ICLR 2025 Papers

Non-rigid alignment of point clouds is crucial for scene understanding, reconstruction, and various computer vision and robotics tasks. Recent advancements in implicit deformation networks for non-rigid registration have significantly reduced the reliance on large amounts of annotated training data. However, existing state-of-the-art methods still face challenges in handling occlusion scenarios. To address this issue, this paper introduces an innovative unsupervised method called Occlusion-Aware Registration (OAR) for non-rigidly aligning point clouds. The key innovation of our method lies in the utilization of the adaptive correntropy function as a localized similarity measure, enabling us to treat individual points distinctly. In contrast to previous approaches that solely minimize overall deviations between two shapes, we combine unsupervised implicit neural representations with the maximum correntropy criterion to optimize the deformation of unoccluded regions. This effectively avoids collapsed, tearing, and other physically implausible results. Moreover, we present a theoretical analysis and establish the relationship between the maximum correntropy criterion and the commonly used Chamfer distance, highlighting that the correntropy-induced metric can be served as a more universal measure for point cloud analysis. Additionally, we introduce locally linear reconstruction to ensure that regions lacking correspondences between shapes still undergo physically natural deformations. Our method achieves superior or competitive performance compared to existing approaches, particularly when dealing with occluded geometries. We also demonstrate the versatility of our method in challenging tasks such as large deformations, shape interpolation, and shape completion under occlusion disturbances.

Large Language Models (LLMs) applied to code-related applications have emerged as a prominent field, attracting significant interest from academia and industry. However, as new and improved LLMs are developed, existing evaluation benchmarks (e.g., HumanEvla, MBPP) are no longer sufficient for assessing their capabilities suffering from data contamination, overfitting, saturation, and focus on merely code generation. In this work, we propose LiveCodeBench, a comprehensive and contamination-free evaluation of LLMs for code, which collects new problems over time from contests across three competition platforms, Leetcode, Atcoder, and Codeforces. Notably, our benchmark also focuses on a broader range of code-related capabilities, such as self-repair, code execution, and test output prediction, beyond just code generation. Currently, LiveCodeBench hosts over six hundred coding problems that were published between May 2023 and Aug 2024. We evaluate over 50 LLMs on LiveCodeBench (LCB for brevity) presenting the largest evaluation study of code LLMs on competition problems. Based on the study, we present novel empirical findings on contamination, overfitting, and holistic evaluations. We demonstrate that time-segmented evaluations serve as a robust approach to evade contamination; they are successful at detecting contamination across a wide range of open and closed models including GPT-4O, Claude, Deepseek, and Codestral. Next, we highlight overfitting and saturation of traditional coding benchmarks like HumanEvla and demonstrate LCB allows more reliable evaluations. Finally, our holistic evaluation scenarios allow for measuring the different capabilities of programming agents in isolation.

Vision-Language Models (VLMs) are powerful tools for processing and understanding text and images. We study the processing of visual tokens in the language model component of LLaVA, a prominent VLM. Our approach focuses on analyzing the localization of object information, the evolution of visual token representations across layers, and the mechanism of integrating visual information for predictions. Through ablation studies, we demonstrated that object identification accuracy drops by over 70\% when object-specific tokens are removed. We observed that visual token representations become increasingly interpretable in the vocabulary space across layers, suggesting an alignment with textual tokens corresponding to image content. Finally, we found that the model extracts object information from these refined representations at the last token position for prediction, mirroring the process in text-only language models for factual association tasks. These findings provide crucial insights into how VLMs process and integrate visual information, bridging the gap between our understanding of language and vision models, and paving the way for more interpretable and controllable multimodal systems.

With the rapidly expanding landscape of large language models, aligning model generations with human values and preferences is becoming increasingly important. Popular alignment methods, such as Reinforcement Learning from Human Feedback, have shown significant success in guiding models with greater control. However, these methods require considerable computational resources, which is inefficient, and substantial collection of training data to accommodate the diverse and pluralistic nature of human preferences, which is impractical. These limitations significantly constrain the scope and efficacy of both task-specific and general preference alignment methods. In this work, we introduce On-the-fly Preference Alignment via Principle-Guided Decoding (OPAD) to directly align model outputs with human preferences during inference, eliminating the need for fine-tuning. Our approach involves first curating a surrogate solution to an otherwise infeasible optimization problem and then designing a principle-guided reward function based on this surrogate. The final decoding policy is derived by maximizing this customized reward, which exploits the discrepancy between the constrained policy and its unconstrained counterpart. OPAD directly modifies the model’s predictions during inference, ensuring principle adherence without incurring the computational overhead of retraining or fine-tuning. Experiments show that OPAD achieves competitive or superior performance in both general and personalized alignment tasks, demonstrating its efficiency and effectiveness compared to state-of-the-art baselines.

