ICLR 2025 Papers

Prompting Large Language Models (LLMs), or providing context on the expected model of operation, is an effective way to steer the outputs of such models to satisfy human desiderata after they have been trained. But in rapidly evolving domains, there is often need to fine-tune LLMs to improve either the kind of knowledge in their memory or their abilities to perform open ended reasoning in new domains. When human's learn new concepts, we often do so by linking the new material that we are studying to concepts we have already learned before. To that end, we ask, "can prompting help us teach LLMs how to learn". In this work, we study a novel generalization of instruction tuning, called contextual fine-tuning, to fine-tune LLMs. Our method leverages instructional prompts designed to mimic human cognitive strategies in learning and problem-solving to guide the learning process during training, aiming to improve the model’s interpretation and understanding of domain-specific knowledge. We empirically demonstrate that this simple yet effective modification improves the ability of LLMs to be fine-tuned rapidly on new datasets both within the medical and financial domains.

Large Language Models (LLMs) generate text by sampling the next token from a probability distribution over the vocabulary at each decoding step. Popular sampling methods like top-p (nucleus sampling) often struggle to balance quality and diversity, especially at higher temperatures which lead to incoherent or repetitive outputs. We propose min-p sampling, a dynamic truncation method that adjusts the sampling threshold based on the model's confidence by using the top token's probability as a scaling factor. Our experiments on benchmarks including GPQA, GSM8K, and AlpacaEval Creative Writing show that min-p sampling improves both the quality and diversity of generated text across different model families (Mistral and Llama 3) and model sizes (1B to 123B parameters), especially at higher temperatures. Human evaluations further show a clear preference for min-p sampling, in both text quality and creativity. Min-p sampling has been adopted by popular open-source LLM frameworks, including Hugging Face Transformers, VLLM, and many others, highlighting its considerable impact on improving text generation quality.

Large language models (LLMs) are often deployed to do constrained tasks, with narrow domains. For example, customer support bots can be built on top of LLMs, relying on their broad language understanding and capabilities to enhance performance. However, these LLMs are adversarially susceptible, potentially generating outputs outside the intended domain. To formalize, assess and mitigate this risk, we introduce domain certification; a guarantee that accurately characterizes the out-of-domain behavior of language models. We then propose a simple yet effective approach dubbed VALID that provides adversarial bounds as a certificate. Finally, we evaluate our method across a diverse set of datasets, demonstrating that it yields meaningful certificates.

Large Language Models (LLMs) such as GPT-4 and Llama3 have significantly impacted various fields by enabling high-quality synthetic data generation and reducing dependence on expensive human-generated datasets. Despite this, challenges remain in the areas of generalization, controllability, diversity, and truthfulness within the existing generative frameworks. To address these challenges, this paper presents DataGen, a comprehensive LLM-powered framework designed to produce diverse, accurate, and highly controllable datasets. DataGen is adaptable, supporting all types of text datasets and enhancing the generative process through innovative mechanisms. To augment data diversity, DataGen incorporates an attribute-guided generation module and a group checking feature. For accuracy, it employs a code-based mathematical assessment for label verification alongside a retrieval-augmented generation technique for factual validation. The framework also allows for user-specified constraints, enabling customization of the data generation process to suit particular requirements. Extensive experiments demonstrate the superior quality of data generated by DataGen, and each module within DataGen plays a critical role in this enhancement. Additionally, DataGen is applied in two practical scenarios: benchmarking LLMs and data augmentation. The results indicate that DataGen effectively supports dynamic and evolving benchmarking and that data augmentation improves LLM capabilities in various domains, including agent-oriented abilities and reasoning skills.

