperforms models lacking history dependency, both quantitatively and qualitatively. This work presents the first IRL model to incorporate history-dependent policies and rewards to advance our understanding of complex, naturalistic decision-making in animals.

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Learning Time-Varying Multi-Region Brain Communications  via Scalable Markovian Gaussian Processes

Weihan Li, Yule Wang, Chengrui Li, Anqi Wu

Understanding and constructing brain communications that capture dynamic communications across multiple regions is fundamental to modern system neuroscience, yet current methods struggle to find time-varying region-level communications or scale to large neural datasets with long recording durations. We present a novel framework using Markovian Gaussian Processes to learn brain communications with time-varying temporal delays from multi-region neural recordings, named Adaptive Delay Model (ADM). Our method combines Gaussian Processes with State Space Models and employs parallel scan inference algorithms, enabling efficient scaling to large datasets while identifying concurrent  communication patterns that evolve over time. This time-varying approach captures how brain region interactions shift dynamically during cognitive processes. Validated on synthetic and multi-region neural recordings datasets, our approach discovers both the directionality and temporal dynamics of neural communication. This work advances our understanding of distributed neural computation and provides a scalable tool for analyzing dynamic brain networks. Code is available at https://github.com/BRAINML-GT/Adaptive-Delay-Model.

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Neural Encoding and Decoding at Scale

Yizi Zhang, Yanchen Wang, Mehdi Azabou, Alexandre Andre, Zixuan Wang, Hanrui Lyu,  International Brain Laboratory, Eva Dyer, Department of Statistics Liam Paninski, Cole Hurwitz

Recent work has demonstrated that large-scale, multi-animal models are powerful tools for characterizing the relationship between neural activity and behavior. Current large-scale approaches, however, focus exclusively on either predicting neural activity from behavior (encoding) or predicting behavior from neural activity (decoding), limiting their ability to capture the bidirectional relationship between neural activity and behavior. To bridge this gap, we introduce a multimodal, multi-task model that enables simultaneous Neural Encoding and Decoding at Scale (NEDS). Central to our approach is a novel multi-task-masking strategy, which alternates between neural, behavioral, within-modality, and cross-modality masking. We pretrain our method on the International Brain Laboratory (IBL) repeated site dataset, which includes recordings from 83 animals performing the visual decision-making task. In comparison to other large-scale modeling approaches, we demonstrate that NEDS achieves state-of-the-art performance for both encoding and decoding when pretrained on multi-animal data and then fine-tuned on new animals. Surprisingly, NEDS’s learned embeddings exhibit emergent properties: even without explicit training, they are highly predictive of the brain regions in each recording. Altogether, our approach is a step towards a foundation model of the brain that enables seamless translation between neural activity and behavior.

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Online

Novelty Detection in Reinforcement Learning with World Models

Geigh Zollicoffer, Kenneth Eaton, Jonathan Balloch, Julia Kim, Wei Zhou, Robert Wright, Mark Riedl

Reinforcement learning (RL) using world models has found significant recent successes.However, when a sudden change to world mechanics or properties occurs then agent performance and reliability can dramatically decline.We refer to the sudden change in visual properties or state transitions as novelties.Implementing novelty detection within generated world model frameworks is a crucialtask for protecting the agent when deployed. In this paper, we propose straightforward bounding approaches to incorporate novelty detection into world model RL agents by utilizing the misalignment of the world model’s hallucinated states and the true observed states as a novelty score.  We provideeffective approaches to detecting novelties in a distribution of transitions learned by an agent ina world model. Finally, we show the advantage ofour work in a novel environment compared to traditional machine learning novelty detection methods as well as currently accepted RL-focused novelty detection algorithms.