Reinforcement Learning from Human Feedback (RLHF) has shown great potential in fine-tuning Large Language Models (LLMs) to align with human preferences. Existing methods perform preference alignment from a fixed dataset, which can be limited in data coverage and the resulting reward model is hard to generalize in out-of-distribution responses. Thus, online RLHF is more desirable to empower the LLM to explore outside the support of the initial dataset by iteratively collecting the prompt-response pairs. In this paper, we study the fundamental problem in online RLHF, i.e., how to explore for LLM. We give a theoretical motivation in linear reward assumption to show that an optimistic reward with an upper confidence bound (UCB) term leads to a provably efficient RLHF policy. Then, we reformulate our objective to direct preference optimization with an exploration term, where the UCB-term can be converted to a count-based exploration bonus. We further propose a practical algorithm, named Count-based Online Preference Optimization (COPO), which leverages a simple coin-flip counting module to estimate the pseudo-count of a prompt-response pair in previously collected data. COPO encourages LLMs to balance exploration and preference optimization in an iterative manner, which enlarges the exploration space and the entire data coverage of iterative LLM policies. We conduct online RLHF experiments on Zephyr and Llama-3 models. The results on instruction-following and standard academic benchmarks show that COPO significantly increases performance.

Inductive logic programming (ILP) is a machine learning approach aiming to learn explanatory rules from data. While existing ILP systems can successfully solve small-scale tasks, large-scale applications with various language biases are rarely explored. Besides, it is crucial for a large majority of current ILP systems to require expert-defined language bias, which hampers the development of ILP towards broader utilizations. In this paper, we introduce GeoILP, a large-scale synthetic dataset of diverse ILP tasks involving numerous aspects of language bias. These tasks are built from geometry problems, at the level from textbook exercise to regional International Mathematical Olympiad (IMO), with the help of a deduction engine. These problems are elaborately selected to cover all challenging language biases, such as recursion, predicate invention, and high arity. Experimental results show that no existing method can solve GeoILP tasks. In addition, along with classic symbolic-form data, we provide image-form data to boost the development of the joint learning of neural perception and symbolic rule induction.

Text classifiers suffer from small perturbations, that if chosen adversarially, can dramatically change the output of the model. Verification methods can provide robustness certificates against such adversarial perturbations, by computing a sound lower bound on the robust accuracy. Nevertheless, existing verification methods incur in prohibitive costs and cannot practically handle Levenshtein distance constraints. We propose the first method for computing the Lipschitz constant of convolutional classifiers with respect to the Levenshtein distance. We use these Lipschitz constant estimates for training 1-Lipschitz classifiers. This enables computing the certified radius of a classifier in a single forward pass. Our method, LipsLev, is able to obtain $38.80$% and $13.93$% verified accuracy at distance $1$ and $2$ respectively in the AG-News dataset, while being $4$ orders of magnitude faster than existing approaches. We believe our work can open the door to more efficient verification in the text domain.

We introduce a new benchmark for reward models that quantifies their ability to produce strong language models through RLHF (Reinforcement Learning from Human Feedback). The gold-standard approach is to run a full RLHF training pipeline and directly probe downstream LLM performance. However, this process is prohibitively expensive. To address this, we build a predictive model of downstream LLM performance by evaluating the reward model on proxy tasks. These proxy tasks consist of a large-scale human preference and a verifiable correctness preference dataset, in which we measure 12 metrics across 12 domains. To investigate which reward model metrics are most correlated to gold-standard RLHF outcomes, we launch an end-to-end RLHF experiment on a large-scale crowd-sourced human preference platform to view real reward model downstream performance as ground truth. Ultimately, we compile our data and findings into Preference Proxy Evaluations (PPE), the first reward model benchmark explicitly linked to post-RLHF real-world human preference performance, which we opensource for public use and further development at https://github.com/lmarena/PPE.

While transformers have been at the core of most recent advancements in sequence generative models, their computational cost remains quadratic in sequence length. Several subquadratic architectures have been proposed to address this computational issue. Some of them, including long convolution sequence models (LCSMs), such as Hyena, address this issue at training time but remain quadratic during inference. We propose a method for speeding up LCSMs' exact inference to quasilinear time, identify the key properties that make this possible, and propose a general framework that exploits these. Our approach, inspired by previous work on relaxed polynomial interpolation, is based on a tiling which helps decrease memory movement and share computation. It has the added benefit of allowing for almost complete parallelization across layers of the position-mixing part of the architecture. Empirically, we provide a proof of concept implementation for Hyena, which gets up to $7.8\times$ end-to-end improvement over standard inference by improving $110\times$ within the position-mixing part.