Fundamental mathematical constants appear in nearly every field of science, from physics to biology. Formulas that connect different constants often bring great insight by hinting at connections between previously disparate fields. Discoveries of such relations, however, have remained scarce events, relying on sporadic strokes of creativity by human mathematicians. Recent developments of algorithms for automated conjecture generation have accelerated the discovery of formulas for specific constants. Yet, the discovery of connections between constants has not been addressed. In this paper, we present the first library dedicated to mathematical constants and their interrelations. This library can serve as a central repository of knowledge for scientists from different areas, and as a collaborative platform for development of new algorithms. The library is based on a new representation that we propose for organizing the formulas of mathematical constants: a hypergraph, with each node representing a constant and each edge representing a formula. Using this representation, we propose and demonstrate a systematic approach for automatically enriching this library using PSLQ, an integer relation algorithm based on QR decomposition and lattice construction. During its development and testing, our strategy led to the discovery of 75 previously unknown connections between constants, including a new formula for the `first continued fraction' constant $C_1$, novel formulas for natural logarithms, and new formulas connecting $\pi$ and $e$. The latter formulas generalize a century-old relation between $\pi$ and $e$ by Ramanujan, which until now was considered a singular formula and is now found to be part of a broader mathematical structure. The code supporting this library is a public, open-source API that can serve researchers in experimental mathematics and other fields of science.

Understanding and modeling pedestrian movements in the real world is crucial for applications like motion forecasting and scene simulation. Many factors influence pedestrian movements, such as scene context, individual characteristics, and goals, which are often ignored by the existing human generation methods. Web videos contain natural pedestrian behavior and rich motion context, but annotating them with pre-trained predictors leads to noisy labels. In this work, we propose learning diverse pedestrian movements from web videos. We first curate a large-scale dataset called CityWalkers that captures diverse real-world pedestrian movements in urban scenes. Then, based on CityWalkers, we propose a generative model called PedGen for diverse pedestrian movement generation. PedGen introduces automatic label filtering to remove the low-quality labels and a mask embedding to train with partial labels. It also contains a novel context encoder that lifts the 2D scene context to 3D and can incorporate various context factors in generating realistic pedestrian movements in urban scenes. Experiments show that PedGen outperforms existing baseline methods for pedestrian movement generation by learning from noisy labels and incorporating the context factors. In addition, PedGen achieves zero-shot generalization in both real-world and simulated environments. The code, model, and data are available at https://genforce.github.io/PedGen/.

Neural networks are often challenging to work with due to their large size and complexity. To address this, various methods aim to reduce model size by sparsifying or decomposing weight matrices, such as magnitude pruning and low-rank or block-diagonal factorization. In this work, we present Double Sparse Factorization (DSF), where we factorize each weight matrix into two sparse matrices. Although solving this problem exactly is computationally infeasible, we propose an efficient heuristic based on alternating minimization via ADMM that achieves state-of-the-art results, enabling unprecedented sparsification of neural networks. For instance, in a one-shot pruning setting, our method can reduce the size of the LLaMA2-13B model by 50% while maintaining better performance than the dense LLaMA2-7B model. We also compare favorably with Optimal Brain Compression, the state-of-the-art layer-wise pruning approach for convolutional neural networks. Furthermore, accuracy improvements of our method persist even after further model fine-tuning. Code available at: https://github.com/usamec/double_sparse

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential for fully unlocking GNN's top performance, especially for complicated tasks such as node classification on large graphs and long-range graphs. This is usually associated with high computational and time costs and careful design of appropriate search spaces. This work introduces a graph-conditioned latent diffusion framework (GNN-Diff) to generate high-performing GNNs based on the model checkpoints of sub-optimal hyperparameters selected by a light-tuning coarse search. We validate our method through 166 experiments across four graph tasks: node classification on small, large, and long-range graphs, as well as link prediction. Our experiments involve 10 classic and state-of-the-art target models and 20 publicly available datasets. The results consistently demonstrate that GNN-Diff: (1) boosts the performance of GNNs with efficient hyperparameter tuning; and (2) presents high stability and generalizability on unseen data across multiple generation runs. The code is available at https://github.com/lequanlin/GNN-Diff.