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Online Learning and Bandits

On Mitigating Affinity Bias through Bandits with Evolving Biased Feedback

Matthew Faw, Constantine Caramanis, Jessica Hoffmann

Unconscious bias has been shown to influence how we assess our peers, with consequences for hiring, promotions and admissions. In this work, we focus on affinity bias, the component of unconscious bias which leads us to prefer people who are similar to us, despite no deliberate intention of favoritism. In a world where the people hired today become part of the hiring committee of tomorrow, we are particularly interested in understanding (and mitigating) how affinity bias affects this feedback loop. This problem has two distinctive features: 1) we only observe the _biased value_ of a candidate, but we want to optimize with respect to their _real value_ 2) the bias towards a candidate with a specific set of traits depends on the _fraction_ of people in the hiring committee with the same set of traits. We introduce a new bandits variant that exhibits those two features, which we call affinity bandits. Unsurprisingly, classical algorithms such as UCB often fail to identify the best arm in this setting. We prove a new instance-dependent regret lower bound, which is larger than that in the standard bandit setting by a multiplicative function of $K$. Since we  treat rewards that are _time-varying_ and _dependent on the policy’s past actions_, deriving this lower bound requires developing proof techniques beyond the standard bandit techniques. Finally, we design an elimination-style algorithm which nearly matches this regret, despite never observing the real rewards.

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Online Learning, Active Learning and Bandits

Improved and Oracle-Efficient Online $\ell_1$-Multicalibration

Rohan Ghuge, Vidya Muthukumar, Sahil Singla

We study *online multicalibration*, a framework for ensuring calibrated predictions across multiple groups in adversarial settings, across $T$ rounds. Although online calibration is typically studied in the $\ell_1$ norm, prior approaches to online multicalibration have taken the indirect approach of obtaining rates in other norms (such as $\ell_2$ and $\ell_{\infty}$) and then transferred these guarantees to $\ell_1$  at additional loss. In contrast, we propose a direct method that achieves improved  and oracle-efficient rates of $\widetilde{\mathcal{O}}(T^{-1/3})$ and $\widetilde{\mathcal{O}}(T^{-1/4})$ respectively, for online $\ell_1$-multicalibration. Our key insight is a novel reduction of online $\ell_1$-multicalibration to an online learning problem with product-based rewards, which we refer to as *online linear-product optimization* ($\mathtt{OLPO}$). To obtain the improved rate of $\widetilde{\mathcal{O}}(T^{-1/3})$, we introduce a linearization of $\mathtt{OLPO}$ and design a no-regret algorithm for this linearized problem. Although this method guarantees the desired sublinear rate (nearly matching the best rate for online calibration), it is computationally expensive when the group family $\mathcal{H}$ is large or infinite, since it enumerates all possible groups. To address scalability, we propose a second approach to $\mathtt{OLPO}$  that makes only a polynomial number of calls to an offline optimization (*multicalibration evaluation*) oracle, resulting in *oracle-efficient* online $\ell_1$-multicalibration with a corresponding rate of $\widetilde{\mathcal{O}}(T^{-1/4})$. Our framework also extends to certain infinite families of groups (e.g., all linear functions on the context space) by exploiting a $1$-Lipschitz property of the $\ell_1$-multicalibration error with respect to $\mathcal{H}$.

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Optimization

Fast Tensor Completion via Approximate Richardson Iteration

Mehrdad Ghadiri, Matthew Fahrbach, Yunbum Kook, Ali Jadbabaie

We study tensor completion (TC) through the lens of low-rank tensor decomposition (TD). Many TD algorithms use fast alternating minimization methods to solve _highly structured_ linear regression problems at each step (e.g., for CP, Tucker, and tensor-train decompositions). However, such algebraic structure is often lost in TC regression problems, making direct extensions unclear.  This work proposes a novel _lifting_ method for approximately solving TC regression problems using structured TD regression algorithms as blackbox subroutines, enabling sublinear-time methods. We analyze the convergence rate of our approximate Richardson iteration-based algorithm, and our empirical study shows that it can be 100x faster than direct methods for CP completion on real-world tensors.

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Planning

Navigating the Social Welfare Frontier: Portfolios for Multi-objective Reinforcement Learning

Cheol Kim, Jai Moondra, Shresth Verma, Madeleine Pollack, Lingkai Kong, Milind Tambe, Swati Gupta

