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Optimization · Learning for Optimization

Dorian Guyot, Alexandra Lassota

We consider online scheduling with class constraints. That is, we are given $m$ machines, each with $k$ class slots. Upon receiving a job $j$ with class $c_j$, an algorithm needs to allocate $j$ on some machine $i$. The goal is to minimize the makespan while not assigning more than $k$ different classes onto each machine.While the offline case is well understood and even (E)PTAS results are known [Jansen, Lassota, Maack SPAA'20, Chen Jansen Luo Zhang COCOA'16], the online case admits strong impossibility results in classical competitive analysis [Epstein, Lassota, Levin, Maack, Rohwedder STACS'22].We overcome these daunting results by investigating the problem in a learning-augmented setting where an algorithm can access possibly erroneous predictions. We present new algorithms with competitive ratios independent of $m$ and tight lower bounds for several classical and problem-specific prediction models. We thereby give a structured overview of what additional information helps in the design of better scheduling algorithms.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Leonardo Iurada, Marco Ciccone, Tatiana Tommasi

Task arithmetic has emerged as a promising approach for editing models by representing task-specific knowledge as composable task vectors. However, existing methods rely on network linearization to derive task vectors, leading to computational bottlenecks during training and inference. Moreover, linearization alone does not ensure weight disentanglement, the key property that enables conflict-free composition of task vectors. To address this, we propose TaLoS which allows to build sparse task vectors with minimal interference without requiring explicit linearization and sharing information across tasks. We find that pre-trained models contain a subset of parameters with consistently low gradient sensitivity across tasks, and that sparsely updating only these parameters allows for promoting weight disentanglement during fine-tuning. Our experiments prove that TaLoS improves training and inference efficiency while outperforming current methods in task addition and negation. By enabling modular parameter editing, our approach fosters practical deployment of adaptable foundation models in real-world applications.

Deep Learning · Generative Models and Autoencoders

Qiyuan Zhang, Yufei Wang, Tiezheng YU, Yuxin Jiang, Chuhan Wu, Liangyou Li, Yasheng Wang, Xin Jiang, Lifeng Shang, Ruiming Tang 等

With significant efforts in recent studies, LLM-as-a-Judge has become a cost-effective alternative to human evaluation for assessing text generation quality in a wide range of tasks. However, there still remains a reliability gap between LLM-as-a-Judge and human evaluation. One important reason is the lack of guided oracles in the evaluation process. Motivated by the role of reference pervasively used in classic text evaluation, we introduce RevisEval, a novel text generation evaluation paradigm via the response-adapted references. RevisEval is driven by the key observation that an ideal reference should maintain the necessary relevance to the response to be evaluated. Specifically, RevisEval leverages the text revision capabilities of large language models (LLMs) to adaptively revise the response, then treat the revised text as the reference (response-adapted reference) for the subsequent evaluation. Extensive experiments demonstrate that RevisEval outperforms traditional reference-free and reference-based evaluation paradigms that use LLM-as-a-Judge across NLG tasks and open-ended instruction-following tasks. More importantly, our response-adapted references can further boost the classical text metrics, e.g., BLEU and BERTScore, compared to traditional references and even rival the LLM-as-a-Judge. A detailed analysis is also conducted to confirm RevisEval's effectiveness in bias reduction, the impact of inference cost, and reference relevance.

Sihyun Yu, Sangkyung Kwak, Huiwon Jang, Jongheon Jeong, Jonathan Huang, Jinwoo Shin, Saining Xie

Recent studies have shown that the denoising process in (generative) diffusion models can induce meaningful (discriminative) representations inside the model, though the quality of these representations still lags behind those learned through recent self-supervised learning methods. We argue that one main bottleneck in training large-scale diffusion models for generation lies in effectively learning these representations. Moreover, training can be made easier by incorporating high-quality external visual representations, rather than relying solely on the diffusion models to learn them independently. We study this by introducing a straightforward regularization called REPresentation Alignment (REPA), which aligns the projections of noisy input hidden states in denoising networks with clean image representations obtained from external, pretrained visual encoders. The results are striking: our simple strategy yields significant improvements in both training efficiency and generation quality when applied to popular diffusion and flow-based transformers, such as DiTs and SiTs. For instance, our method can speed up SiT training by over 17.5$\times$, matching the performance (without classifier-free guidance) of a SiT-XL model trained for 7M steps in less than 400K steps. In terms of final generation quality, our approach achieves state-of-the-art results of FID=1.42 using classifier-free guidance with the guidance interval.

