GenAI4ELab/papercli-papers huggingface dataset:
Unify ML4TSP: Drawing Methodological Principles for TSP and Beyond from Streamlined Design Space of Learning and Search
Authors: Yang Li; Jiale Ma; Wenzheng Pan; Runzhong Wang; Haoyu Geng; Nianzu Yang; Junchi Yan
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Despite the rich works on machine learning (ML) for combinatorial optimization (CO), a unified, principled framework remains lacking. This study utilizes the Travelling Salesman Problem (TSP) as a major case study, with adaptations demonstrated for other CO problems, dissecting established mainstream learning-based solvers to outline a comprehensive design space. We present ML4TSPBench, which advances a unified modular streamline incorporating existing technologies in both learning and search for transparent ablation, aiming to reassess the role of learning and discern which parts of existing techniques are genuinely beneficial and which are not. This further leads to the investigation of desirable principles of learning designs and the exploration of concepts guiding method designs. We demonstrate the desirability of principles such as joint probability estimation, symmetry solution representation, and online optimization for learning-based designs. Leveraging the findings, we propose enhancements to existing methods to compensate for their missing attributes, thereby advancing performance and enriching the technique library. From a higher viewpoint, we also uncover a performance advantage in non-autoregressive and supervised paradigms compared to their counterparts. The strategic decoupling and organic recompositions yield a factory of new TSP solvers, where we investigate synergies across various method combinations and pinpoint the optimal design choices to create more powerful ML4TSP solvers, thereby facilitating and offering a reference for future research and engineering endeavors.
Bridging Compressed Image Latents and Multimodal Large Language Models
Authors: Chia-Hao Kao; Cheng Chien; Yu-Jen Tseng; Yi-Hsin Chen; Alessandro Gnutti; Shao-Yuan Lo; Wen-Hsiao Peng; Riccardo Leonardi
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: This paper presents the first-ever study of adapting compressed image latents to suit the needs of downstream vision tasks that adopt Multimodal Large Language Models (MLLMs). MLLMs have extended the success of large language models to modalities (e.g. images) beyond text, but their billion scale hinders deployment on resource-constrained end devices. While cloud-hosted MLLMs could be available, transmitting raw, uncompressed images captured by end devices to the cloud requires an efficient image compression system. To address this, we focus on emerging neural image compression and propose a novel framework with a lightweight transform-neck and a surrogate loss to adapt compressed image latents for MLLM-based vision tasks. 
Given the huge scale of MLLMs, our framework excludes the entire downstream MLLM except part of its visual encoder from training our system. This stands out from most existing coding for machine approaches that involve downstream networks in training and thus could be impractical when the networks are MLLMs. The proposed framework is general in that it is applicable to various MLLMs, neural image codecs, and multiple application scenarios, where the neural image codec can be (1) pre-trained for human perception without updating, (2) fully updated for joint human and machine perception, or (3) fully updated for only machine perception. 
Extensive experiments on different neural image codecs and various MLLMs show that our method achieves great rate-accuracy performance with much less complexity.
Learning Partial Graph Matching via Optimal Partial Transport
Authors: Gathika Ratnayaka; James Nichols; Qing Wang
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Partial graph matching extends traditional graph matching by allowing some nodes to remain unmatched, enabling applications in more complex scenarios. However, this flexibility introduces additional complexity, as both the subset of nodes to match and the optimal mapping must be determined. While recent studies have explored deep learning techniques for partial graph matching, a significant limitation remains: the absence of an optimization objective that fully captures the problem’s intrinsic nature while enabling efficient solutions. In this paper, we propose a novel optimization framework for partial graph matching, inspired by optimal partial transport. Our approach formulates an objective that enables partial assignments while incorporating matching biases, using weighted total variation as the divergence function to guarantee optimal partial assignments. Our method can achieve efficient, exact solutions within cubic worst case time complexity. Our contributions are threefold: (i) we introduce a novel optimization objective that balances matched and unmatched nodes; (ii) we establish a connection between partial graph matching and linear sum assignment problem, enabling efficient solutions; (iii) we propose a deep graph matching architecture with a novel partial matching loss, providing an end-to-end solution. The empirical evaluations on standard graph matching benchmarks demonstrate the efficacy of the proposed approach.