Transformers have found extensive applications across various domains due to their powerful fitting capabilities. This success can be partially attributed to their inherent nonlinearity. Thus, in addition to the ReLU function employed in the original transformer architecture, researchers have explored alternative modules such as GeLU and SwishGLU to enhance nonlinearity and thereby augment representational capacity. In this paper, we propose a novel category of polynomial composition activations (PolyCom), designed to optimize the dynamics of transformers. Theoretically, we provide a comprehensive mathematical analysis of PolyCom, highlighting its enhanced expressivity and efficacy relative to other activation functions. Notably, we demonstrate that networks incorporating PolyCom achieve the **optimal approximation rate**, indicating that PolyCom networks require minimal parameters to approximate general smooth functions in Sobolev spaces. We conduct empirical experiments on the pre-training configurations of large language models (LLMs), including both dense and sparse architectures. By substituting conventional activation functions with PolyCom, we enable LLMs to capture higher-order interactions within the data, thus improving performance metrics in terms of accuracy and convergence rates. Extensive experimental results demonstrate the effectiveness of our method, showing substantial improvements over other activation functions. Code is available at https://github.com/BryceZhuo/PolyCom.

Large Language Models (LLMs) have become more prevalent in long-context applications such as interactive chatbots, document analysis, and agent workflows, but it is challenging to serve long-context requests with low latency and high throughput. Speculative decoding (SD) is a widely used technique to reduce latency losslessly, but the conventional wisdom suggests that its efficacy is limited to small batch sizes. In MagicDec, we show that surprisingly SD can achieve speedup even for a high throughput inference regime for moderate to long sequences. More interestingly, an intelligent drafting strategy can achieve better speedup with increasing batch size based on our rigorous analysis. MagicDec first identifies the bottleneck shifts with increasing batch size and sequence length, and uses these insights to deploy SD more effectively for high throughput inference. We leverage draft model with sparse KV cache to address the KV bottleneck, which scales with both sequence length and batch size. Additionally, we propose a theoretical model to select the optimal drafting strategy for maximum speedup. Our work highlights the broad applicability of speculative decoding in long-context serving, as it can enhance throughput and reduce latency without compromising accuracy. For moderate to long sequences, we demonstrate up to 2.51x speedup for LLaMA-3.1-8B when serving batch sizes ranging from 32 to 256 on various types of hardware and tasks.

Policy learning through behavior cloning poses significant challenges, particularly when demonstration data is limited. In this work, we present HyPoGen, a novel optimization-biased hypernetwork for policy generation. The proposed hypernetwork learns to synthesize optimal policy parameters solely from task specifications -- without accessing training data -- by modeling policy generation as an approximation of the optimization process executed over a finite number of steps and assuming these specifications serve as a sufficient representation of the demonstration data. By incorporating structural designs that bias the hypernetwork towards optimization, we can improve its generalization capability while only training on source task demonstrations. During the feed-forward prediction pass, the hypernetwork effectively performs an optimization in the latent (compressed) policy space, which is then decoded into policy parameters for action prediction. Experimental results on locomotion and manipulation benchmarks show that HyPoGen significantly outperforms state-of-the-art methods in generating policies for unseen target tasks without any demonstrations, achieving higher success rates and underscoring the potential of optimization-biased hypernetworks in advancing generalizable policy generation. Our code and data are available at: https://github.com/ReNginx/HyPoGen.