There are various measures of predictive uncertainty in the literature, but their relationships to each other remain unclear. This paper uses a decomposition of statistical pointwise risk into components associated with different sources of predictive uncertainty: namely, aleatoric uncertainty (inherent data variability) and epistemic uncertainty (model-related uncertainty). Together with Bayesian methods applied as approximations, we build a framework that allows one to generate different predictive uncertainty measures. We validate measures, derived from our framework on image datasets by evaluating its performance in detecting out-of-distribution and misclassified instances using the AUROC metric. The experimental results confirm that the measures derived from our framework are useful for the considered downstream tasks.

Knowledge distillation (KD) is a promising yet challenging model compression approach that transmits rich learning representations from robust but resource-demanding teacher models to efficient student models. Previous methods for image super-resolution (SR) are often tailored to specific teacher-student architectures, limiting their potential for improvement and hindering broader applications. This work presents a novel KD framework for SR models, the multi-granularity Mixture of Priors Knowledge Distillation (MiPKD), which can be universally applied to a wide range of architectures at both feature and block levels. The teacher’s knowledge is effectively integrated with the student's feature via the Feature Prior Mixer, and the reconstructed feature propagates dynamically in the training phase with the Block Prior Mixer. Extensive experiments illustrate the significance of the proposed MiPKD technique.

Low-rank decomposition has emerged as a vital tool for enhancing parameter efficiency in neural network architectures, gaining traction across diverse applications in machine learning. These techniques significantly lower the number of parameters, striking a balance between compactness and performance. However, a common challenge has been the compromise between parameter efficiency and the accuracy of the model, where reduced parameters often lead to diminished accuracy compared to their full-rank counterparts. In this work, we propose a novel theoretical framework that integrates a sinusoidal function within the low-rank decomposition process. This approach not only preserves the benefits of the parameter efficiency characteristic of low-rank methods but also increases the decomposition's rank, thereby enhancing model performance. Our method proves to be a plug in enhancement for existing low-rank models, as evidenced by its successful application in Vision Transformers (ViT), Large Language Models (LLMs), Neural Radiance Fields (NeRF) and 3D shape modelling.

Recent advancements in brain-computer interfaces (BCIs) and deep learning have made decoding lexical tones from intracranial recordings possible, providing the potential to restore the communication ability of speech-impaired tonal language speakers. However, data heterogeneity induced by both physiological and instrumental factors poses a significant challenge for unified invasive brain tone decoding. Particularly, the existing heterogeneous decoding paradigm (training subject-specific models with individual data) suffers from the intrinsic limitation that fails to learn generalized neural representations and leverages data across subjects. To this end, we introduce Homogeneity-Heterogeneity Disentangled Learning for Neural Representations (H2DiLR), a framework that disentangles and learns the homogeneity and heterogeneity from intracranial recordings of multiple subjects. To verify the effectiveness of H2DiLR, we collected stereoelectroencephalography (sEEG) from multiple participants reading Mandarin materials containing 407 syllables (covering nearly all Mandarin characters). Extensive experiments demonstrate that H2DiLR, as a unified decoding paradigm, outperforms the naive heterogeneous decoding paradigm by a large margin. We also empirically show that H2DiLR indeed captures homogeneity and heterogeneity during neural representation learning.

Large Language Models (LLMs) have achieved remarkable success at tasks like summarization that involve a single turn of interaction. However, they can still struggle with multi-turn tasks like dialogue that require long-term planning. Previous works on multi-turn dialogue extend single-turn reinforcement learning from human feedback (RLHF) methods to the multi-turn setting by treating all prior dialogue turns as a long context. Such approaches suffer from covariate shift: the conversations in the training set have previous turns generated by some reference policy, which means that low training error may not necessarily correspond to good performance when the learner is actually in the conversation loop. In response, we introduce REgressing the RELative FUture (REFUEL), an efficient policy optimization approach designed to address multi-turn RLHF in LLMs. REFUEL employs a single model to estimate $Q$-values and trains on self-generated data, addressing the covariate shift issue. REFUEL frames the multi-turn RLHF problem as a sequence of regression tasks on iteratively collected datasets, enabling ease of implementation. Theoretically, we prove that REFUEL can match the performance of any policy covered by the training set. Empirically, we evaluate our algorithm by using Llama-3.1-70B-it to simulate a user in conversation with our model. REFUEL consistently outperforms state-of-the-art methods such as DPO and REBEL across various settings. Furthermore, despite having only 8 billion parameters, Llama-3-8B-it fine-tuned with REFUEL outperforms Llama-3.1-70B-it on long multi-turn dialogues. Implementation of REFUEL can be found at https://github.com/ZhaolinGao/REFUEL/, and models trained by REFUEL can be found at https://huggingface.co/Cornell-AGI.

