ICLR 2025 Papers

We propose RelitLRM, a Large Reconstruction Model (LRM) for generating high-quality Gaussian splatting representations of 3D objects under novel illuminations from sparse (4-8) posed images captured under unknown static lighting. Unlike prior inverse rendering methods requiring dense captures and slow optimization, often causing artifacts like incorrect highlights or shadow baking, RelitLRM adopts a feed-forward transformer-based model with a novel combination of a geometry reconstructor and a relightable appearance generator based on diffusion. The model is trained end-to-end on synthetic multi-view renderings of objects under varying known illuminations. This architecture design enables to effectively decompose geometry and appearance, resolve the ambiguity between material and lighting, and capture the multi-modal distribution of shadows and specularity in the relit appearance. We show our sparse-view feed-forward RelitLRM offers competitive relighting results to state-of-the-art dense-view optimization-based baselines while being significantly faster. Our project page is available at: https://relit-lrm.github.io/.

Generative modeling of single-cell RNA-seq data is crucial for tasks like trajectory inference, batch effect removal, and simulation of realistic cellular data. However, recent deep generative models simulating synthetic single cells from noise operate on pre-processed continuous gene expression approximations, overlooking the discrete nature of single-cell data, which limits their effectiveness and hinders the incorporation of robust noise models. Additionally, aspects like controllable multi-modal and multi-label generation of cellular data remain underexplored. This work introduces CellFlow for Generation (CFGen), a flow-based conditional generative model that preserves the inherent discreteness of single-cell data. CFGen reliably generates whole-genome, multi-modal, single-cell data, improving the recovery of crucial biological data characteristics while tackling relevant generative tasks such as rare cell type augmentation and batch correction. We also introduce a novel framework for compositional data generation using Flow Matching. By showcasing CFGen on a diverse set of biological datasets and settings, we provide evidence of its value to the fields of computational biology and deep generative models.

Dataset distillation (DD) has emerged as a widely adopted technique for crafting a synthetic dataset that captures the essential information of a training dataset, facilitating the training of accurate neural models. Its applications span various domains, including transfer learning, federated learning, and neural architecture search. The most popular methods for constructing the synthetic data rely on matching the convergence properties of training the model with the synthetic dataset and the training dataset. However, using the empirical loss as the criterion must be thought of as auxiliary in the same sense that the training set is an approximate substitute for the population distribution, and the latter is the data of interest. Yet despite its popularity, an aspect that remains unexplored is the relationship of DD to its generalization, particularly across uncommon subgroups. That is, how can we ensure that a model trained on the synthetic dataset performs well when faced with samples from regions with low population density? Here, the representativeness and coverage of the dataset become salient over the guaranteed training error at inference. Drawing inspiration from distributionally robust optimization, we introduce an algorithm that combines clustering with the minimization of a risk measure on the loss to conduct DD. We provide a theoretical rationale for our approach and demonstrate its effective generalization and robustness across subgroups through numerical experiments.

Planning with options -- a sequence of primitive actions -- has been shown effective in reinforcement learning within complex environments. Previous studies have focused on planning with predefined options or learned options through expert demonstration data. Inspired by MuZero, which learns superhuman heuristics without any human knowledge, we propose a novel approach, named *OptionZero*. OptionZero incorporates an *option network* into MuZero, providing autonomous discovery of options through self-play games. Furthermore, we modify the dynamics network to provide environment transitions when using options, allowing searching deeper under the same simulation constraints. Empirical experiments conducted in 26 Atari games demonstrate that OptionZero outperforms MuZero, achieving a 131.58% improvement in mean human-normalized score. Our behavior analysis shows that OptionZero not only learns options but also acquires strategic skills tailored to different game characteristics. Our findings show promising directions for discovering and using options in planning. Our code is available at https://rlg.iis.sinica.edu.tw/papers/optionzero.

