Daily Papers

In this paper, we present Co-scale conv-attentional image Transformers (CoaT), a Transformer-based image classifier equipped with co-scale and conv-attentional mechanisms. First, the co-scale mechanism maintains the integrity of Transformers' encoder branches at individual scales, while allowing representations learned at different scales to effectively communicate with each other; we design a series of serial and parallel blocks to realize the co-scale mechanism. Second, we devise a conv-attentional mechanism by realizing a relative position embedding formulation in the factorized attention module with an efficient convolution-like implementation. CoaT empowers image Transformers with enriched multi-scale and contextual modeling capabilities. On ImageNet, relatively small CoaT models attain superior classification results compared with similar-sized convolutional neural networks and image/vision Transformers. The effectiveness of CoaT's backbone is also illustrated on object detection and instance segmentation, demonstrating its applicability to downstream computer vision tasks.

Many recent studies leverage the pre-trained CLIP for text-video cross-modal retrieval by tuning the backbone with additional heavy modules, which not only brings huge computational burdens with much more parameters, but also leads to the knowledge forgetting from upstream models. In this work, we propose the VoP: Text-Video Co-operative Prompt Tuning for efficient tuning on the text-video retrieval task. The proposed VoP is an end-to-end framework with both video & text prompts introducing, which can be regarded as a powerful baseline with only 0.1% trainable parameters. Further, based on the spatio-temporal characteristics of videos, we develop three novel video prompt mechanisms to improve the performance with different scales of trainable parameters. The basic idea of the VoP enhancement is to model the frame position, frame context, and layer function with specific trainable prompts, respectively. Extensive experiments show that compared to full fine-tuning, the enhanced VoP achieves a 1.4% average R@1 gain across five text-video retrieval benchmarks with 6x less parameter overhead. The code will be available at https://github.com/bighuang624/VoP.

Scale has become a main ingredient in obtaining strong machine learning models. As a result, understanding a model's scaling properties is key to effectively designing both the right training setup as well as future generations of architectures. In this work, we argue that scale and training research has been needlessly complex due to reliance on the cosine schedule, which prevents training across different lengths for the same model size. We investigate the training behavior of a direct alternative - constant learning rate and cooldowns - and find that it scales predictably and reliably similar to cosine. Additionally, we show that stochastic weight averaging yields improved performance along the training trajectory, without additional training costs, across different scales. Importantly, with these findings we demonstrate that scaling experiments can be performed with significantly reduced compute and GPU hours by utilizing fewer but reusable training runs.

Earth Observation (EO) data are increasingly used in policy analysis by enabling granular estimation of treatment effects. However, a challenge in EO-based causal inference lies in balancing the trade-off between capturing fine-grained individual heterogeneity and broader contextual information. This paper introduces Multi-scale Concatenation, a family of composable procedures that transform arbitrary single-scale CATE estimation algorithms into multi-scale algorithms. We benchmark the performance of Multi-scale Concatenation on a CATE estimation pipeline combining Vision Transformer (ViT) models fine-tuned on satellite images to encode images of different scales with Causal Forests to obtain the final CATE estimate. We first perform simulation studies, showing how a multi-scale approach captures multi-level dynamics that single-scale ViT models fail to capture. We then apply the multi-scale method to two randomized controlled trials (RCTs) conducted in Peru and Uganda using Landsat satellite imagery. In the RCT analysis, the Rank Average Treatment Effect Ratio (RATE Ratio) measure is employed to assess performance without ground truth individual treatment effects. Results indicate that Multi-scale Concatenation improves the performance of deep learning models in EO-based CATE estimation without the complexity of designing new multi-scale architectures for a specific use case.

With recent advances in Large Language Models (LLMs), Agentic AI has become phenomenal in real-world applications, moving toward multiple LLM-based agents to perceive, learn, reason, and act collaboratively. These LLM-based Multi-Agent Systems (MASs) enable groups of intelligent agents to coordinate and solve complex tasks collectively at scale, transitioning from isolated models to collaboration-centric approaches. This work provides an extensive survey of the collaborative aspect of MASs and introduces an extensible framework to guide future research. Our framework characterizes collaboration mechanisms based on key dimensions: actors (agents involved), types (e.g., cooperation, competition, or coopetition), structures (e.g., peer-to-peer, centralized, or distributed), strategies (e.g., role-based or model-based), and coordination protocols. Through a review of existing methodologies, our findings serve as a foundation for demystifying and advancing LLM-based MASs toward more intelligent and collaborative solutions for complex, real-world use cases. In addition, various applications of MASs across diverse domains, including 5G/6G networks, Industry 5.0, question answering, and social and cultural settings, are also investigated, demonstrating their wider adoption and broader impacts. Finally, we identify key lessons learned, open challenges, and potential research directions of MASs towards artificial collective intelligence.

The recent rapid progress in (self) supervised learning models is in large part predicted by empirical scaling laws: a model's performance scales proportionally to its size. Analogous scaling laws remain elusive for reinforcement learning domains, however, where increasing the parameter count of a model often hurts its final performance. In this paper, we demonstrate that incorporating Mixture-of-Expert (MoE) modules, and in particular Soft MoEs (Puigcerver et al., 2023), into value-based networks results in more parameter-scalable models, evidenced by substantial performance increases across a variety of training regimes and model sizes. This work thus provides strong empirical evidence towards developing scaling laws for reinforcement learning.

Scaling laws play an instrumental role in the sustainable improvement in model quality. Unfortunately, recommendation models to date do not exhibit such laws similar to those observed in the domain of large language models, due to the inefficiencies of their upscaling mechanisms. This limitation poses significant challenges in adapting these models to increasingly more complex real-world datasets. In this paper, we propose an effective network architecture based purely on stacked factorization machines, and a synergistic upscaling strategy, collectively dubbed Wukong, to establish a scaling law in the domain of recommendation. Wukong's unique design makes it possible to capture diverse, any-order of interactions simply through taller and wider layers. We conducted extensive evaluations on six public datasets, and our results demonstrate that Wukong consistently outperforms state-of-the-art models quality-wise. Further, we assessed Wukong's scalability on an internal, large-scale dataset. The results show that Wukong retains its superiority in quality over state-of-the-art models, while holding the scaling law across two orders of magnitude in model complexity, extending beyond 100 Gflop or equivalently up to GPT-3/LLaMa-2 scale of total training compute, where prior arts fall short.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

We study the effects of H2O on CO2 adsorption in an amine-appended variant of the metal-organic framework Mg2(dobpdc), which is known to exhibit chaining behavior that presents in a step-shaped adsorption isotherm. We first show how the presence of different levels of local H2O affects this chaining behavior and the energetics of CO2 adsorption, based on a series of ab initio calculations, giving insight into the atomic-scale environment. In particular, we predict a novel adsorbed configuration, in which H2O and CO2 intertwine to make a braided chain down the MOF pore. We then show how an existing lattice model can be adapted to incorporate the effect of water, and predict the CO2 isotherms for the various water levels, observing a sharp shift the uptake at low partial pressures. In addition to the physical further work on this and related materials.

The performance of embodied agents has been shown to improve by increasing model parameters, dataset size, and compute. This has been demonstrated in domains from robotics to video games, when generative learning objectives on offline datasets (pre-training) are used to model an agent's behavior (imitation learning) or their environment (world modeling). This paper characterizes the role of scale in these tasks more precisely. Going beyond the simple intuition that `bigger is better', we show that the same types of power laws found in language modeling (e.g. between loss and optimal model size), also arise in world modeling and imitation learning. However, the coefficients of these laws are heavily influenced by the tokenizer, task \& architecture -- this has important implications on the optimal sizing of models and data.