Offline RL with Smooth OOD Generalization in Convex Hull and its Neighborhood
Authors: Qingmao Yao; Zhichao Lei; Tianyuan Chen; Ziyue Yuan; Xuefan Chen; Jianxiang Liu; Faguo Wu; Xiao Zhang
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Offline Reinforcement Learning (RL) struggles with distributional shifts, leading to the $Q$-value overestimation for out-of-distribution (OOD) actions. Existing methods address this issue by imposing constraints; however, they often become overly conservative when evaluating OOD regions, which constrains the $Q$-function generalization. This over-constraint issue results in poor $Q$-value estimation and hinders policy improvement. In this paper, we introduce a novel approach to achieve better $Q$-value estimation by enhancing $Q$-function generalization in OOD regions within Convex Hull and its Neighborhood (CHN). Under the safety generalization guarantees of the CHN, we propose the Smooth Bellman Operator (SBO), which updates OOD $Q$-values by smoothing them with neighboring in-sample $Q$-values. We theoretically show that SBO approximates true $Q$-values for both in-sample and OOD actions within the CHN. Our practical algorithm, Smooth Q-function OOD Generalization (SQOG), empirically alleviates the over-constraint issue, achieving near-accurate $Q$-value estimation. On the D4RL benchmarks, SQOG outperforms existing state-of-the-art methods in both performance and computational efficiency. Code is available at <https://github.com/yqpqry/SQOG>.
Adversarial Search Engine Optimization for Large Language Models
Authors: Fredrik Nestaas; Edoardo Debenedetti; Florian Tramèr
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Large Language Models (LLMs) are increasingly used in applications where the model selects from competing third-party content, such as in LLM-powered search engines or chatbot plugins.
In this paper, we introduce _Preference Manipulation Attacks_, a new class of attacks that manipulate an LLM's selections to favor the attacker. We demonstrate that carefully crafted website content or plugin documentations can trick an LLM to promote the attacker products and discredit competitors, thereby increasing user traffic and monetization (a form of adversarial Search Engine Optimization).
We show this can lead to a _prisoner's dilemma_, where all parties are incentivized to launch attacks, but this collectively  degrades the LLM's outputs for everyone. We demonstrate our attacks on production LLM search engines (Bing and Perplexity) and plugin APIs (for GPT-4 and Claude). As LLMs are increasingly used to rank third-party content, we expect Preference Manipulation Attacks to emerge as a significant threat.
Near, far: Patch-ordering enhances vision foundation models' scene understanding
Authors: Valentinos Pariza; Mohammadreza Salehi; Gertjan J. Burghouts; Francesco Locatello; Yuki M Asano
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: We introduce NeCo: Patch Neighbor Consistency, a novel self-supervised training loss that enforces patch-level nearest neighbor consistency across a student and teacher model. Compared to contrastive approaches that only yield binary learning signals, i.e. "attract" and "repel", this approach benefits from the more fine-grained learning signal of sorting spatially dense features relative to reference patches. Our method leverages differentiable sorting applied on top of pretrained representations, such as DINOv2-registers to bootstrap the learning signal and further improve upon them. This dense post-pretraining leads to superior performance across various models and datasets, despite requiring only 19 hours on a single GPU. This method generates high-quality dense feature encoders and establishes several new state-of-the-art results such as +2.3 % and +4.2% for non-parametric in-context semantic segmentation on ADE20k and Pascal VOC, +1.6% and +4.8% for linear segmentation evaluations on COCO-Things and -Stuff and improvements in the 3D understanding of multi-view consistency on SPair-71k, by more than 1.5%.