Recent advancements in large language models (LLMs) have driven a revolutionary paradigm shift in process automation from Robotic Process Automation to Agentic Process Automation by automating the workflow orchestration procedure based on LLMs. However, existing LLMs (even the advanced OpenAI GPT-4o) are confined to achieving satisfactory capability in workflow orchestration. To address this limitation, we present WorkflowLLM, a data-centric framework elaborately designed to enhance the capability of LLMs in workflow orchestration. It first constructs a large-scale fine-tuning dataset WorkflowBench with 106, 763 samples, covering 1, 503 APIs from 83 applications across 28 categories. Specifically, the construction process can be divided into three phases: (1) Data Collection: we collect real-world workflow data from Apple Shortcuts and RoutineHub, transcribing them into Python-style code. We further equip them with generated hierarchical thought via GPT-4o-mini. (2) Query Expansion: we prompt GPT-4o-mini to generate more task queries to enrich the diversity and complexity of workflows. (3) Workflow Generation: we leverage an annotator model trained on collected data to generate workflows for synthesized queries. Finally, we merge the synthetic samples that pass quality confirmation with the collected samples to obtain the WorkflowBench. Based on WorkflowBench, we fine-tune Llama-3.1-8B to obtain WorkflowLlama. Our experiments show that WorkflowLlama demonstrates a strong capacity to orchestrate complex workflows, while also achieving notable generalization performance on previously unseen APIs. Additionally, WorkflowBench exhibits robust zero-shot generalization capabilities on an out-of-distribution task planning dataset, T-Eval. Our data and code are available at https://github.com/OpenBMB/WorkflowLLM.

Recent advances in large language models (LLMs) have led to a growing interest in developing LLM-based agents for automating web tasks. However, these agents often struggle with even simple tasks on real-world websites due to their limited capability to understand and process complex web page structures. In this work, we introduce LCoW, a framework for Learning language models to Contextualize complex Web pages into a more comprehensible form, thereby enhancing decision making by LLM agents. LCoW decouples web page understanding from decision making by training a separate contextualization module to transform complex web pages into comprehensible format, which are then utilized by the decision-making agent. We demonstrate that our contextualization module effectively integrates with LLM agents of various scales to significantly enhance their decision-making capabilities in web automation tasks. Notably, LCoW improves the success rates of closed-source LLMs (e.g., Gemini-1.5-flash, GPT-4o, Claude-3.5-Sonnet) by an average of 15.6%, and demonstrates a 23.7% average improvement in success rates for open-source LMs (e.g., Llama-3.1-8B, Llama-3.1-70B) on the WorkArena benchmark. Moreover, the Gemini-1.5-flash agent with LCoW achieves state-of-the-art results on the WebShop benchmark, outperforming human experts. The relevant code materials are available at our project page: https://lcowiclr2025.github.io.

Recently, large-scale diffusion models have made impressive progress in text-to-image (T2I) generation. To further equip these T2I models with fine-grained spatial control, approaches like ControlNet introduce an extra network that learns to follow a condition image. However, for every single condition type, ControlNet requires independent training on millions of data pairs with hundreds of GPU hours, which is quite expensive and makes it challenging for ordinary users to explore and develop new types of conditions. To address this problem, we propose the CtrLoRA framework, which trains a Base ControlNet to learn the common knowledge of image-to-image generation from multiple base conditions, along with condition-specific LoRAs to capture distinct characteristics of each condition. Utilizing our pretrained Base ControlNet, users can easily adapt it to new conditions, requiring as few as 1,000 data pairs and less than one hour of single-GPU training to obtain satisfactory results in most scenarios. Moreover, our CtrLoRA reduces the learnable parameters by 90% compared to ControlNet, significantly lowering the threshold to distribute and deploy the model weights. Extensive experiments on various types of conditions demonstrate the efficiency and effectiveness of our method. Codes and model weights will be released at https://github.com/xyfJASON/ctrlora.