As we scale to more massive machine learning models, the frequent synchronization demands inherent in data-parallel approaches create significant slowdowns, posing a critical challenge to further scaling. Recent work develops an approach (DiLoCo) that relaxes synchronization demands without compromising model quality. However, these works do not carefully analyze how DiLoCo's behavior changes with model size. In this work, we study the scaling law behavior of DiLoCo when training LLMs under a fixed compute budget. We focus on how algorithmic factors, including number of model replicas, hyperparameters, and token budget affect training in ways that can be accurately predicted via scaling laws. We find that DiLoCo scales both predictably and robustly with model size. When well-tuned, DiLoCo scales better than data-parallel training with model size, and can outperform data-parallel training even at small model sizes. Our results showcase a more general set of benefits of DiLoCo than previously documented, including increased optimal batch sizes, improved downstream generalization with scale, and improved evaluation loss for a fixed token budget.

Pioneering advancements in large language model-powered agents have underscored the design pattern of multi-agent collaboration, demonstrating that collective intelligence can surpass the capabilities of each individual. Inspired by the neural scaling law, which posits that increasing neurons leads to emergent abilities, this study investigates whether a similar principle applies to increasing agents in multi-agent collaboration. Technically, we propose multi-agent collaboration networks (MacNet), which utilize directed acyclic graphs to organize agents and streamline their interactive reasoning via topological ordering, with solutions derived from their dialogues. Extensive experiments show that MacNet consistently outperforms baseline models, enabling effective agent collaboration across various network topologies and supporting cooperation among more than a thousand agents. Notably, we observed a small-world collaboration phenomenon, where topologies resembling small-world properties achieved superior performance. Additionally, we identified a collaborative scaling law, indicating that normalized solution quality follows a logistic growth pattern as scaling agents, with collaborative emergence occurring much earlier than previously observed instances of neural emergence. The code and data will be available at https://github.com/OpenBMB/ChatDev.

Predictable behavior from scaling advanced AI systems is an extremely desirable property. Although a well-established literature exists on how pretraining performance scales, the literature on how particular downstream capabilities scale is significantly muddier. In this work, we take a step back and ask: why has predicting specific downstream capabilities with scale remained elusive? While many factors are certainly responsible, we identify a new factor that makes modeling scaling behavior on widely used multiple-choice question-answering benchmarks challenging. Using five model families and twelve well-established multiple-choice benchmarks, we show that downstream performance is computed from negative log likelihoods via a sequence of transformations that progressively degrade the statistical relationship between performance and scale. We then reveal the mechanism causing this degradation: downstream metrics require comparing the correct choice against a small number of specific incorrect choices, meaning accurately predicting downstream capabilities requires predicting not just how probability mass concentrates on the correct choice with scale, but also how probability mass fluctuates on specific incorrect choices with scale. We empirically study how probability mass on the correct choice co-varies with probability mass on incorrect choices with increasing compute, suggesting that scaling laws for incorrect choices might be achievable. Our work also explains why pretraining scaling laws are commonly regarded as more predictable than downstream capabilities and contributes towards establishing scaling-predictable evaluations of frontier AI models.

This study evaluates and extends the findings made by Piatti et al., who introduced GovSim, a simulation framework designed to assess the cooperative decision-making capabilities of large language models (LLMs) in resource-sharing scenarios. By replicating key experiments, we validate claims regarding the performance of large models, such as GPT-4-turbo, compared to smaller models. The impact of the universalization principle is also examined, with results showing that large models can achieve sustainable cooperation, with or without the principle, while smaller models fail without it. In addition, we provide multiple extensions to explore the applicability of the framework to new settings. We evaluate additional models, such as DeepSeek-V3 and GPT-4o-mini, to test whether cooperative behavior generalizes across different architectures and model sizes. Furthermore, we introduce new settings: we create a heterogeneous multi-agent environment, study a scenario using Japanese instructions, and explore an "inverse environment" where agents must cooperate to mitigate harmful resource distributions. Our results confirm that the benchmark can be applied to new models, scenarios, and languages, offering valuable insights into the adaptability of LLMs in complex cooperative tasks. Moreover, the experiment involving heterogeneous multi-agent systems demonstrates that high-performing models can influence lower-performing ones to adopt similar behaviors. This finding has significant implications for other agent-based applications, potentially enabling more efficient use of computational resources and contributing to the development of more effective cooperative AI systems.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

Modern single-image super-resolution (SISR) models deliver photo-realistic results at the scale factors on which they are trained, but collapse when asked to magnify far beyond that regime. We address this scalability bottleneck with Chain-of-Zoom (CoZ), a model-agnostic framework that factorizes SISR into an autoregressive chain of intermediate scale-states with multi-scale-aware prompts. CoZ repeatedly re-uses a backbone SR model, decomposing the conditional probability into tractable sub-problems to achieve extreme resolutions without additional training. Because visual cues diminish at high magnifications, we augment each zoom step with multi-scale-aware text prompts generated by a vision-language model (VLM). The prompt extractor itself is fine-tuned using Generalized Reward Policy Optimization (GRPO) with a critic VLM, aligning text guidance towards human preference. Experiments show that a standard 4x diffusion SR model wrapped in CoZ attains beyond 256x enlargement with high perceptual quality and fidelity. Project Page: https://bryanswkim.github.io/chain-of-zoom/ .

The scaling hypothesis motivates the expansion of models past trillions of parameters as a path towards better performance. Recent significant developments, such as GPT-3, have been driven by this conjecture. However, as models scale-up, training them efficiently with backpropagation becomes difficult. Because model, pipeline, and data parallelism distribute parameters and gradients over compute nodes, communication is challenging to orchestrate: this is a bottleneck to further scaling. In this work, we argue that alternative training methods can mitigate these issues, and can inform the design of extreme-scale training hardware. Indeed, using a synaptically asymmetric method with a parallelizable backward pass, such as Direct Feedback Alignement, communication needs are drastically reduced. We present a photonic accelerator for Direct Feedback Alignment, able to compute random projections with trillions of parameters. We demonstrate our system on benchmark tasks, using both fully-connected and graph convolutional networks. Our hardware is the first architecture-agnostic photonic co-processor for training neural networks. This is a significant step towards building scalable hardware, able to go beyond backpropagation, and opening new avenues for deep learning.

The scientific scale-up of large language models (LLMs) necessitates a comprehensive understanding of their scaling properties. However, the existing literature on the scaling properties only yields an incomplete answer: optimization loss decreases predictably as the model size increases, in line with established scaling law; yet no scaling law for task has been established and the task performances are far from predictable during scaling. Task performances typically show minor gains on small models until they improve dramatically once models exceed a size threshold, exemplifying the ``emergent abilities''. In this study, we discover that small models, although they exhibit minor performance, demonstrate critical and consistent task performance improvements that are not captured by conventional evaluation strategies due to insufficient measurement resolution. To measure such improvements, we introduce PassUntil, an evaluation strategy through massive sampling in the decoding phase. We conduct quantitative investigations into the scaling law of task performance. Firstly, a strict task scaling law is identified, enhancing the predictability of task performances. Remarkably, we are able to predict the performance of the 2.4B model on code generation with merely 0.05\% deviation before training starts. Secondly, underpinned by PassUntil, we observe concrete evidence of emergent abilities and ascertain that they are not in conflict with the continuity of performance improvement. Their semblance to break-through is that their scaling curve cannot be fitted by standard scaling law function. We then introduce a mathematical definition for the emergent abilities. Through the definition, we refute a prevalent ``multi-step reasoning hypothesis'' regarding the genesis of emergent abilities and propose a new hypothesis with a satisfying fit to the observed scaling curve.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

The remarkable success of large language pretraining and the discovery of scaling laws signify a paradigm shift in machine learning. Notably, the primary objective has evolved from minimizing generalization error to reducing approximation error, and the most effective strategy has transitioned from regularization (in a broad sense) to scaling up models. This raises a critical question: Do the established principles that proved successful in the generalization-centric era remain valid in this new era of scaling? This paper examines several influential regularization-based principles that may no longer hold true in the scaling-centric, large language model (LLM) era. These principles include explicit L2 regularization and implicit regularization through small batch sizes and large learning rates. Additionally, we identify a new phenomenon termed ``scaling law crossover,'' where two scaling curves intersect at a certain scale, implying that methods effective at smaller scales may not generalize to larger ones. Together, these observations highlight two fundamental questions within this new paradigm: bullet Guiding Principles for Scaling: If regularization is no longer the primary guiding principle for model design, what new principles are emerging to guide scaling? bullet Model Comparison at Scale: How to reliably and effectively compare models at the scale where only a single experiment is feasible?

Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate {\eta} and weight decay {\lambda}. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B. Recent work suggests the AdamW timescale, B/({\eta}{\lambda}D), should remain constant across training settings, and we verify the implication that optimal {\lambda} scales linearly with B, for a fixed N,D. However, as N,D scale, we show the optimal timescale obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict {\lambda}opt in advance of large-scale training. We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast with prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives.

Robot manipulation has seen tremendous progress in recent years, with imitation learning policies enabling successful performance of dexterous and hard-to-model tasks. Concurrently, scaling data and model size has led to the development of capable language and vision foundation models, motivating large-scale efforts to create general-purpose robot foundation models. While these models have garnered significant enthusiasm and investment, meaningful evaluation of real-world performance remains a challenge, limiting both the pace of development and inhibiting a nuanced understanding of current capabilities. In this paper, we rigorously evaluate multitask robot manipulation policies, referred to as Large Behavior Models (LBMs), by extending the Diffusion Policy paradigm across a corpus of simulated and real-world robot data. We propose and validate an evaluation pipeline to rigorously analyze the capabilities of these models with statistical confidence. We compare against single-task baselines through blind, randomized trials in a controlled setting, using both simulation and real-world experiments. We find that multi-task pretraining makes the policies more successful and robust, and enables teaching complex new tasks more quickly, using a fraction of the data when compared to single-task baselines. Moreover, performance predictably increases as pretraining scale and diversity grows. Project page: https://toyotaresearchinstitute.github.io/lbm1/

Understanding how language model performance varies with scale is critical to benchmark and algorithm development. Scaling laws are one approach to building this understanding, but the requirement of training models across many different scales has limited their use. We propose an alternative, observational approach that bypasses model training and instead builds scaling laws from ~80 publically available models. Building a single scaling law from multiple model families is challenging due to large variations in their training compute efficiencies and capabilities. However, we show that these variations are consistent with a simple, generalized scaling law where language model performance is a function of a low-dimensional capability space, and model families only vary in their efficiency in converting training compute to capabilities. Using this approach, we show the surprising predictability of complex scaling phenomena: we show that several emergent phenomena follow a smooth, sigmoidal behavior and are predictable from small models; we show that the agent performance of models such as GPT-4 can be precisely predicted from simpler non-agentic benchmarks; and we show how to predict the impact of post-training interventions like Chain-of-Thought and Self-Consistency as language model capabilities continue to improve.

The ever-growing ecosystem of LLMs has posed a challenge in selecting the most appropriate pre-trained model to fine-tune amidst a sea of options. Given constrained resources, fine-tuning all models and making selections afterward is unrealistic. In this work, we formulate this resource-constrained selection task into predicting fine-tuning performance and illustrate its natural connection with scaling laws. Unlike pre-training, We find that the fine-tuning scaling curve includes not just the well-known "power phase" but also the previously unobserved "pre-power phase". We also explain why existing scaling laws fail to capture this phase transition phenomenon both theoretically and empirically. To address this, we introduce the concept of "pre-learned data size" into our rectified scaling law, which overcomes theoretical limitations and fits experimental results much better. By leveraging our law, we propose a novel LLM selection algorithm that selects the near-optimal model with hundreds of times less resource consumption, while other methods may provide negatively correlated selection.

In studies of transferable learning, scaling laws are obtained for various important foundation models to predict their properties and performance at larger scales. We show here how scaling law derivation can also be used for model and dataset comparison, allowing to decide which procedure is to be preferred for pre-training. For the first time, full scaling laws based on dense measurements across a wide span of model and samples seen scales are derived for two important language-vision learning procedures, CLIP and MaMMUT, that use either contrastive only or contrastive and captioning text generative loss. Ensuring sufficient prediction accuracy for held out points, we use derived scaling laws to compare both models, obtaining evidence for MaMMUT's stronger improvement with scale and better sample efficiency than standard CLIP. To strengthen validity of the comparison, we show scaling laws for various downstream tasks, classification, retrieval, and segmentation, and for different open datasets, DataComp, DFN and Re-LAION, observing consistently the same trends. We show that comparison can also be performed when deriving scaling laws with a constant learning rate schedule, reducing compute cost. Accurate derivation of scaling laws provides thus means to perform model and dataset comparison across scale spans, avoiding misleading conclusions based on measurements from single reference scales only, paving the road for systematic comparison and improvement of open foundation models and datasets for their creation. We release all the pre-trained models with their intermediate checkpoints, including openMaMMUT-L/14, which achieves 80.3% zero-shot ImageNet-1k accuracy, trained on 12.8B samples from DataComp-1.4B. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/scaling-laws-for-comparison.

Neural scaling laws (NSL) refer to the phenomenon where model performance improves with scale. Sharma & Kaplan analyzed NSL using approximation theory and predict that MSE losses decay as N^{-alpha}, alpha=4/d, where N is the number of model parameters, and d is the intrinsic input dimension. Although their theory works well for some cases (e.g., ReLU networks), we surprisingly find that a simple 1D problem y=x^2 manifests a different scaling law (alpha=1) from their predictions (alpha=4). We opened the neural networks and found that the new scaling law originates from lottery ticket ensembling: a wider network on average has more "lottery tickets", which are ensembled to reduce the variance of outputs. We support the ensembling mechanism by mechanistically interpreting single neural networks, as well as studying them statistically. We attribute the N^{-1} scaling law to the "central limit theorem" of lottery tickets. Finally, we discuss its potential implications for large language models and statistical physics-type theories of learning.

Discovering scaling laws for predicting model performance at scale is a fundamental and open-ended challenge, mostly reliant on slow, case specific human experimentation. To investigate the potential for LLMs to automate this process, we collect over 5,000 experiments from existing literature and curate seven diverse scaling law discovery tasks. While existing agents struggle to produce accurate law formulas, this paper introduces SLDAgent, an evolution-based agent that co-optimize the scaling law model and the parameters, enabling it to autonomously explore complex relationships between variables. For the first time, we demonstrates that SLDAgent can automatically discover laws that exhibit consistently more accurate extrapolation than their established, human-derived counterparts across all tasks. Through comprehensive analysis, we elucidate why these discovered laws are superior and verify their practical utility in both pretraining and finetuning applications. This work establishes a new paradigm for agentic scientific discovery, showing that AI systems can understand their own scaling behavior, and can contribute novel and practical knowledge back to the research community.