Applications · Robotics

Ruijie Zheng, Yongyuan Liang, Shuaiyi Huang, Jianfeng Gao, Hal Daumé III, Andrey Kolobov, Furong Huang, Jianwei Yang

Although large vision-language-action (VLA) models pretrained on extensive robot datasets offer promising generalist policies for robotic learning, they still struggle with spatial-temporal dynamics in interactive robotics, making them less effective in handling complex tasks, such as manipulation. In this work, we introduce visual trace prompting, a simple yet effective approach to facilitate VLA models’ spatial-temporal awareness for action prediction by encoding state-action trajectories visually. We develop a new TraceVLA model by finetuningOpenVLA on our own collected dataset of 150K robot manipulation trajectories using visual trace prompting. Evaluations of TraceVLA across 137 configurations in SimplerEnv and 4 tasks on a physical WidowX robot demonstrate state-of-the-art performance, outperforming OpenVLA by 10% on SimplerEnv and 3.5x on real-robot tasks and exhibiting robust generalization across diverse embodiments and scenarios. To further validate the effectiveness and generality of our method, we present a compact VLA model based on 4B Phi-3-Vision, pretrained on the Open-X-Embodiment and finetuned on our dataset, rivals the 7B OpenVLA baseline while significantly improving inference efficiency.

William June Suk Choi, Kyungmin Lee, Jongheon Jeong, Saining Xie, Jinwoo Shin, Kimin Lee

Recent advances in diffusion models have introduced a new era of text-guided image manipulation, enabling users to create realistic edited images with simple textual prompts. However, there is significant concern about the potential misuse of these methods, especially in creating misleading or harmful content. Although recent defense strategies, which introduce imperceptible adversarial noise to induce model failure, have shown promise, they remain ineffective against more sophisticated manipulations, such as editing with a mask. In this work, we propose DiffusionGuard, a robust and effective defense method against unauthorized edits by diffusion-based image editing models, even in challenging setups. Through a detailed analysis of these models, we introduce a novel objective that generates adversarial noise targeting the early stage of the diffusion process. This approach significantly improves the efficiency and effectiveness of adversarial noises. We also introduce a mask-augmentation technique to enhance robustness against various masks during test time. Finally, we introduce a comprehensive benchmark designed to evaluate the effectiveness and robustness of methods in protecting against privacy threats in realistic scenarios. Through extensive experiments, we show that our method achieves stronger protection and improved mask robustness with lower computational costs compared to the strongest baseline. Additionally, our method exhibits superior transferability and better resilience to noise removal techniques compared to all baseline methods. Our source code is publicly available at https://choi403.github.io/diffusionguard.

Deep Learning · Self-Supervised Learning

Sheng Li, Qitao Tan, Yue Dai, Zhenglun Kong, Tianyu Wang, Jun Liu, Ao Li, Ninghao Liu, Yufei Ding, Xulong Tang 等

Self-supervised learning (SSL) offers a compelling solution to the challenge of extensive labeled data requirements in traditional supervised learning.With the proven success of Vision Transformers (ViTs) in supervised tasks, there is increasing interest in adapting them for SSL frameworks. However, the high computational demands of SSL pose substantial challenges, particularly on resource-limited platforms like edge devices, despite its ability to achieve high accuracy without labeled data.Recent studies in supervised learning have shown that token pruning can reduce training costs by removing less informative tokens without compromising accuracy. However, SSL’s dual-branch encoders make traditional single-branch pruning strategies less effective, as they fail to account for the critical cross-branch similarity information, leading to reduced accuracy in SSL.To this end, we introduce SimPrune, a novel token pruning strategy designed for ViTs in SSL. SimPrune leverages cross-branch similarity information to efficiently prune tokens, retaining essential semantic information across dual branches. Additionally, we incorporate a difficulty-aware pruning strategy to further enhance SimPrune's effectiveness.Experimental results show that our proposed approach effectively reduces training computation while maintaining accuracy. Specifically, our approach offers 24\% savings in training costs compared to SSL baseline, without sacrificing accuracy.