In many real-world applications of Reinforcement Learning (RL), deployed policies have varied impacts on different stakeholders, creating challenges in reaching consensus on how to effectively aggregate their preferences. Generalized $p$-means form a widely used class of social welfare functions for this purpose, with broad applications in fair resource allocation, AI alignment, and decision-making. This class includes well-known welfare functions such as Egalitarian, Nash, and Utilitarian welfare. However, selecting the appropriate social welfare function is challenging for decision-makers, as the structure and outcomes of optimal policies can be highly sensitive to the choice of $p$. To address this challenge, we study the concept of an $\alpha$-approximate portfolio in RL, a set of policies that are approximately optimal across the family of generalized $p$-means for all $p \in [-\infty, 1]$. We propose algorithms to compute such portfolios and provide theoretical guarantees on the trade-offs among approximation factor, portfolio size, and computational efficiency. Experimental results on synthetic and real-world datasets demonstrate the effectiveness of our approach in summarizing the policy space induced by varying $p$ values, empowering decision-makers to navigate this landscape more effectively.

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Privacy

Underestimated Privacy Risks for Minority Populations in Large Language Model Unlearning

Rongzhe Wei, Mufei Li, Mohsen Ghassemi, Eleonora Kreacic, Yifan Li, Xiang Yue, Bo Li, Vamsi Potluru, Pan Li, Eli Chien

Large Language Models (LLMs) embed sensitive, human-generated data, prompting the need for unlearning methods. Although certified unlearning offers strong privacy guarantees, its restrictive assumptions make it unsuitable for LLMs, giving rise to various heuristic approaches typically assessed through empirical evaluations. These standard evaluations randomly select data for removal, apply unlearning techniques, and use membership inference attacks (MIAs) to compare unlearned models against models retrained without the removed data. However, to ensure robust privacy protections for every data point, it is essential to account for scenarios in which certain data subsets face elevated risks. Prior research suggests that outliers, particularly including data tied to minority groups, often exhibit higher memorization propensity which indicates they may be more difficult to unlearn. Building on these insights, we introduce a complementary, minority-aware evaluation framework to highlight blind spots in existing frameworks. We substantiate our findings with carefully designed experiments, using canaries with personally identifiable information (PII) to represent these minority subsets and demonstrate that they suffer at least 20\% higher privacy leakage across various unlearning methods, MIAs, datasets, and LLM scales. Our proposed minority-aware evaluation framework marks an essential step toward more equitable and comprehensive assessments of LLM unlearning efficacy.

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XAttnMark: Learning Robust Audio Watermarking with Cross-Attention

Yixin Liu, Lie Lu, Jihui Jin, Lichao Sun, Andrea Fanelli

The rapid proliferation of generative audio synthesis and editing technologies has raised significant concerns about copyright infringement, data provenance, and the spread of misinformation through deepfake audio. Watermarking offers a proactive solution by embedding imperceptible, identifiable, and traceable marks into audio content. While recent neural network-based watermarking methods like WavMark and AudioSeal have improved robustness and quality, they struggle to achieve both robust detection and accurate attribution simultaneously. This paper introduces the Cross-Attention Robust Audio Watermark (XAttnMark), which bridges this gap by leveraging partial parameter sharing between the generator and the detector, a cross-attention mechanism for efficient message retrieval, and a temporal conditioning module for improved message distribution. Additionally, we propose a psychoacoustic-aligned temporal-frequency masking loss that captures fine-grained auditory masking effects, enhancing watermark imperceptibility. Our approach achieves state-of-the-art performance in both detection and attribution, demonstrating superior robustness against a wide range of audio transformations, including challenging generative editing with strong editing strength. This work represents a significant step forward in protecting intellectual property and ensuring the authenticity of audio content in the era of generative AI.

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Reinforcement Learning and Planning

Incentivize without Bonus: Provably Efficient Model-based Online Multi-agent RL for Markov Games

Tong Yang, Bo Dai, Lin Xiao, Yuejie Chi

Multi-agent reinforcement learning (MARL) lies at the heart of a plethora of applications involving the interaction of a group of agents in a shared unknown environment. A prominent framework for studying MARL is Markov games, with the goal of finding various notions of equilibria in a sample-efficient manner, such as the Nash equilibrium (NE) and the coarse correlated equilibrium (CCE). However, existing sample-efficient approaches either require tailored uncertainty estimation under function approximation, or careful coordination of the players. In this paper, we propose a novel model-based algorithm, called VMG, that incentivizes exploration via biasing the empiricalestimate of the model parameters towards those with a higher collective best-response values of all the players when fixing the other players’ policies, thus encouraging the policy to deviate from its current equilibrium for more exploration. VMG is oblivious to different forms of function approximation, and permits simultaneous and uncoupled policy updates of all players. Theoretically, we also establish that VMG achieves a near-optimal regret for finding both the NEs of two-player zero-sum Markov games and CCEs of multi-player general-sum Markov games under linear function approximation in an online environment, which nearly match their counterparts with sophisticated uncertainty quantification.