Humor is previously regarded as a gift exclusive to humans for the following reasons. Humor is a culturally nuanced aspect of human language, presenting challenges for its understanding and generation. Humor generation necessitates a multi-hop reasoning process, with each hop founded on proper rationales. Although many studies, such as those related to GPT-o1, focus on logical reasoning with reflection and correction, they still fall short in humor generation. Due to the sparsity of the knowledge graph in creative thinking, it is arduous to achieve multi-hop reasoning. Consequently, in this paper, we propose a more robust framework for addressing the humor reasoning task, named LoL. LoL aims to inject external information to mitigate the sparsity of the knowledge graph, thereby enabling multi-hop reasoning. In the first stage of LoL, we put forward an automatic instruction-evolution method to incorporate the deeper and broader thinking processes underlying humor. Judgment-oriented instructions are devised to enhance the model's judgment capability, dynamically supplementing and updating the sparse knowledge graph. Subsequently, through reinforcement learning, the reasoning logic for each online-generated response is extracted using GPT-4o. In this process, external knowledge is re-introduced to aid the model in logical reasoning and the learning of human preferences. Finally, experimental results indicate that the combination of these two processes can enhance both the model's judgment ability and its generative capacity. These findings deepen our comprehension of the creative capabilities of large language models (LLMs) and offer approaches to boost LLMs' creative abilities for cross-domain innovative applications.

We present Real2Code, a novel approach to reconstructing articulated objects via code generation. Given visual observations of an object, we first reconstruct its part geometry using image segmentation and shape completion. We represent these object parts with oriented bounding boxes, from which a fine-tuned large language model (LLM) predicts joint articulation as code. By leveraging pre-trained vision and language models, our approach scales elegantly with the number of articulated parts, and generalizes from synthetic training data to real world objects in unstructured environments. Experimental results demonstrate that Real2Code significantly outperforms the previous state-of-the-art in terms of reconstruction accuracy, and is the first approach to extrapolate beyond objects' structural complexity in the training set, as we show for objects with up to 10 articulated parts. When incorporated with a stereo reconstruction model, Real2Code moreover generalizes to real-world objects, given only a handful of multi-view RGB images and without the need for depth or camera information.

Compression is at the heart of intelligence. A theoretically optimal way to compress any sequence of data is to find the shortest program that outputs that sequence and then halts. However, such Kolmogorov compression is uncomputable, and code generating LLMs struggle to approximate this theoretical ideal, as it requires reasoning, planning and search capabilities beyond those of current models. In this work, we introduce the *KoLMogorov-Test* (KT), a compression-as-intelligence intelligence test for code generation LLMs. In KT a model is presented with a sequence of data at inference time, and asked to generate the shortest program that produces the sequence. We identify several benefits of KT for both evaluation and training: an essentially infinite number of problem instances of varying difficulty is readily available, strong baselines already exist, the evaluation metric (compression) cannot be gamed, and pretraining data contamination is highly unlikely. To evaluate current models, we use audio, text, and DNA data, as well as sequences produced by random synthetic programs. Current flagship models perform poorly - both GPT4-o and Llama-3.1-405B struggle on our natural and synthetic sequences. On our synthetic distribution, we are able to train code generation models with lower compression rates than previous approaches. Moreover, we show that gains on synthetic data generalize poorly to real data, suggesting that new innovations are necessary for additional gains on KT.

In-context learning (ICL) and Retrieval-Augmented Generation (RAG) have gained attention for their ability to enhance LLMs' reasoning by incorporating external knowledge but suffer from limited contextual window size, leading to insufficient information injection. To this end, we propose a novel framework to automatically distill large volumes of offline data into interpretable first-order logic rules, which are injected into LLMs to boost their reasoning capabilities. Our method begins by formulating the search process relying on LLMs' commonsense, where LLMs automatically define head and body predicates. Then, we apply Monte Carlo Tree Search (MCTS) to address the combinational searching space and efficiently discover logic rules from data. The resulting logic rules are translated into natural language, allowing targeted knowledge injection and seamless integration into LLM prompts for LLM's downstream task reasoning. We evaluate our framework on public and private industrial tasks, including Natural Language Processing (NLP), time-series, decision-making, and industrial tasks, demonstrating its effectiveness in enhancing LLM's capability over diverse tasks.