Deep Learning · Generative Models and Autoencoders

Nate Gillman, Daksh Aggarwal, Michael Freeman, Chen Sun

As the quality of large language models has improved, there has been increased interest in using them to model non-linguistic tokens. For example, the Decision Transformer recasts agentic decision making as a sequence modeling problem, using a decoder-only LLM to model the distribution over the discrete action space for an Atari agent. However, when adapting LLMs to non-linguistic domains, it remains unclear if softmax over discrete bins captures the continuous structure of the tokens and the potentially complex distributions needed for high quality token generation. We introduce a neural network layer, constructed using Fourier series, which we can easily substitute for any linear layer if we want the outputs to have a more continuous structure. We perform extensive analysis on synthetic datasets, as well as on large-scale decision making and time series forecasting tasks. We also provide theoretical evidence that this layer can better learn signal from data while ignoring high-frequency noise. All of our results support the effectiveness of our proposed Fourier head in scenarios where the underlying data distribution has a natural continuous structure. For example, the Fourier head improves a Decision Transformer agent's returns across four benchmark Atari games by as much as 377\%, and increases a state-of-the-art times series foundation model's forecasting performance by 3.5\% across 20 benchmarks unseen during training.We release our implementation at https://nategillman.com/fourier-head

Deep Learning · Large Language Models

Jixuan Leng, Chengsong Huang, Banghua Zhu, Jiaxin Huang

Language model calibration refers to the alignment between the confidence of the model and the actual performance of its responses.While previous studies point out the overconfidence phenomenon in Large Language Models (LLMs) and show that LLMs trained with Reinforcement Learning from Human Feedback (RLHF) are overconfident with a more sharpened output probability, in this study, we reveal that RLHF tends to lead models to express verbalized overconfidence in their own responses. We investigate the underlying cause of this overconfidence and demonstrate that reward models used for Proximal Policy Optimization (PPO) exhibit inherent biases towards high-confidence scores regardless of the actual quality of responses. Building upon this insight, we propose two PPO variants: PPO-M: $\underline{PPO}$ with Calibrated Reward $\underline{M}$odeling and PPO-C: $\underline{PPO}$ with Calibrated Reward $\underline{C}$alculation. PPO-M integrates explicit confidence scores in reward model training, which calibrates reward modelsto better capture the alignment between response quality and verbalized confidence. PPO-C adjusts the reward score during PPO based on the difference between the current reward and the moving average of past rewards. Both PPO-M and PPO-C can be seamlessly integrated into the current PPO pipeline and do not require additional golden labels. We evaluate our methods on both $\texttt{Llama3-8B}$ and $\texttt{Mistral-7B}$ across six diverse datasets including multiple-choice and open-ended generation. Experiment results demonstrate that both of our methods can reduce calibration error and maintain performance comparable to standard PPO. We further show that they do not compromise model capabilities in open-ended conversation settings.

Deep Learning · Attention Mechanisms

Nathan Henry, Giovanni Luca Marchetti, Kathlén Kohn

We consider function spaces defined by self-attention networks without normalization, and theoretically analyze their geometry. Since these networks are polynomial, we rely on tools from algebraic geometry. In particular, we study the identifiability of deep attention by providing a description of the generic fibers of the parametrization for an arbitrary number of layers and, as a consequence, compute the dimension of the function space. Additionally, for a single-layer model, we characterize the singular and boundary points. Finally, we formulate a conjectural extension of our results to normalized self-attention networks, prove it for a single layer, and numerically verify it in the deep case.

Miscellaneous Aspects of Machine Learning · Causality

Andrew Ying

Real-time monitoring in modern medical research introduces functional longitudinal data, characterized by continuous-time measurements of outcomes, treatments, and confounders. This complexity leads to uncountably infinite treatment-confounder feedbacks, which traditional causal inference methodologies cannot handle. Inspired by the coarsened data framework, we adopt stochastic process theory, measure theory, and net convergence to propose a nonparametric causal identification framework. This framework generalizes classical g-computation, inverse probability weighting, and doubly robust formulas, accommodating time-varying outcomes subject to mortality and censoring for functional longitudinal data. We examine our framework through Monte Carlo simulations. Our approach addresses significant gaps in current methodologies, providing a solution for functional longitudinal data and paving the way for future estimation work in this domain.

Reinforcement Learning · Planning

Yutaka Shimizu, Masayoshi Tomizuka

Model-based reinforcement learning (MBRL) has shown promise for improving sample efficiency and decision-making in complex environments. However, existing methods face challenges in training stability, robustness to noise, and computational efficiency. In this paper, we propose Bisimulation Metric for Model Predictive Control (BS-MPC), a novel approach that incorporates bisimulation metric loss in its objective function to directly optimize the encoder. This optimization enables the learned encoder to extract intrinsic information from the original state space while discarding irrelevant details. BS-MPC improves training stability, robustness against input noise, and computational efficiency by reducing training time. We evaluate BS-MPC on both continuous control and image-based tasks from the DeepMind Control Suite, demonstrating superior performance and robustness compared to state-of-the-art baseline methods.