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Robotics

ELEMENTAL: Interactive Learning from Demonstrations and Vision-Language Models for Reward Design in Robotics

Letian Chen, Nina Moorman, Matthew Gombolay

Reinforcement learning (RL) has demonstrated compelling performance in robotic tasks, but its success often hinges on the design of complex, ad hoc reward functions. Researchers have explored how Large Language Models (LLMs) could enable non-expert users to specify reward functions more easily. However, LLMs struggle to balance the importance of different features, generalize poorly to out-of-distribution robotic tasks, and cannot represent the problem properly with only text-based descriptions. To address these challenges, we propose ELEMENTAL (intEractive LEarning froM dEmoNstraTion And Language), a novel framework that combines natural language guidance with visual user demonstrations to align robot behavior with user intentions better. By incorporating visual inputs, ELEMENTAL overcomes the limitations of text-only task specifications, while leveraging inverse reinforcement learning (IRL) to balance feature weights and match the demonstrated behaviors optimally. ELEMENTAL also introduces an iterative feedback-loop through self-reflection to improve feature, reward, and policy learning. Our experiment results demonstrate that ELEMENTAL outperforms prior work by 42.3% on task success, and achieves 41.3% better generalization in out-of-distribution tasks, highlighting its robustness in LfD.

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Robustness

SGD Jittering: A Training Strategy for Robust and Accurate Model-Based Architectures

Peimeng Guan, Mark Davenport

Inverse problems aim to reconstruct unseen data from corrupted or perturbed measurements. While most work focuses on improving reconstruction quality, generalization accuracy and robustness are equally important, especially for safety-critical applications. Model-based architectures (MBAs), such as loop unrolling methods, are considered more interpretable and achieve better reconstructions. Empirical evidence suggests that MBAs are more robust to perturbations than black-box solvers, but the accuracy-robustness tradeoff in MBAs remains underexplored. In this work, we propose a simple yet effective training scheme for MBAs, called SGD jittering, which injects noise iteration-wise during reconstruction. We theoretically demonstrate that SGD jittering not only generalizes better than the standard mean squared error training but is also more robust to average-case attacks. We validate SGD jittering using denoising toy examples, seismic deconvolution, and single-coil MRI reconstruction. Both SGD jittering and its SPGD extension yield cleaner reconstructions for out-of-distribution data and demonstrates enhanced robustness against adversarial attacks.

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Safety

Antidote: Post-fine-tuning Safety Alignment for Large Language Models against Harmful Fine-tuning Attack

Tiansheng Huang, Gautam Bhattacharya, Pratik Joshi, Joshua Kimball, Ling Liu

Safety aligned Large Language Models (LLMs) are vulnerable to harmful fine-tuning attacks — a few harmful data mixed in the fine-tuning dataset can break the LLMs’s safety alignment. While several defenses have been proposed, our evaluation shows that existing defenses fail \textit{when some specific training hyper-parameters are chosen} — a large learning rate or a large number of training epochs in the fine-tuning stage can easily invalidate the defense. To this end,  we propose Antidote, a post-fine-tuning stage solution, which remains \textbf{\textit{agnostic to the training hyper-parameters in the fine-tuning stage}}. Antidote relies on the philosophy that by removing the harmful parameters, the harmful model can be recovered from the harmful behaviors, regardless of how those harmful parameters are formed in the fine-tuning stage. With this philosophy, we introduce a one-shot pruning stage after harmful fine-tuning to remove the harmful weights that are responsible for the generation of harmful content. Despite its embarrassing simplicity, empirical results show that Antidote can reduce harmful score while maintaining accuracy on downstream tasks.