The population loss of trained deep neural networks often follows precise power-law scaling relations with either the size of the training dataset or the number of parameters in the network. We propose a theory that explains the origins of and connects these scaling laws. We identify variance-limited and resolution-limited scaling behavior for both dataset and model size, for a total of four scaling regimes. The variance-limited scaling follows simply from the existence of a well-behaved infinite data or infinite width limit, while the resolution-limited regime can be explained by positing that models are effectively resolving a smooth data manifold. In the large width limit, this can be equivalently obtained from the spectrum of certain kernels, and we present evidence that large width and large dataset resolution-limited scaling exponents are related by a duality. We exhibit all four scaling regimes in the controlled setting of large random feature and pretrained models and test the predictions empirically on a range of standard architectures and datasets. We also observe several empirical relationships between datasets and scaling exponents under modifications of task and architecture aspect ratio. Our work provides a taxonomy for classifying different scaling regimes, underscores that there can be different mechanisms driving improvements in loss, and lends insight into the microscopic origins of and relationships between scaling exponents.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the modelx2013and the more data one has access tox2013the more one can improve performance. As models get deployed in a variety of real world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects scaling laws. We find that strategic interactions can break the conventional view of scaling lawsx2013meaning that performance does not necessarily monotonically improve as models get larger and/ or more expressive (even with infinite data). We show the implications of this phenomenon in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning through examples of strategic environments in whichx2013by simply restricting the expressivity of one's model or policy classx2013one can achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model-selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

Recently, learning-based algorithms have achieved promising performance on cross-spectral image patch matching, which, however, is still far from satisfactory for practical application. On the one hand, a lack of large-scale dataset with diverse scenes haunts its further improvement for learning-based algorithms, whose performances and generalization rely heavily on the dataset size and diversity. On the other hand, more emphasis has been put on feature relation in the spatial domain whereas the scale dependency between features has often been ignored, leading to performance degeneration especially when encountering significant appearance variations for cross-spectral patches. To address these issues, we publish, to be best of our knowledge, the largest visible and Long-wave Infrared (LWIR) image patch matching dataset, termed VL-CMIM, which contains 1300 pairs of strictly aligned visible and LWIR images and over 2 million patch pairs covering diverse scenes such as asteroid, field, country, build, street and water.In addition, a multi-domain feature relation learning network (MD-FRN) is proposed. Input by the features extracted from a four-branch network, both feature relations in spatial and scale domains are learned via a spatial correlation module (SCM) and multi-scale adaptive aggregation module (MSAG), respectively. To further aggregate the multi-domain relations, a deep domain interactive mechanism (DIM) is applied, where the learnt spatial-relation and scale-relation features are exchanged and further input into MSCRM and SCM. This mechanism allows our model to learn interactive cross-domain feature relations, leading to improved robustness to significant appearance changes due to different modality.

Scaling up neural networks has led to remarkable performance across a wide range of tasks. Moreover, performance often follows reliable scaling laws as a function of training set size, model size, and compute, which offers valuable guidance as large-scale experiments are becoming increasingly expensive. However, previous work on scaling laws has primarily used private data \& models or focused on uni-modal language or vision learning. To address these limitations, we investigate scaling laws for contrastive language-image pre-training (CLIP) with the public LAION dataset and the open-source OpenCLIP repository. Our large-scale experiments involve models trained on up to two billion image-text pairs and identify power law scaling for multiple downstream tasks including zero-shot classification, retrieval, linear probing, and end-to-end fine-tuning. We find that the training distribution plays a key role in scaling laws as the OpenAI and OpenCLIP models exhibit different scaling behavior despite identical model architectures and similar training recipes. We open-source our evaluation workflow and all models, including the largest public CLIP models, to ensure reproducibility and make scaling laws research more accessible. Source code and instructions to reproduce this study will be available at https://github.com/LAION-AI/scaling-laws-openclip

Common-pool resource governance requires users to cooperate and avoid overexploitation, but defection and free-riding often undermine cooperation. We model a human-environmental system that integrates dynamics of resource and users' strategies. The resource follows a logistic function that depends on natural growth rate, carrying capacity, and extraction rates of cooperators and defectors. The users' strategies evolve according to different processes that capture effects of payoff, resource, and noise. We analyze the feedback between resource availability and strategic adaptation, and explores the conditions for the emergence and maintenance of cooperation. We find different processes lead to different regimes of equilibrium solutions and resource levels depending on the parameter configuration and initial conditions. We also show that some processes can enhance the sustainability of the resource by making the users more responsive to the resource scarcity. The paper advances the understanding of human-environmental system and offers insights for resource governance policies and interventions.

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing platforms, such as limited scalability and low efficiency, unsatisfied agent diversity, and effort-intensive management processes. To address these challenges, we develop several new features and components for AgentScope, a user-friendly multi-agent platform, enhancing its convenience and flexibility for supporting very large-scale multi-agent simulations. Specifically, we propose an actor-based distributed mechanism as the underlying technological infrastructure towards great scalability and high efficiency, and provide flexible environment support for simulating various real-world scenarios, which enables parallel execution of multiple agents, centralized workflow orchestration, and both inter-agent and agent-environment interactions among agents. Moreover, we integrate an easy-to-use configurable tool and an automatic background generation pipeline in AgentScope, simplifying the process of creating agents with diverse yet detailed background settings. Last but not least, we provide a web-based interface for conveniently monitoring and managing a large number of agents that might deploy across multiple devices. We conduct a comprehensive simulation to demonstrate the effectiveness of the proposed enhancements in AgentScope, and provide detailed observations and discussions to highlight the great potential of applying multi-agent systems in large-scale simulations. The source code is released on GitHub at https://github.com/modelscope/agentscope to inspire further research and development in large-scale multi-agent simulations.

LLMs have achieved remarkable breakthroughs in reasoning, insights, and tool use, but chaining these abilities into extended processes at the scale of those routinely executed by humans, organizations, and societies has remained out of reach. The models have a persistent error rate that prevents scale-up: for instance, recent experiments in the Towers of Hanoi benchmark domain showed that the process inevitably becomes derailed after at most a few hundred steps. Thus, although LLM research is often still benchmarked on tasks with relatively few dependent logical steps, there is increasing attention on the ability (or inability) of LLMs to perform long range tasks. This paper describes MAKER, the first system that successfully solves a task with over one million LLM steps with zero errors, and, in principle, scales far beyond this level. The approach relies on an extreme decomposition of a task into subtasks, each of which can be tackled by focused microagents. The high level of modularity resulting from the decomposition allows error correction to be applied at each step through an efficient multi-agent voting scheme. This combination of extreme decomposition and error correction makes scaling possible. Thus, the results suggest that instead of relying on continual improvement of current LLMs, massively decomposed agentic processes (MDAPs) may provide a way to efficiently solve problems at the level of organizations and societies.

Humans are highly adaptable, swiftly switching between different modes to progressively handle different tasks, situations and contexts. In Human-object interaction (HOI) activities, these modes can be attributed to two mechanisms: (1) the large-scale consistent plan for the whole activity and (2) the small-scale children interactive actions that start and end along the timeline. While neuroscience and cognitive science have confirmed this multi-mechanism nature of human behavior, machine modeling approaches for human motion are trailing behind. While attempted to use gradually morphing structures (e.g., graph attention networks) to model the dynamic HOI patterns, they miss the expeditious and discrete mode-switching nature of the human motion. To bridge that gap, this work proposes to model two concurrent mechanisms that jointly control human motion: the Persistent process that runs continually on the global scale, and the Transient sub-processes that operate intermittently on the local context of the human while interacting with objects. These two mechanisms form an interactive Persistent-Transient Duality that synergistically governs the activity sequences. We model this conceptual duality by a parent-child neural network of Persistent and Transient channels with a dedicated neural module for dynamic mechanism switching. The framework is trialed on HOI motion forecasting. On two rich datasets and a wide variety of settings, the model consistently delivers superior performances, proving its suitability for the challenge.