Deep Learning · Large Language Models

Tung Nguyen, Aditya Grover

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large Language Models (LLMs), with their strong pattern-matching capabilities via pretraining on vast amounts of data, stand out as a potential candidate for surrogate modeling. However, directly prompting a pretrained language model to produce predictions is not feasible in many scientific domains due to the scarcity of domain-specific data in the pretraining corpora and the challenges of articulating complex problems in natural language. In this work, we introduce LICO, a general-purpose model that extends arbitrary base LLMs for black-box optimization, with a particular application to the molecular domain. To achieve this, we equip the language model with a separate embedding layer and prediction layer, and train the model to perform in-context predictions on a diverse set of functions defined over the domain. Once trained, LICO can generalize to unseen molecule properties simply via in-context prompting. LICO performs competitively on PMO, a challenging molecular optimization benchmark comprising 23 objective functions, and achieves state-of-the-art performance on its low-budget version PMO-1K.

Applications · Computer Vision

Jian Chen, Ruiyi Zhang, Yufan Zhou, Tong Yu, Franck Dernoncourt, Jiuxiang Gu, Ryan Rossi, Changyou Chen, Tong Sun

Multimodal large language models (MLLMs) have recently shown great progress in text-rich image understanding, yet they still struggle with complex, multi-page visually-rich documents. Traditional methods using document parsers for retrieval-augmented generation suffer from performance and efficiency limitations, while directly presenting all pages to MLLMs leads to inefficiencies, especially with lengthy ones. In this work, we present a novel framework named **S**elf-**V**isual **R**etrieval-**A**ugmented **G**eneration (SV-RAG), which can broaden horizons of *any* MLLM to support long-document understanding. We demonstrate that **MLLMs themselves can be an effective multimodal retriever** to fetch relevant pages and then answer user questions based on these pages. SV-RAG is implemented with two specific MLLM adapters, one for evidence page retrieval and the other for question answering. Empirical results show state-of-the-art performance on public benchmarks, demonstrating the effectiveness of SV-RAG.

Applications · Computer Vision

Yufan Chen, Ruiping Liu, Junwei Zheng, Di Wen, Kunyu Peng, Jiaming Zhang, Rainer Stiefelhagen

When reading a document, glancing at the spatial layout of a document is an initial step to understand it roughly. Traditional document layout analysis (DLA) methods, however, offer only a superficial parsing of documents, focusing on basic instance detection and often failing to capture the nuanced spatial and logical relationships between instances. These limitations hinder DLA-based models from achieving a gradually deeper comprehension akin to human reading. In this work, we propose a novel graph-based Document Structure Analysis (gDSA) task. This task requires that model not only detects document elements but also generates spatial and logical relations in form of a graph structure, allowing to understand documents in a holistic and intuitive manner. For this new task, we construct a relation graph-based document structure analysis dataset(GraphDoc) with 80K document images and 4.13M relation annotations, enabling training models to complete multiple tasks like reading order, hierarchical structures analysis, and complex inter-element relationship inference. Furthermore, a document relation graph generator (DRGG) is proposed to address the gDSA task, which achieves performance with 57.6% at $mAP_g$@$0.5$ for a strong benchmark baseline on this novel task and dataset. We hope this graphical representation of document structure can mark an innovative advancement in document structure analysis and understanding. The new dataset and code will be made publicly available.

Deep Learning · Generative Models and Autoencoders

Kyeongkook Seo, Dong-Jun Han, Jaejun Yoo

Despite recent advancements in federated learning (FL), the integration of generative models into FL has been limited due to challenges such as high communication costs and unstable training in heterogeneous data environments. To address these issues, we propose PRISM, a FL framework tailored for generative models that ensures (i) stable performance in heterogeneous data distributions and (ii) resource efficiency in terms of communication cost and final model size. The key of our method is to search for an optimal stochastic binary mask for a random network rather than updating the model weights, identifying a sparse subnetwork with high generative performance; i.e., a ``strong lottery ticket''. By communicating binary masks in a stochastic manner, PRISM minimizes communication overhead. This approach, combined with the utilization of maximum mean discrepancy (MMD) loss and a mask-aware dynamic moving average aggregation method (MADA) on the server side, facilitates stable and strong generative capabilities by mitigating local divergence in FL scenarios. Moreover, thanks to its sparsifying characteristic, PRISM yields a lightweight model without extra pruning or quantization, making it ideal for environments such as edge devices. Experiments on MNIST, FMNIST, CelebA, and CIFAR10 demonstrate that PRISM outperforms existing methods, while maintaining privacy with minimal communication costs. PRISM is the first to successfully generate images under challenging non-IID and privacy-preserving FL environments on complex datasets, where previous methods have struggled.