In distributed stochastic optimization, where parallel and asynchronous methods are employed, we establish optimal time complexities under virtually any computation behavior of workers/devices/CPUs/GPUs, capturing potential disconnections due to hardware and network delays, time-varying computation powers, and any possible fluctuations and trends of computation speeds. These real-world scenarios are formalized by our new universal computation model. Leveraging this model and new proof techniques, we discover tight lower bounds that apply to virtually all synchronous and asynchronous methods, including Minibatch SGD, Asynchronous SGD (Recht et al., 2011), and Picky SGD (Cohen et al., 2021). We show that these lower bounds, up to constant factors, are matched by the optimal Rennala SGD and Malenia SGD methods (Tyurin & Richtárik, 2023).

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. Recently, Jang et al. (2023) proposed a simpler approach to accelerate training based on weight nowcaster networks (WNNs). In their approach, Adam is used for most of the optimization steps and periodically, only every few steps, a WNN nowcasts (predicts near future) parameters. We improve WNNs by proposing neuron interaction and nowcasting (NiNo) networks. In contrast to WNNs, NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters. We further show that in some networks, such as Transformers, modeling neuron connectivity accurately is challenging. We address this and other limitations, which allows NiNo to accelerate Adam training by up to 50% in vision and language tasks.

Embodiment co-design aims to optimize a robot's morphology and control policy simultaneously. While prior work has demonstrated its potential for generating environment-adaptive robots, this field still faces persistent challenges in optimization efficiency due to the (i) combinatorial nature of morphological search spaces and (ii) intricate dependencies between morphology and control. We prove that the ineffective morphology representation and unbalanced reward signals between the design and control stages are key obstacles to efficiency. To advance towards efficient embodiment co-design, we propose **BodyGen**, which utilizes (1) topology-aware self-attention for both design and control, enabling efficient morphology representation with lightweight model sizes; (2) a temporal credit assignment mechanism that ensures balanced reward signals for optimization. With our findings, BodyGen achieves an average **60.03%** performance improvement against state-of-the-art baselines. We provide codes and more results on the website: https://genesisorigin.github.io.

Operator learning, which aims to approximate maps between infinite-dimensional function spaces, is an important area in scientific machine learning with applications across various physical domains. Here we introduce the Continuous Vision Transformer (CViT), a novel neural operator architecture that leverages advances in computer vision to address challenges in learning complex physical systems. CViT combines a vision transformer encoder, a novel grid-based coordinate embedding, and a query-wise cross-attention mechanism to effectively capture multi-scale dependencies. This design allows for flexible output representations and consistent evaluation at arbitrary resolutions. We demonstrate CViT's effectiveness across a diverse range of partial differential equation (PDE) systems, including fluid dynamics, climate modeling, and reaction-diffusion processes. Our comprehensive experiments show that CViT achieves state-of-the-art performance on multiple benchmarks, often surpassing larger foundation models, even without extensive pretraining and roll-out fine-tuning. Taken together, CViT exhibits robust handling of discontinuous solutions, multi-scale features, and intricate spatio-temporal dynamics. Our contributions can be viewed as a significant step towards adapting advanced computer vision architectures for building more flexible and accurate machine learning models in the physical sciences.

One core capability of large language models~(LLMs) is to follow natural language instructions. However, the issue of automatically constructing high-quality training data to enhance the complex instruction-following abilities of LLMs without manual annotation remains unresolved. In this paper, we introduce AutoIF, the first scalable and reliable method for automatically generating instruction-following training data. AutoIF transforms the validation of instruction-following data quality into code verification, requiring LLMs to generate instructions, the corresponding code to verify the correctness of the instruction responses, and unit test samples to cross-validate the code's correctness. Then, execution feedback-based rejection sampling can generate data for Supervised Fine-Tuning (SFT) and Reinforcement Learning from Human Feedback (RLHF) training. AutoIF achieves significant improvements across three training algorithms, SFT, Offline DPO, and Online DPO, when applied to the advanced open-source LLMs, Qwen2 and LLaMA3, in self-alignment and strong-to-weak distillation settings. Using two widely-used and three challenging general instruction-following benchmarks, we demonstrate that AutoIF significantly improves LLM performance across a wide range of natural instruction constraints. Notably, AutoIF is the first to surpass 90\% accuracy in IFEval’s loose instruction accuracy, without compromising general, math and coding capabilities. Further analysis of quality, scaling, combination, and data efficiency highlights AutoIF's strong generalization and alignment potential. Our code are available at https://github.com/QwenLM/AutoIF