Denoising diffusion probabilistic models that were initially proposed for realistic image generation have recently shown success in various perception tasks (e.g., object detection and image segmentation) and are increasingly gaining attention in computer vision. However, extending such models to multi-frame human pose estimation is non-trivial due to the presence of the additional temporal dimension in videos. More importantly, learning representations that focus on keypoint regions is crucial for accurate localization of human joints. Nevertheless, the adaptation of the diffusion-based methods remains unclear on how to achieve such objective. In this paper, we present DiffPose, a novel diffusion architecture that formulates video-based human pose estimation as a conditional heatmap generation problem. First, to better leverage temporal information, we propose SpatioTemporal Representation Learner which aggregates visual evidences across frames and uses the resulting features in each denoising step as a condition. In addition, we present a mechanism called Lookup-based MultiScale Feature Interaction that determines the correlations between local joints and global contexts across multiple scales. This mechanism generates delicate representations that focus on keypoint regions. Altogether, by extending diffusion models, we show two unique characteristics from DiffPose on pose estimation task: (i) the ability to combine multiple sets of pose estimates to improve prediction accuracy, particularly for challenging joints, and (ii) the ability to adjust the number of iterative steps for feature refinement without retraining the model. DiffPose sets new state-of-the-art results on three benchmarks: PoseTrack2017, PoseTrack2018, and PoseTrack21.

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is intended to help uncover new, original knowledge and to formulate demonstrably novel research hypotheses and proposals, building upon prior evidence and aligned to scientist-provided research objectives and guidance. The system's design incorporates a generate, debate, and evolve approach to hypothesis generation, inspired by the scientific method and accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute, improving hypothesis quality. While general purpose, we focus development and validation in three biomedical areas: drug repurposing, novel target discovery, and explaining mechanisms of bacterial evolution and anti-microbial resistance. For drug repurposing, the system proposes candidates with promising validation findings, including candidates for acute myeloid leukemia that show tumor inhibition in vitro at clinically applicable concentrations. For novel target discovery, the AI co-scientist proposed new epigenetic targets for liver fibrosis, validated by anti-fibrotic activity and liver cell regeneration in human hepatic organoids. Finally, the AI co-scientist recapitulated unpublished experimental results via a parallel in silico discovery of a novel gene transfer mechanism in bacterial evolution. These results, detailed in separate, co-timed reports, demonstrate the potential to augment biomedical and scientific discovery and usher an era of AI empowered scientists.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

Kaplan et al. and Hoffmann et al. developed influential scaling laws for the optimal model size as a function of the compute budget, but these laws yield substantially different predictions. We explain the discrepancy by reproducing the Kaplan scaling law on two datasets (OpenWebText2 and RefinedWeb) and identifying three factors causing the difference: last layer computational cost, warmup duration, and scale-dependent optimizer tuning. With these factors corrected, we obtain excellent agreement with the Hoffmann et al. (i.e., "Chinchilla") scaling law. Counter to a hypothesis of Hoffmann et al., we find that careful learning rate decay is not essential for the validity of their scaling law. As a secondary result, we derive scaling laws for the optimal learning rate and batch size, finding that tuning the AdamW beta_2 parameter is essential at lower batch sizes.

Solving the problem of cooperation is fundamentally important for the creation and maintenance of functional societies. Problems of cooperation are omnipresent within human society, with examples ranging from navigating busy road junctions to negotiating treaties. As the use of AI becomes more pervasive throughout society, the need for socially intelligent agents capable of navigating these complex cooperative dilemmas is becoming increasingly evident. Direct punishment is a ubiquitous social mechanism that has been shown to foster the emergence of cooperation in both humans and non-humans. In the natural world, direct punishment is often strongly coupled with partner selection and reputation and used in conjunction with third-party punishment. The interactions between these mechanisms could potentially enhance the emergence of cooperation within populations. However, no previous work has evaluated the learning dynamics and outcomes emerging from Multi-Agent Reinforcement Learning (MARL) populations that combine these mechanisms. This paper addresses this gap. It presents a comprehensive analysis and evaluation of the behaviors and learning dynamics associated with direct punishment, third-party punishment, partner selection, and reputation. Finally, we discuss the implications of using these mechanisms on the design of cooperative AI systems.

Scaling laws for inference compute in multi-agent systems remain under-explored compared to single-agent scenarios. This work aims to bridge this gap by investigating the problem of data synthesis through multi-agent sampling, where synthetic responses are generated by sampling from multiple distinct language models. Effective model coordination is crucial for successful multi-agent collaboration. Unlike previous approaches that rely on fixed workflows, we treat model coordination as a multi-step decision-making process, optimizing generation structures dynamically for each input question. We introduce Tree Search-based Orchestrated Agents~(TOA), where the workflow evolves iteratively during the sequential sampling process. To achieve this, we leverage Monte Carlo Tree Search (MCTS), integrating a reward model to provide real-time feedback and accelerate exploration. Our experiments on alignment, machine translation, and mathematical reasoning demonstrate that multi-agent sampling significantly outperforms single-agent sampling as inference compute scales. TOA is the most compute-efficient approach, achieving SOTA performance on WMT and a 71.8\% LC win rate on AlpacaEval. Moreover, fine-tuning with our synthesized alignment data surpasses strong preference learning methods on challenging benchmarks such as Arena-Hard and AlpacaEval.

In this paper, we propose a novel learning paradigm, termed Chain-of-Model (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style, thereby introducing great scaling efficiency in model training and inference flexibility in deployment. We introduce the concept of Chain-of-Representation (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains) at the hidden dimension level. In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise Chain-of-Language-Model (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a KV sharing mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models. Our code will be released in the future at: https://github.com/microsoft/CoLM.

It is commonly believed that scaling language models should commit a significant space or time cost, by increasing the parameters (parameter scaling) or output tokens (inference-time scaling). We introduce the third and more inference-efficient scaling paradigm: increasing the model's parallel computation during both training and inference time. We apply P diverse and learnable transformations to the input, execute forward passes of the model in parallel, and dynamically aggregate the P outputs. This method, namely parallel scaling (ParScale), scales parallel computation by reusing existing parameters and can be applied to any model structure, optimization procedure, data, or task. We theoretically propose a new scaling law and validate it through large-scale pre-training, which shows that a model with P parallel streams is similar to scaling the parameters by O(log P) while showing superior inference efficiency. For example, ParScale can use up to 22times less memory increase and 6times less latency increase compared to parameter scaling that achieves the same performance improvement. It can also recycle an off-the-shelf pre-trained model into a parallelly scaled one by post-training on a small amount of tokens, further reducing the training budget. The new scaling law we discovered potentially facilitates the deployment of more powerful models in low-resource scenarios, and provides an alternative perspective for the role of computation in machine learning.

The Earth's atmosphere is an aerosol, it contains suspended particles. When air flows over an obstacle such as an aircraft wing or tree branch, these particles may not follow the same paths as the air flowing around the obstacle. Instead the particles in the air may deviate from the path of the air and so collide with the surface of the obstacle. It is known that particle inertia can drive this deposition, and that there is a critical value of this inertia, below which no point particles deposit. Particle inertia is measured by the Stokes number, St. We show that near the critical value of the Stokes number, St_c, the amount of deposition has the unusual scaling law of exp(-1/(St-St_c)^{1/2}). The scaling is controlled by the stagnation point of the flow. This scaling is determined by the time for the particle to reach the surface of the cylinder varying as 1/(St-St_c)^{1/2}, together with the distance away from the stagnation point (perpendicular to the flow direction) increasing exponentially with time. The scaling law applies to inviscid flow, a model for flow at high Reynolds numbers. The unusual scaling means that the amount of particles deposited increases only very slowly above the critical Stokes number. This has consequences for applications ranging from rime formation and fog harvesting to pollination.