NeRAF: 3D Scene Infused Neural Radiance and Acoustic Fields
Authors: Amandine Brunetto; Sascha Hornauer; Fabien Moutarde
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Sound plays a major role in human perception. Along with vision, it provides essential information for understanding our surroundings. Despite advances in neural implicit representations, learning acoustics that align with visual scenes remains a challenge. We propose NeRAF, a method that jointly learns acoustic and radiance fields. NeRAF synthesizes both novel views and spatialized room impulse responses (RIR) at new positions by conditioning the acoustic field on 3D scene geometric and appearance priors from the radiance field. The generated RIR can be applied to auralize any audio signal. Each modality can be rendered independently and at spatially distinct positions, offering greater versatility. We demonstrate that NeRAF generates high-quality audio on SoundSpaces and RAF datasets, achieving significant performance improvements over prior methods while being more data-efficient. Additionally, NeRAF enhances novel view synthesis of complex scenes trained with sparse data through cross-modal learning.
NeRAF is designed as a Nerfstudio module, providing convenient access to realistic audio-visual generation. Project page: https://amandinebtto.github.io/NeRAF
Flow Distillation Sampling: Regularizing 3D Gaussians with Pre-trained Matching Priors
Authors: Lin-Zhuo Chen; Kangjie Liu; Youtian Lin; Zhihao Li; Siyu Zhu; Xun Cao; Yao Yao
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: 3D Gaussian Splatting (3DGS) has achieved excellent rendering quality with fast training and rendering speed. However, its optimization process lacks explicit geometric constraints, leading to suboptimal geometric reconstruction in regions with sparse or no observational input views. In this work, we try to mitigate the issue by incorporating a pre-trained matching prior to the 3DGS optimization process. We introduce Flow Distillation Sampling (FDS), a technique that leverages pre-trained geometric knowledge to bolster the accuracy of the Gaussian radiance field. Our method employs a strategic sampling technique to target unobserved views adjacent to the input views, utilizing the optical flow calculated from the matching model (Prior Flow) to guide the flow analytically calculated from the 3DGS geometry (Radiance Flow). Comprehensive experiments in depth rendering, mesh reconstruction, and novel view synthesis showcase the significant advantages of FDS over state-of-the-art methods. Additionally, our interpretive experiments and analysis aim to shed light on the effects of FDS on geometric accuracy and rendering quality, potentially providing readers with insights into its performance.
Test-Time Adaptation for Combating Missing Modalities in Egocentric Videos
Authors: Merey Ramazanova; Alejandro Pardo; Bernard Ghanem; Motasem Alfarra
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Understanding videos that contain multiple modalities is crucial, especially in egocentric videos, where combining various sensory inputs significantly improves tasks like action recognition and moment localization. However, real-world applications often face challenges with incomplete modalities due to privacy concerns, efficiency needs, or hardware issues. Current methods, while effective, often necessitate retraining the model entirely to handle missing modalities, making them computationally intensive, particularly with large training datasets. In this study, we propose a novel approach to address this issue at test time without requiring retraining. We frame the problem as a test-time adaptation task, where the model adjusts to the available unlabeled data at test time. Our method, MiDl~(Mutual information with self-Distillation), encourages the model to be insensitive to the specific modality source present during testing by minimizing the mutual information between the prediction and the available modality. Additionally, we incorporate self-distillation to maintain the model's original performance when both modalities are available. MiDl represents the first self-supervised, online solution for handling missing modalities exclusively at test time. Through experiments with various pretrained models and datasets, MiDl demonstrates substantial performance improvement without the need for retraining.