LLM-as-a-Judge has been widely utilized as an evaluation method in various benchmarks and served as supervised rewards in model training. However, despite their excellence in many domains, potential issues are under-explored, undermining their reliability and the scope of their utility. Therefore, we identify 12 key potential biases and propose a new automated bias quantification framework—CALM—which systematically quantifies and analyzes each type of bias in LLM-as-a-Judge by using automated and principle-guided modification. Our experiments cover multiple popular language models, and the results indicate that while advanced models have achieved commendable overall performance, significant biases persist in certain specific tasks. Empirical results suggest that there remains room for improvement in the reliability of LLM-as-a-Judge. Moreover, we also discuss the explicit and implicit influence of these biases and give some suggestions for the reliable application of LLM-as-a-Judge. Our work highlights the need for stakeholders to address these issues and remind users to exercise caution in LLM-as-a-Judge applications.

Predicting the impact of genomic and drug perturbations in cellular function is crucial for understanding gene functions and drug effects, ultimately leading to improved therapies. To this end, Causal Representation Learning (CRL) constitutes one of the most promising approaches, as it aims to identify the latent factors that causally govern biological systems, thus facilitating the prediction of the effect of unseen perturbations. Yet, current CRL methods fail in reconciling their principled latent representations with known biological processes, leading to models that are not interpretable. To address this major issue, in this work we present SENA-discrepancy-VAE, a model based on the recently proposed CRL method discrepancy-VAE, that produces representations where each latent factor can be interpreted as the (linear) combination of the activity of a (learned) set of biological processes. To this extent, we present an encoder, SENA-$\delta$, that efficiently compute and map biological processes' activity levels to the latent causal factors. We show that SENA-discrepancy-VAE achieves predictive performances on unseen combinations of interventions that are comparable with its original, non-interpretable counterpart, while inferring causal latent factors that are biologically meaningful.

Memorization in language models is typically treated as a homogenous phenomenon, neglecting the specifics of the memorized data. We instead model memorization as the effect of a set of complex factors that describe each sample and relate it to the model and corpus. To build intuition around these factors, we break memorization down into a taxonomy: recitation of highly duplicated sequences, reconstruction of inherently predictable sequences, and recollection of sequences that are neither. We demonstrate the usefulness of our taxonomy by using it to construct a predictive model for memorization. By analyzing dependencies and inspecting the weights of the predictive model, we find that different factors have different influences on the likelihood of memorization depending on the taxonomic category.

Text-to-image (T2I) diffusion models have demonstrated impressive image generation capabilities. Still, their computational intensity prohibits resource-constrained organizations from deploying T2I models after fine-tuning them on their internal *target* data. While pruning techniques offer a potential solution to reduce the computational burden of T2I models, static pruning methods use the same pruned model for all input prompts, overlooking the varying capacity requirements of different prompts. Dynamic pruning addresses this issue by utilizing a separate sub-network for each prompt, but it prevents batch parallelism on GPUs. To overcome these limitations, we introduce Adaptive Prompt-Tailored Pruning (APTP), a novel prompt-based pruning method designed for T2I diffusion models. Central to our approach is a *prompt router* model, which learns to determine the required capacity for an input text prompt and routes it to an architecture code, given a total desired compute budget for prompts. Each architecture code represents a specialized model tailored to the prompts assigned to it, and the number of codes is a hyperparameter. We train the prompt router and architecture codes using contrastive learning, ensuring that similar prompts are mapped to nearby codes. Further, we employ optimal transport to prevent the codes from collapsing into a single one. We demonstrate APTP's effectiveness by pruning Stable Diffusion (SD) V2.1 using CC3M and COCO as *target* datasets. APTP outperforms the single-model pruning baselines in terms of FID, CLIP, and CMMD scores. Our analysis of the clusters learned by APTP reveals they are semantically meaningful. We also show that APTP can automatically discover previously empirically found challenging prompts for SD, *e.g.,* prompts for generating text images, assigning them to higher capacity codes.