Deep Learning · Large Language Models

Arinbjörn Kolbeinsson, Kyle O'Brien, Tianjin Huang, Shanghua Gao, Shiwei Liu, Jonathan Schwarz, Anurag Vaidya, Faisal Mahmood, Marinka Zitnik, Tianlong Chen 等

Test-time interventions for language models can enhance factual accuracy, mitigate harmful outputs, and improve model efficiency without costly retraining. But despite a flood of new methods, different types of interventions are largely developing independently.In practice, multiple interventions must be applied sequentially to the same model, yet we lack standardized ways to study how interventions interact. We fill this gap by introducing composable interventions, a framework to study the effects of using multiple interventions on the same language models, featuring new metrics and a unified codebase. Using our framework, we conduct extensive experiments and compose popular methods from three emerging intervention categories---knowledge editing, model compression, and machine unlearning. Our results over 417 different compositions uncover meaningful interactions: compression hinders editing and unlearning, composing interventions hinges on their order of application, and popular general-purpose metrics are inadequate for assessing composability. Taken together, our findings showcase clear gaps in composability, suggesting a need for new multi-objective interventions.

Applications · Robotics

Xiu Yuan, Tongzhou Mu, Stone Tao, Yunhao Fang, Zhang, Hao Su

Recent advancements in robot learning have used imitation learning with large models and extensive demonstrations to develop effective policies. However, these models are often limited by the quantity quality, and diversity of demonstrations. This paper explores improving offline-trained imitation learning models through online interactions with the environment. We introduce Policy Decorator, which uses a model-agnostic residual policy to refine large imitation learning models during online interactions. By implementing controlled exploration strategies, Policy Decorator enables stable, sample-efficient online learning. Our evaluation spans eight tasks across two benchmarks—ManiSkill and Adroit—and involves two state-of-the-art imitation learning models (Behavior Transformer and Diffusion Policy). The results show Policy Decorator effectively improves the offline-trained policies and preserves the smooth motion of imitation learning models, avoiding the erratic behaviors of pure RL policies. See our [project page](https://policydecorator.github.io/) for videos.

Reinforcement Learning · Deep RL

Josiah Kratz, Jacob Adamczyk

Many organisms and cell types, from bacteria to cancer cells, exhibit a remarkable ability to adapt to fluctuating environments. Additionally, cells can leverage memory of past environments to better survive previously-encountered stressors. From a control perspective, this adaptability poses significant challenges in driving cell populations toward extinction, and is thus an open question with great clinical significance. In this work, we focus on drug dosing in cell populations exhibiting phenotypic plasticity. For specific dynamical models switching between resistant and susceptible states, exact solutions are known. However, when the underlying system parameters are unknown, and for complex memory-based systems, obtaining the optimal solution is currently intractable. To address this challenge, we apply reinforcement learning (RL) to identify informed dosing strategies to control cell populations evolving under novel non-Markovian dynamics. We find that model-free deep RL is able to recover exact solutions and control cell populations even in the presence of long-range temporal dynamics. To further test our approach in more realistic settings, we demonstrate performant RL-based control strategies in environments with dynamic memory strength.

Applications · Physics

Ann-Kathrin Schuetz, Alan Poon, Aobo Li

The experimental discovery of neutrinoless double-beta decay (NLDBD) would answer one of the most important questions in physics: Why is there more matter than antimatter in our universe? To maximize the chances of discovery, NLDBD experiments must optimize their detector designs to minimize the probability of background events contaminating the detector. Given that this probability is inherently low, design optimization either requires extremely costly simulations to generate sufficient background counts or contending with significant variance. In this work, we formalize this dilemma as a Rare Event Design (RED) problem: identifying optimal design parameters when the design metric to be minimized is inherently small. We then designed the Rare Event Surrogate Model (RESuM) for physics detector design optimization under RED conditions. RESuM uses a pre-trained Conditional Neural Process (CNP) model to incorporate additional prior knowledge into a Multi-Fidelity Gaussian Process model. We applied RESuM to optimize neutron shielding designs for the LEGEND NLDBD experiment, identifying an optimal design that reduces the neutron background by $(66.5 \pm 3.5)$% while using only 3.3% of the computational resources compared to traditional methods. Given the prevalence of RED problems in other fields of physical sciences, especially in rare-event searches, the RESuM algorithm has broad potential for accelerating simulation-intensive applications.