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Security

Topological Signatures of Adversaries in Multimodal Alignments

Minh Vu, Geigh Zollicoffer, Huy Mai, Ben Nebgen, Boian S Alexandrov, Manish Bhattarai

Multimodal Machine Learning systems, particularly those aligning text and image data like CLIP/BLIP models, have become increasingly prevalent, yet remain susceptible to adversarial attacks. While substantial research has addressed adversarial robustness in unimodal contexts, defense strategies for multimodal systems are underexplored. This work investigates the topological signatures that arise between image and text embeddings and shows how adversarial attacks disrupt their alignment, introducing distinctive signatures. We specifically leverage persistent homology and introduce two novel Topological-Contrastive losses based on Total Persistence and Multi-scale kernel methods to analyze the topological signatures introduced by adversarial perturbations. We observe a pattern of monotonic changes in the proposed topological losses emerging in a wide range of attacks on image-text alignments, as more adversarial samples are introduced in the data. By designing an algorithm to back-propagate these signatures to input samples, we are able to integrate these signatures into Maximum Mean Discrepancy tests, creating a novel class of tests that leverage topological signatures for better adversarial detection.

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Sequential Models, Time series

In-Context Fine-Tuning for Time-Series Foundation Models

Matthew Faw, Rajat Sen, Yichen Zhou, Abhimanyu Das

Motivated by the recent success of time-series foundation models for zero-shot forecasting, we present a methodology for _in-context fine-tuning_ of a time-series foundation model. In particular, we design a pretrained foundation model that can be prompted (at inference time) with multiple time-series examples, in order to forecast a target time-series into the future. Our foundation model is specifically trained to utilize examples from multiple related time-series in its context window (in addition to the history of the target time-series) to help it adapt to the specific distribution of the target domain at inference time.  We show that such a foundation model that uses in-context examples at inference time can obtain much better performance on popular forecasting benchmarks compared to supervised deep learning methods, statistical models, and other time series foundation models.  Interestingly, our in-context fine-tuning approach even matches the performance of a foundation model that is explicitly fine-tuned on the target domain.

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Linear Transformers as VAR Models:  Aligning Autoregressive Attention Mechanisms with Autoregressive Forecasting

Jiecheng Lu, Shihao Yang

Autoregressive attention-based time series forecasting (TSF) has drawn increasing interest, with mechanisms like linear attention often outperforming vanilla attention. However, deeper Transformer architectures frequently misalign with autoregressive objectives, obscuring the underlying VAR structure embedded within linear attention and hindering their ability to capture the data generative processes in TSF. In this work, we first show that a single linear attention layer can be interpreted as a dynamic vector autoregressive (VAR) structure. We then explain that existing multi-layer Transformers have structural mismatches with the autoregressive forecasting objective, which impair interpretability and generalization ability. To address this, we show that by rearranging the MLP, attention, and input-output flow, multi-layer linear attention can also be aligned as a VAR model. Then, we propose Structural Aligned Mixture of VAR (SAMoVAR), a linear Transformer variant that integrates interpretable dynamic VAR weights for multivariate TSF. By aligning the Transformer architecture with autoregressive objectives, SAMoVAR delivers improved performance, interpretability, and computational efficiency, comparing to SOTA TSF models.

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WAVE: Weighted Autoregressive Varying Gate for Time Series Forecasting

Jiecheng Lu, Xu Han, Yan Sun, Shihao Yang

We propose a Weighted Autoregressive Varying gatE (WAVE) attention mechanism equipped with both Autoregressive (AR) and Moving-average (MA) components. It can adapt to various attention mechanisms, enhancing and decoupling their ability to capture long-range and local temporal patterns in time series data. In this paper, we first demonstrate that, for the time series forecasting (TSF) task, the previously overlooked decoder-only autoregressive Transformer model can achieve results comparable to the best baselines when appropriate tokenization and training methods are applied. Moreover, inspired by the ARMA model from statistics and recent advances in linear attention, we introduce the full ARMA structure into existing autoregressive attention mechanisms. By using an indirect MA weight generation method, we incorporate the MA term while maintaining the time complexity and parameter size of the underlying efficient attention models. We further explore how indirect parameter generation can produce implicit MA weights that align with the modeling requirements for local temporal impacts. Experimental results show that WAVE attention that incorporates the ARMA structure consistently improves the performance of various AR attentions on TSF tasks, achieving state-of-the-art results.