Current benchmarks like ``$\textit{Needle-in-a-Haystack}$'' ($\textit{NIAH}$), $\textit{Ruler}$, and $\textit{Needlebench}$ focus on models' ability to understand long-context input sequences but fail to capture a critical dimension: the generation of high-quality long-form text. Applications such as design proposals, technical documentation, and creative writing rely on coherent, instruction-following outputs over extended sequences—a challenge that existing benchmarks do not adequately address. To fill this gap, we introduce $\textit{LongGenBench}$, a novel benchmark designed to rigorously evaluate large language models' (LLMs) ability to generate long text while adhering to complex instructions. Through tasks requiring specific events or constraints within generated text, $\textit{LongGenBench}$ evaluates model performance across four distinct scenarios, three instruction types, and two generation-lengths (16K and 32K tokens). Our evaluation of ten state-of-the-art LLMs reveals that, despite strong results on $\textit{Ruler}$, all models struggled with long text generation on $\textit{LongGenBench}$, particularly as text length increased. This suggests that current LLMs are not yet equipped to meet the demands of real-world, long-form text generation. We open-source $\textit{LongGenBench}$ to promote comprehensive evaluation and improvement in this critical area, with code and data available at ${anonymousurl}$.

Contrastive Language-Image Pre-training (CLIP) excels in global alignment with language but exhibits limited sensitivity to spatial information, leading to strong performance in zero-shot classification tasks but underperformance in tasks requiring precise spatial understanding. Recent approaches have introduced Region-Language Alignment (RLA) to enhance CLIP's performance in dense multimodal tasks by aligning regional visual representations with corresponding text inputs. However, we find that CLIP ViTs fine-tuned with RLA suffer from notable loss in spatial awareness, which is crucial for dense prediction tasks. To address this, we propose the Spatial Correlation Distillation (SCD) framework, which preserves CLIP's inherent spatial structure and mitigates above degradation. To further enhance spatial correlations, we introduce a lightweight Refiner that extracts refined correlations directly from CLIP before feeding them into SCD, based on an intriguring finding that CLIP naturally capture high-quality dense features. Together, these components form a robust distillation framework that enables CLIP ViTs to integrate both visual-language and visual-centric improvements, achieving state-of-the-art results across various open-vocabulary dense prediction benchmarks.

Off-policy learning enables a reinforcement learning (RL) agent to reason counterfactually about policies that are not executed and is one of the most important ideas in RL. It, however, can lead to instability when combined with function approximation and bootstrapping, two arguably indispensable ingredients for large-scale reinforcement learning. This is the notorious deadly triad. The seminal work Sutton et al. (2008) pioneers Gradient Temporal Difference learning (GTD) as the first solution to the deadly triad, which has enjoyed massive success thereafter. During the derivation of GTD, some intermediate algorithm, called $A^\top$TD, was invented but soon deemed inferior. In this paper, we revisit this $A^\top$TD and prove that a variant of $A^\top$TD, called $A_t^\top$TD, is also an effective solution to the deadly triad. Furthermore, this $A_t^\top$TD only needs one set of parameters and one learning rate. By contrast, GTD has two sets of parameters and two learning rates, making it hard to tune in practice. We provide asymptotic analysis for $A^\top_t$TD and finite sample analysis for a variant of $A^\top_t$TD that additionally involves a projection operator. The convergence rate of this variant is on par with the canonical on-policy temporal difference learning.

Spatiotemporal dynamics models are fundamental for various domains, from heat propagation in materials to oceanic and atmospheric flows. However, currently available neural network-based spatiotemporal modeling approaches fall short when faced with data that is collected randomly over time and space, as is often the case with sensor networks in real-world applications like crowdsourced earthquake detection or pollution monitoring. In response, we developed a new method that can effectively learn spatiotemporal dynamics from such point process observations. Our model integrates techniques from neural differential equations, neural point processes, implicit neural representations and amortized variational inference to model both the dynamics of the system and the probabilistic locations and timings of observations. It outperforms existing methods on challenging spatiotemporal datasets by offering substantial improvements in predictive accuracy and computational efficiency, making it a useful tool for modeling and understanding complex dynamical systems observed under realistic, unconstrained conditions.