Scaling laws research has focused overwhelmingly on English -- yet the most prominent AI models explicitly serve billions of international users. In this work, we undertake the largest multilingual scaling laws study to date, totaling 774 multilingual training experiments, spanning 10M-8B model parameters, 400+ training languages and 48 evaluation languages. We introduce the Adaptive Transfer Scaling Law (ATLAS) for both monolingual and multilingual pretraining, which outperforms existing scaling laws' out-of-sample generalization often by more than 0.3 R^2. Our analyses of the experiments shed light on multilingual learning dynamics, transfer properties between languages, and the curse of multilinguality. First, we derive a cross-lingual transfer matrix, empirically measuring mutual benefit scores between 38 x 38=1444 language pairs. Second, we derive a language-agnostic scaling law that reveals how to optimally scale model size and data when adding languages without sacrificing performance. Third, we identify the computational crossover points for when to pretrain from scratch versus finetune from multilingual checkpoints. We hope these findings provide the scientific foundation for democratizing scaling laws across languages, and enable practitioners to efficiently scale models -- beyond English-first AI.

Large language models (LLMs) have attracted significant attention due to their impressive general capabilities across diverse downstream tasks. However, without domain-specific optimization, they often underperform on specialized knowledge benchmarks and even produce hallucination. Recent studies show that strategically infusing domain knowledge during pretraining can substantially improve downstream performance. A critical challenge lies in balancing this infusion trade-off: injecting too little domain-specific data yields insufficient specialization, whereas excessive infusion triggers catastrophic forgetting of previously acquired knowledge. In this work, we focus on the phenomenon of memory collapse induced by over-infusion. Through systematic experiments, we make two key observations, i.e. 1) Critical collapse point: each model exhibits a threshold beyond which its knowledge retention capabilities sharply degrade. 2) Scale correlation: these collapse points scale consistently with the model's size. Building on these insights, we propose a knowledge infusion scaling law that predicts the optimal amount of domain knowledge to inject into large LLMs by analyzing their smaller counterparts. Extensive experiments across different model sizes and pertaining token budgets validate both the effectiveness and generalizability of our scaling law.

In this work we analyze strategies for convolutional neural network scaling; that is, the process of scaling a base convolutional network to endow it with greater computational complexity and consequently representational power. Example scaling strategies may include increasing model width, depth, resolution, etc. While various scaling strategies exist, their tradeoffs are not fully understood. Existing analysis typically focuses on the interplay of accuracy and flops (floating point operations). Yet, as we demonstrate, various scaling strategies affect model parameters, activations, and consequently actual runtime quite differently. In our experiments we show the surprising result that numerous scaling strategies yield networks with similar accuracy but with widely varying properties. This leads us to propose a simple fast compound scaling strategy that encourages primarily scaling model width, while scaling depth and resolution to a lesser extent. Unlike currently popular scaling strategies, which result in about O(s) increase in model activation w.r.t. scaling flops by a factor of s, the proposed fast compound scaling results in close to O(s) increase in activations, while achieving excellent accuracy. This leads to comparable speedups on modern memory-limited hardware (e.g., GPU, TPU). More generally, we hope this work provides a framework for analyzing and selecting scaling strategies under various computational constraints.

We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network (MNN) (Pervez et al., 2024), we reduce the computational time and space complexities from cubic and quadratic with respect to the sequence length, respectively, to linear. This significant improvement enables efficient modeling of long-term dynamics without sacrificing accuracy or interpretability. Extensive experiments demonstrate that S-MNN matches the original MNN in precision while substantially reducing computational resources. Consequently, S-MNN can drop-in replace the original MNN in applications, providing a practical and efficient tool for integrating mechanistic bottlenecks into neural network models of complex dynamical systems.

When using Large Language Models (LLMs) to support Knowledge Graph Engineering (KGE), one of the first indications when searching for an appropriate model is its size. According to the scaling laws, larger models typically show higher capabilities. However, in practice, resource costs are also an important factor and thus it makes sense to consider the ratio between model performance and costs. The LLM-KG-Bench framework enables the comparison of LLMs in the context of KGE tasks and assesses their capabilities of understanding and producing KGs and KG queries. Based on a dataset created in an LLM-KG-Bench run covering 26 open state-of-the-art LLMs, we explore the model size scaling laws specific to KGE tasks. In our analyses, we assess how benchmark scores evolve between different model size categories. Additionally, we inspect how the general score development of single models and families of models correlates to their size. Our analyses revealed that, with a few exceptions, the model size scaling laws generally also apply to the selected KGE tasks. However, in some cases, plateau or ceiling effects occurred, i.e., the task performance did not change much between a model and the next larger model. In these cases, smaller models could be considered to achieve high cost-effectiveness. Regarding models of the same family, sometimes larger models performed worse than smaller models of the same family. These effects occurred only locally. Hence it is advisable to additionally test the next smallest and largest model of the same family.

With the advancement of language models (LMs), their exposure to private data is increasingly inevitable, and their deployment (especially for smaller ones) on personal devices, such as PCs and smartphones, has become a prevailing trend. In contexts laden with user information, enabling models to both safeguard user privacy and execute commands efficiently emerges as an essential research imperative. In this paper, we propose CoGenesis, a collaborative generation framework integrating large (hosted on cloud infrastructure) and small models (deployed on local devices) to address privacy concerns logically. Initially, we design a pipeline to create personalized writing instruction datasets enriched with extensive context details as the testbed of this research issue. Subsequently, we introduce two variants of CoGenesis based on sketch and logits respectively. Our experimental findings, based on our synthesized dataset and two additional open-source datasets, indicate that: 1) Large-scale models perform well when provided with user context but struggle in the absence of such context. 2) While specialized smaller models fine-tuned on the synthetic dataset show promise, they still lag behind their larger counterparts. 3) Our CoGenesis framework, utilizing mixed-scale models, showcases competitive performance, providing a feasible solution to privacy issues.

We study the scaling properties of avalanche activity in the two-dimensional Abelian sandpile model. Instead of the conventional avalanche size distribution, we analyze the site activity distribution, which measures how often a site participates in avalanches when grains are added across the lattice. Using numerical simulations for system sizes up to \(L = 160\), averaged over \(10^4\) configurations, we determine the probability distribution \(P(A, L)\) of site activities. The results show that \(P(A, L)\) follows a finite-size scaling form \[ P(A, L) \sim L^{-2} F\Big(A{L^2}\Big). \] For small values \(A \ll L^2\) the scaling function behaves as \[ F(u) \sim u^{-1/2}, \quad corresponding to \quad P(A) \sim 1{L}, \] while for large activities \(A \sim O(L^2)\) the distribution decays as \[ F(u) \sim \exp\big(-c_3 u - c_4 u^2\big). \] The crossover between these two regimes occurs at \[ A^* \sim 0.1 \, L^2, \] marking the threshold between typical and highly excitable sites. This characterization of local avalanche activity provides complementary information to the usual avalanche size statistics, highlighting how local regions serve as frequent conduits for critical dynamics. These results may help connect sandpile models to real-world self-organized critical systems where only partial local activity can be observed.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

We present an attention mechanism inspired from definition of screened Coulomb potential. This attention mechanism was used to interpret the Graph Attention (GAT) model layers and training dataset by using a flexible and scalable framework (CoulGAT) developed for this purpose. Using CoulGAT, a forest of plain and resnet models were trained and characterized using this attention mechanism against CHAMPS dataset. The learnable variables of the attention mechanism are used to extract node-node and node-feature interactions to define an empirical standard model for the graph structure and hidden layer. This representation of graph and hidden layers can be used as a tool to compare different models, optimize hidden layers and extract a compact definition of graph structure of the dataset.

Scale variation is a deep-rooted problem in object counting, which has not been effectively addressed by existing scale-aware algorithms. An important factor is that they typically involve cooperative learning across multi-resolutions, which could be suboptimal for learning the most discriminative features from each scale. In this paper, we propose a novel method termed STEERER (SelecTivE inhERitance lEaRning) that addresses the issue of scale variations in object counting. STEERER selects the most suitable scale for patch objects to boost feature extraction and only inherits discriminative features from lower to higher resolution progressively. The main insights of STEERER are a dedicated Feature Selection and Inheritance Adaptor (FSIA), which selectively forwards scale-customized features at each scale, and a Masked Selection and Inheritance Loss (MSIL) that helps to achieve high-quality density maps across all scales. Our experimental results on nine datasets with counting and localization tasks demonstrate the unprecedented scale generalization ability of STEERER. Code is available at https://github.com/taohan10200/STEERER.