Model-based Offline Reinforcement Learning with Lower Expectile Q-Learning
Authors: Kwanyoung Park; Youngwoon Lee
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Model-based offline reinforcement learning (RL) is a compelling approach that addresses the challenge of learning from limited, static data by generating imaginary trajectories using learned models. However, these approaches often struggle with inaccurate value estimation from model rollouts. In this paper, we introduce a novel model-based offline RL method, Lower Expectile Q-learning (LEQ), which provides a low-bias model-based value estimation via lower expectile regression of $\lambda$-returns. Our empirical results show that LEQ significantly outperforms previous model-based offline RL methods on long-horizon tasks, such as the D4RL AntMaze tasks, matching or surpassing the performance of model-free approaches and sequence modeling approaches. Furthermore, LEQ matches the performance of state-of-the-art model-based and model-free methods in dense-reward environments across both state-based tasks (NeoRL and D4RL) and pixel-based tasks (V-D4RL), showing that LEQ works robustly across diverse domains. Our ablation studies demonstrate that lower expectile regression, $\lambda$-returns, and critic training on offline data are all crucial for LEQ.
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints
Authors: Miruna Cretu; Charles Harris; Ilia Igashov; Arne Schneuing; Marwin Segler; Bruno Correia; Julien Roy; Emmanuel Bengio; Pietro Lio
Venue: ICLR 2025 (ICLR 2025 Spotlight)

Abstract: Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically inaccessible molecules. To address this, we introduce SynFlowNet, a GFlowNet model whose action space uses chemical reactions and buyable reactants to sequentially build new molecules. By incorporating forward synthesis as an explicit constraint of the generative mechanism, we aim at bridging the gap between in silico molecular generation and real world synthesis capabilities. We evaluate our approach using synthetic accessibility scores and an independent retrosynthesis tool to assess the synthesizability of our compounds, and motivate the choice of GFlowNets through considerable improvement in sample diversity compared to baselines. Additionally, we identify challenges with reaction encodings that can complicate traversal of the MDP in the backward direction. To address this, we introduce various strategies for learning the GFlowNet backward policy and thus demonstrate how additional constraints can be integrated into the GFlowNet MDP framework. This approach enables our model to successfully identify synthesis pathways for previously unseen molecules.
A Large-scale Dataset and Benchmark for Commuting Origin-Destination Flow Generation
Authors: Can Rong; Jingtao Ding; Yan Liu; Yong Li
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Commuting Origin-Destination~(OD) flows are critical inputs for urban planning and transportation, providing crucial information about the population residing in one region and working in another within an interested area. Due to the high cost of data collection, researchers have developed physical and computational models to generate commuting OD flows using readily available urban attributes, such as sociodemographics and points of interest, for cities lacking historical OD flows \textemdash commuting OD flow generation. Existing works developed models based on different techniques and achieved improvement on different datasets with different evaluation metrics, which hinderes establishing a unified standard for comparing model performance. To bridge this gap, we introduce a large-scale dataset containing commuting OD flows for 3,333 areas including a wide range of urban environments around the United States. Based on that, we benchmark widely used models for commuting OD flow generation. We surprisingly find that the network-based generative models achieve the optimal performance in terms of both precision and generalization ability, which may inspire new research directions of graph generative modeling in this field. The dataset and benchmark are available at https://anonymous.4open.science/r/CommutingODGen-Dataset-0D4C/.
Cross-Domain Off-Policy Evaluation and Learning for Contextual Bandits
Authors: Yuta Natsubori; Masataka Ushiku; Yuta Saito
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Off-Policy Evaluation and Learning (OPE/L) in contextual bandits is rapidly gaining popularity in real systems because new policies can be evaluated and learned securely using only historical logged data. However, existing methods in OPE/L cannot handle many challenging but prevalent scenarios such as few-shot data, deterministic logging policies, and new actions. In many applications, such as personalized medicine, content recommendations, education, and advertising, we need to evaluate and learn new policies in the presence of these challenges. Existing methods cannot evaluate and optimize effectively in these situations due to the notorious variance issue or limited exploration in the logged data. To enable OPE/L even under these unsolved challenges, we propose a new problem setup of Cross-Domain OPE/L, where we have access not only to the logged data from the target domain in which the new policy will be implemented but also to logged datasets collected from other domains. This novel formulation is widely applicable because we can often use historical data not only from the target hospital, country, device, or user segment but also from other hospitals, countries, devices, or segments. We develop a new estimator and policy gradient method to solve OPE/L by leveraging both target and source datasets, resulting in substantially enhanced OPE/L in the previously unsolved situations in our empirical evaluations.