Natural language is composed of words, but modern large language models (LLMs) process sub-words as input. A natural question raised by this discrepancy is whether LLMs encode words internally, and if so how. We present evidence that LLMs engage in an intrinsic detokenization process, where subword sequences are combined into coherent whole-word representations at their last token. Our experiments show that this process primarily takes place within the early and middle layers of the model. We further demonstrate its robustness to arbitrary splits (e.g., “cats” to “ca” and “ts”), typos, and importantly—to out-of-vocabulary words: when feeding the last token internal representations of such words to the model as input, it can “understand” them as the complete word despite never seeing such representations as input during training. Our findings suggest that LLMs maintain a latent vocabulary beyond the tokenizer’s scope. These insights provide a practical, finetuning-free application for expanding the vocabulary of pre-trained models. By enabling the addition of new vocabulary words, we reduce input length and inference iterations, which reduces both space and model latency, with little to no loss in model accuracy.

Decoder-only Transformers often struggle with complex reasoning tasks, particularly arithmetic reasoning requiring multiple sequential operations. In this work, we identify representation collapse in the model’s intermediate layers as a key factor limiting their reasoning capabilities. To address this, we propose Sequential Variance-Covariance Regularization (Seq-VCR), which enhances the entropy of intermediate representations and prevents collapse. Combined with dummy pause tokens as substitutes for chain-of-thought (CoT) tokens, our method significantly improves performance in arithmetic reasoning problems. In the challenging 5 × 5 integer multiplication task, our approach achieves 99.5% exact match accuracy, outperforming models of the same size (which yield 0% accuracy) and GPT-4 with five-shot CoT prompting (44%). We also demonstrate superior results on arithmetic expression and longest increasing subsequence (LIS) datasets. Our findings highlight the importance of preventing intermediate layer representation collapse to enhance the reasoning capabilities of Transformers and show that Seq-VCR offers an effective solution without requiring explicit CoT supervision.

Will a Visual Language Model (VLM)-based bot warn us about slipping if it detects a wet floor? Recent VLMs have demonstrated impressive capabilities, yet their ability to infer outcomes and causes remains underexplored. To address this, we introduce NL-Eye, a benchmark designed to assess VLMs' visual abductive reasoning skills. NL-Eye adapts the abductive Natural Language Inference (NLI) task to the visual domain, requiring models to evaluate the plausibility of hypothesis images based on a premise image and explain their decisions. NL-Eye consists of 350 carefully curated triplet examples (1,050 images) spanning diverse reasoning categories: physical, functional, logical, emotional, cultural, and social. The data curation process involved two steps—writing textual descriptions and generating images using text-to-image models, both requiring substantial human involvement to ensure high-quality and challenging scenes. Our experiments show that VLMs struggle significantly on NL-Eye, often performing at random baseline levels, while humans excel in both plausibility prediction and explanation quality. This demonstrates a deficiency in the abductive reasoning capabilities of modern VLMs. NL-Eye represents a crucial step toward developing VLMs capable of robust multimodal reasoning for real-world applications, including accident-prevention bots and generated video verification.

Vector quantization is a fundamental technique for compression and large-scale nearest neighbor search. For high-accuracy operating points, multi-codebook quantization associates data vectors with one element from each of multiple codebooks. An example is residual quantization (RQ), which iteratively quantizes the residual error of previous steps. Dependencies between the different parts of the code are, however, ignored in RQ, which leads to suboptimal rate-distortion performance. Qinco recently addressed this inefficiency by using a neural network to determine the quantization codebook in RQ based on the vector reconstruction from previous steps. In this paper we introduce Qinco2 which extends and improves Qinco with (i) improved vector encoding using codeword pre-selection and beam-search, (ii) a fast approximate decoder leveraging codeword pairs to establish accurate short-lists for search, and (iii) an optimized training procedure and network architecture. We conduct experiments on four datasets to evaluate Qinco2 for vector compression and billion-scale nearest neighbor search. We obtain outstanding results in both settings, improving the state-of-the-art reconstruction MSE by 44% for 16-byte vector compression on BigANN, and search accuracy by 24% with 8-byte encodings on Deep1M.