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functional theory (DFT). The scaling law is pivotal in the development of large models, suggesting that their generalizability in downstream tasks consistently improves with increased model size, expanded training datasets, and larger computational budgets. In this study, we present DPA3, a multi-layer graph neural network founded on line graph series (LiGS), designed explicitly for the era of LAMs. We demonstrate that the generalization error of the DPA3 model adheres to the scaling law. The scalability in the number of model parameters is attained by stacking additional layers within DPA3. Additionally, the model employs a dataset encoding mechanism that decouples the scaling of training data size from the model size within its multi-task training framework. When trained as problem-oriented potential energy models, the DPA3 model exhibits superior accuracy in the majority of benchmark cases, encompassing systems with diverse features, including molecules, bulk materials, surface and cluster catalysts, two-dimensional materials, and battery materials. When trained as a LAM on the OpenLAM-v1 dataset, the DPA-3.1-3M model exhibits state-of-the-art performance in the LAMBench benchmark suite for LAMs, demonstrating lowest overall zero-shot generalization error across 17 downstream tasks from a broad spectrum of research domains. This performance suggests superior accuracy as an out-of-the-box potential model, requiring minimal fine-tuning data for downstream scientific applications.

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.

Correlation does not imply causation, but patterns of statistical association between variables can be exploited to infer a causal structure (even with purely observational data) with the burgeoning field of causal discovery. As a purely observational science, astrophysics has much to gain by exploiting these new methods. The supermassive black hole (SMBH)--galaxy interaction has long been constrained by observed scaling relations, that is low-scatter correlations between variables such as SMBH mass and the central velocity dispersion of stars in a host galaxy's bulge. This study, using advanced causal discovery techniques and an up-to-date dataset, reveals a causal link between galaxy properties and dynamically-measured SMBH masses. We apply a score-based Bayesian framework to compute the exact conditional probabilities of every causal structure that could possibly describe our galaxy sample. With the exact posterior distribution, we determine the most likely causal structures and notice a probable causal reversal when separating galaxies by morphology. In elliptical galaxies, bulge properties (built from major mergers) tend to influence SMBH growth, while in spiral galaxies, SMBHs are seen to affect host galaxy properties, potentially through feedback in gas-rich environments. For spiral galaxies, SMBHs progressively quench star formation, whereas in elliptical galaxies, quenching is complete, and the causal connection has reversed. Our findings support theoretical models of hierarchical assembly of galaxies and active galactic nuclei feedback regulating galaxy evolution. Our study suggests the potentiality for further exploration of causal links in astrophysical and cosmological scaling relations, as well as any other observational science.

Reward Models (RMs) are critical for improving generation models via Reinforcement Learning (RL), yet the RM scaling paradigm in visual generation remains largely unexplored. It primarily due to fundamental limitations in existing approaches: CLIP-based RMs suffer from architectural and input modality constraints, while prevalent Bradley-Terry losses are fundamentally misaligned with the next-token prediction mechanism of Vision-Language Models (VLMs), hindering effective scaling. More critically, the RLHF optimization process is plagued by Reward Hacking issue, where models exploit flaws in the reward signal without improving true quality. To address these challenges, we introduce RewardDance, a scalable reward modeling framework that overcomes these barriers through a novel generative reward paradigm. By reformulating the reward score as the model's probability of predicting a "yes" token, indicating that the generated image outperforms a reference image according to specific criteria, RewardDance intrinsically aligns reward objectives with VLM architectures. This alignment unlocks scaling across two dimensions: (1) Model Scaling: Systematic scaling of RMs up to 26 billion parameters; (2) Context Scaling: Integration of task-specific instructions, reference examples, and chain-of-thought (CoT) reasoning. Extensive experiments demonstrate that RewardDance significantly surpasses state-of-the-art methods in text-to-image, text-to-video, and image-to-video generation. Crucially, we resolve the persistent challenge of "reward hacking": Our large-scale RMs exhibit and maintain high reward variance during RL fine-tuning, proving their resistance to hacking and ability to produce diverse, high-quality outputs. It greatly relieves the mode collapse problem that plagues smaller models.

Deep co-training has been introduced to semi-supervised segmentation and achieves impressive results, yet few studies have explored the working mechanism behind it. In this work, we revisit the core assumption that supports co-training: multiple compatible and conditionally independent views. By theoretically deriving the generalization upper bound, we prove the prediction similarity between two models negatively impacts the model's generalization ability. However, most current co-training models are tightly coupled together and violate this assumption. Such coupling leads to the homogenization of networks and confirmation bias which consequently limits the performance. To this end, we explore different dimensions of co-training and systematically increase the diversity from the aspects of input domains, different augmentations and model architectures to counteract homogenization. Our Diverse Co-training outperforms the state-of-the-art (SOTA) methods by a large margin across different evaluation protocols on the Pascal and Cityscapes. For example. we achieve the best mIoU of 76.2%, 77.7% and 80.2% on Pascal with only 92, 183 and 366 labeled images, surpassing the previous best results by more than 5%.

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool selection frameworks do not integrate MCP servers, instead relying heavily on error-prone manual updates to monolithic local tool repositories, leading to duplication, inconsistencies, and inefficiencies. Additionally, current approaches abstract tool selection before the LLM agent is invoked, limiting its autonomy and hindering dynamic re-querying capabilities during multi-turn interactions. To address these issues, we introduce ScaleMCP, a novel tool selection approach that dynamically equips LLM agents with a MCP tool retriever, giving agents the autonomy to add tools into their memory, as well as an auto-synchronizing tool storage system pipeline through CRUD (create, read, update, delete) operations with MCP servers as the single source of truth. We also propose a novel embedding strategy, Tool Document Weighted Average (TDWA), designed to selectively emphasize critical components of tool documents (e.g. tool name or synthetic questions) during the embedding process. Comprehensive evaluations conducted on a created dataset of 5,000 financial metric MCP servers, across 10 LLM models, 5 embedding models, and 5 retriever types, demonstrate substantial improvements in tool retrieval and agent invocation performance, emphasizing ScaleMCP's effectiveness in scalable, dynamic tool selection and invocation.

Robot co-design, where the morphology of a robot is optimized jointly with a learned policy to solve a specific task, is an emerging area of research. It holds particular promise for soft robots, which are amenable to novel manufacturing techniques that can realize learned morphologies and actuators. Inspired by nature and recent novel robot designs, we propose to go a step further and explore the novel reconfigurable robots, defined as robots that can change their morphology within their lifetime. We formalize control of reconfigurable soft robots as a high-dimensional reinforcement learning (RL) problem. We unify morphology change, locomotion, and environment interaction in the same action space, and introduce an appropriate, coarse-to-fine curriculum that enables us to discover policies that accomplish fine-grained control of the resulting robots. We also introduce DittoGym, a comprehensive RL benchmark for reconfigurable soft robots that require fine-grained morphology changes to accomplish the tasks. Finally, we evaluate our proposed coarse-to-fine algorithm on DittoGym and demonstrate robots that learn to change their morphology several times within a sequence, uniquely enabled by our RL algorithm. More results are available at https://dittogym.github.io.