MAST: model-agnostic sparsified training
Authors: Yury Demidovich; Grigory Malinovsky; Egor Shulgin; Peter Richtárik
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: We introduce a novel optimization problem formulation that departs from the conventional way of minimizing machine learning model loss as a black-box function. Unlike traditional formulations, the proposed approach explicitly incorporates an initially pre-trained model and random sketch operators, allowing for sparsification of both the model and gradient during training. We establish insightful properties of the proposed objective function and highlight its connections to the standard formulation. Furthermore, we present several variants of the Stochastic Gradient Descent (SGD) method adapted to the new problem formulation, including SGD with general sampling, a distributed version, and SGD with variance reduction techniques. We achieve tighter convergence rates and relax assumptions, bridging the gap between theoretical principles and practical applications, covering several important techniques such as Dropout and Sparse training. This work presents promising opportunities to enhance the theoretical understanding of model training through a sparsification-aware optimization approach.
LOIRE: LifelOng learning on Incremental data via pre-trained language model gRowth Efficiently
Authors: Xue Han; Yitong Wang; Junlan Feng; wenchun.gao; Qian Hu; Chao Deng
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Large-scale pre-trained language models (PLMs) require significant computational resources to train from scratch on large volumes of data. But in the real world, emerging data from diverse sources may not be initially available for pre-training. Recent studies on lifelong learning have tried to solve this problem by exploring the use of model growth techniques to effectively incorporate new knowledge without the need for complete re-training. However, model growth approaches utilized have issues with growth operators that do not ensure strict function preservation or growth schedules that only include a few growth dimensions, reducing lifelong learning's effect. Furthermore, existing approaches often assume that emerging data has the same distribution as pre-training data, causing catastrophic forgetting of previously acquired knowledge. To address the aforementioned issues, we introduce LOIRE, a framework for lifelong learning that enables PLMs to effectively grow their capacity using incremental data. LOIRE employs growth operators for all feasible dimensions and a growth schedule to generate the optimal expansion sequence in the field of lifelong learning. Specifically, we present a novel plug-in layer growth operator with residual connections that skip the newly added layer during initial training while ensuring function preservation. We additionally propose an iterative distillation strategy for LOIRE that allows an intermediate model in the growth stages to switch between being a student and a teacher, reducing catastrophic forgetting during growth. Experiments show that LOIRE can reduce computational expenses by an average of 29.22\% while retaining equivalent or better downstream performance.
Continuous Diffusion for Mixed-Type Tabular Data
Authors: Markus Mueller; Kathrin Gruber; Dennis Fok
Venue: ICLR 2025 (ICLR 2025 Poster)

Abstract: Score-based generative models, commonly referred to as diffusion models, have proven to be successful at generating text and image data.
However, their adaptation to mixed-type tabular data remains underexplored. In this work, we propose CDTD, a Continuous Diffusion model for mixed-type Tabular Data. CDTD is based on a novel combination of score matching and score interpolation to enforce a unified continuous noise distribution for both continuous and categorical features. We explicitly acknowledge the necessity of homogenizing distinct data types by relying on model-specific loss calibration and initialization schemes. To further address the high heterogeneity in mixed-type tabular data, we introduce adaptive feature- or type-specific noise schedules. These ensure balanced generative performance across features and optimize the allocation of model capacity across features and diffusion time. Our experimental results show that CDTD consistently outperforms state-of-the-art benchmark models, captures feature correlations exceptionally well, and that heterogeneity in the noise schedule design boosts sample quality. Replication code is available at https://github.com/muellermarkus/cdtd.