Text generation has a fundamental limitation almost by definition: there is no taking back tokens that have been generated, even when they are clearly problematic. In the context of language model safety, when a partial unsafe generation is produced, language models by their nature tend to happily keep on generating similarly unsafe additional text. This is in fact how safety alignment of frontier models gets circumvented in the wild, despite great efforts in improving their safety. Deviating from the paradigm of approaching safety alignment as prevention (decreasing the probability of harmful responses), we propose backtracking, a technique that allows language models to "undo" and recover from their own unsafe generation through the introduction of a special [RESET] token. Our method can be incorporated into either SFT or DPO training to optimize helpfulness and harmlessness. We show that models trained to backtrack are consistently safer than baseline models: backtracking Llama-3-8B is four times more safe than the baseline model (6.1\% $\to$ 1.5\%) in our evaluations without regression in helpfulness. Our method additionally provides protection against four adversarial attacks including an adaptive attack, despite not being trained to do so.

Large Language Models (LLMs) struggle with long-context reasoning, not only due to the quadratic scaling of computational complexity with sequence length but also because of the scarcity and expense of annotating long-context data. There has been barely any open-source work that systematically ablates long-context data, nor is there any openly available instruction tuning dataset with contexts surpassing 100K tokens. To bridge this gap, we introduce a novel post-training synthetic data generation strategy designed to efficiently extend the context window of LLMs while preserving their general task performance. Our approach scalably extends to arbitrarily long context lengths, unconstrained by the length of available real-world data, which effectively addresses the scarcity of raw long-context data. Through a step-by-step rotary position embedding (RoPE) scaling training strategy, we demonstrate that our model, with a context length of up to 1M tokens, performs well on the RULER benchmark and InfiniteBench and maintains robust performance on general language tasks.

State-of-the-art text-to-image (T2I) diffusion models often struggle to generate rare compositions of concepts, e.g., objects with unusual attributes. In this paper, we show that the compositional generation power of diffusion models on such rare concepts can be significantly enhanced by the Large Language Model (LLM) guidance. We start with empirical and theoretical analysis, demonstrating that exposing frequent concepts relevant to the target rare concepts during the diffusion sampling process yields more accurate concept composition. Based on this, we propose a training-free approach, R2F, that plans and executes the overall rare-to-frequent concept guidance throughout the diffusion inference by leveraging the abundant semantic knowledge in LLMs. Our framework is flexible across any pre-trained diffusion models and LLMs, and can be seamlessly integrated with the region-guided diffusion approaches. Extensive experiments on three datasets, including our newly proposed benchmark, RareBench, containing various prompts with rare compositions of concepts, R2F significantly surpasses existing models including SD3.0 and FLUX by up to 28.1%p in T2I alignment. Code is available at https://github.com/krafton-ai/Rare-to-Frequent.

Autoregressive (AR) models have reformulated image generation as next-token prediction, demonstrating remarkable potential and emerging as strong competitors to diffusion models. However, control-to-image generation, akin to ControlNet, remains largely unexplored within AR models. Although a natural approach, inspired by advancements in Large Language Models, is to tokenize control images into tokens and prefill them into the autoregressive model before decoding image tokens, it still falls short in generation quality compared to ControlNet and suffers from inefficiency. To this end, we introduce ControlAR, an efficient and effective framework for integrating spatial controls into autoregressive image generation models. Firstly, we explore control encoding for AR models and propose a lightweight control encoder to transform spatial inputs (e.g., canny edges or depth maps) into control tokens. Then ControlAR exploits the conditional decoding method to generate the next image token conditioned on the per-token fusion between control and image tokens, similar to positional encodings. Compared to prefilling tokens, using conditional decoding significantly strengthens the control capability of AR models but also maintains the model efficiency. Furthermore, the proposed ControlAR surprisingly empowers AR models with arbitrary-resolution image generation via conditional decoding and specific controls. Extensive experiments can demonstrate the controllability of the proposed ControlAR for the autoregressive control-to-image generation across diverse inputs, including edges, depths, and segmentation masks. Furthermore, both quantitative and qualitative results indicate that ControlAR surpasses previous state-of-the-art controllable diffusion models, e.g., ControlNet++.