Neural scaling laws define a predictable relationship between a model's parameter count and its performance after training in the form of a power law. However, most research to date has not explicitly investigated whether scaling laws can be used to accelerate model development. In this work, we perform such an empirical investigation across a wide range of language understanding tasks, starting from models with as few as 10K parameters, and evaluate downstream performance across 9 language understanding tasks. We find that scaling laws emerge at finetuning time in some NLP tasks, and that they can also be exploited for debugging convergence when training large models. Moreover, for tasks where scaling laws exist, they can be used to predict the performance of larger models, which enables effective model selection. However, revealing scaling laws requires careful hyperparameter tuning and multiple runs for the purpose of uncertainty estimation, which incurs additional overhead, partially offsetting the computational benefits.

On a variety of tasks, the performance of neural networks predictably improves with training time, dataset size and model size across many orders of magnitude. This phenomenon is known as a neural scaling law. Of fundamental importance is the compute-optimal scaling law, which reports the performance as a function of units of compute when choosing model sizes optimally. We analyze a random feature model trained with gradient descent as a solvable model of network training and generalization. This reproduces many observations about neural scaling laws. First, our model makes a prediction about why the scaling of performance with training time and with model size have different power law exponents. Consequently, the theory predicts an asymmetric compute-optimal scaling rule where the number of training steps are increased faster than model parameters, consistent with recent empirical observations. Second, it has been observed that early in training, networks converge to their infinite-width dynamics at a rate 1/width but at late time exhibit a rate width^{-c}, where c depends on the structure of the architecture and task. We show that our model exhibits this behavior. Lastly, our theory shows how the gap between training and test loss can gradually build up over time due to repeated reuse of data.

Primordial Magnetic Fields (PMFs) -- magnetic fields originating in the early Universe and permeating the cosmological scales today -- can explain the observed microGauss-level magnetisation of galaxies and their clusters. In light of current and upcoming all-sky radio surveys, PMFs have drawn attention not only as major candidates for explaining the large-scale magnetisation of the Universe, but also as potential probes of early-Universe physics. In this paper, using cosmological simulations coupled with light-cone analysis, we study for the first time the imprints of the PMF structure on the mean rotation measure (RM) originating in the intergalactic medium (IGM), langle RM_{IGM}rangle. We introduce a new method for producing full-sky RM_{IGM} distributions and analyse the autocorrelation of RM_{IGM} on small and large angular scales; we find that PMF structures indeed show distinct signatures. The large-scale uniform model (characterised by an initially unlimited coherence scale) leads to correlations up to 90 degrees, while correlations for small-scale stochastic PMF models drop by factor of 100 at 0.17, 0.13 and 0.11 degrees angular scales, corresponding to 5.24, 4.03 and 3.52 Mpc scales (at z=2 redshift) for magnetic fields with comoving 3.49, 1.81, 1.00 Mpc/h coherence scales, respectively; the correlation amplitude of the PMF model with comoving sim 19 Mpc/h coherence scale drops only by factor of 10 at 1 degree (30.6 Mpc). These results suggests that improvements in the modelling of Galactic RM will be necessary to investigate the signature of large-scale correlated PMFs. A comparison of langle RM_{IGM}rangle redshift dependence obtained from our simulations with that from the LOFAR Two-metre Sky Survey shows agreement with our previous upper limits' estimates on the PMF strength derived from RM-rms analysis.

Predictive Coding (PC) is a theoretical framework in cognitive science suggesting that the human brain processes cognition through spatiotemporal prediction of the visual world. Existing studies have developed spatiotemporal prediction neural networks based on the PC theory, emulating its two core mechanisms: Correcting predictions from residuals and hierarchical learning. However, these models do not show the enhancement of prediction skills on real-world forecasting tasks and ignore the Precision Weighting mechanism of PC theory. The precision weighting mechanism posits that the brain allocates more attention to signals with lower precision, contributing to the cognitive ability of human brains. This work introduces the Cognitive Diffusion Probabilistic Models (CogDPM), which demonstrate the connection between diffusion probabilistic models and PC theory. CogDPM features a precision estimation method based on the hierarchical sampling capabilities of diffusion models and weight the guidance with precision weights estimated by the inherent property of diffusion models. We experimentally show that the precision weights effectively estimate the data predictability. We apply CogDPM to real-world prediction tasks using the United Kindom precipitation and ERA surface wind datasets. Our results demonstrate that CogDPM outperforms both existing domain-specific operational models and general deep prediction models by providing more proficient forecasting.

In the FLARES (First Light And Reionisation Epoch Simulations) suite of hydrodynamical simulations, we find the high redshift (z>5) intrinsic size-luminosity relation is, surprisingly, negatively sloped. However, after including the effects of dust attenuation we find a positively sloped UV observed size-luminosity relation in good agreement with other simulated and observational studies. In this work, we extend this analysis to probe the underlying physical mechanisms driving the formation and evolution of the compact galaxies driving the negative size-mass/size-luminosity relation. We find the majority of compact galaxies (R_{1/2, star}< 1 pkpc), which drive the negative slope of the size-mass relation, have transitioned from extended to compact sizes via efficient centralised cooling, resulting in high specific star formation rates in their cores. These compact stellar systems are enshrouded by non-star forming gas distributions as much as 100times larger than their stellar counterparts. By comparing with galaxies from the EAGLE simulation suite, we find that these extended gas distributions `turn on' and begin to form stars between z=5 and z=0 leading to increasing sizes, and thus the evolution of the size-mass relation from a negative to a positive slope. This explicitly demonstrates the process of inside-out galaxy formation in which compact bulges form earlier than the surrounding discs.

Advanced agentic intelligence is a prerequisite for deploying Large Language Models in practical, real-world applications. Diverse real-world APIs demand precise, robust function-calling intelligence, which needs agents to develop these capabilities through interaction in varied environments. The breadth of function-calling competence is closely tied to the diversity of environments in which agents are trained. In this work, we scale up environments as a step towards advancing general agentic intelligence. This gives rise to two central challenges: (i) how to scale environments in a principled manner, and (ii) how to effectively train agentic capabilities from experiences derived through interactions with these environments. To address these, we design a scalable framework that automatically constructs heterogeneous environments that are fully simulated, systematically broadening the space of function-calling scenarios. We further adapt a two-phase agent fine-tuning strategy: first endowing agents with fundamental agentic capabilities, then specializing them for domain-specific contexts. Extensive experiments on agentic benchmarks, tau-bench, tau2-Bench, and ACEBench, demonstrate that our trained model, AgentScaler, significantly enhances the function-calling capability of models.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is computationally challenging in large-scale systems. The identified causal set consists of all potential regulators of the target variable under experimental settings, enabling efficient regulation when intervention costs and feasibility vary across variables. To achieve this, we train a neural network using supervised learning on simulated data to infer causality. By employing a local-inference strategy, our approach scales with linear complexity in the number of variables, efficiently scaling up to thousands of variables. Empirical results demonstrate superior performance in identifying causal relationships within large-scale gene regulatory networks, outperforming existing methods that emphasize full-graph discovery. We validate our model's generalization capability across out-of-distribution graph structures and generating mechanisms, including gene regulatory networks of E. coli and the human K562 cell line. Implementation codes are available at https://github.com/snu-mllab/Targeted-Cause-Discovery.

In this work, we address the cooperation problem among large language model (LLM) based embodied agents, where agents must cooperate to achieve a common goal. Previous methods often execute actions extemporaneously and incoherently, without long-term strategic and cooperative planning, leading to redundant steps, failures, and even serious repercussions in complex tasks like search-and-rescue missions where discussion and cooperative plan are crucial. To solve this issue, we propose Cooperative Plan Optimization (CaPo) to enhance the cooperation efficiency of LLM-based embodied agents. Inspired by human cooperation schemes, CaPo improves cooperation efficiency with two phases: 1) meta-plan generation, and 2) progress-adaptive meta-plan and execution. In the first phase, all agents analyze the task, discuss, and cooperatively create a meta-plan that decomposes the task into subtasks with detailed steps, ensuring a long-term strategic and coherent plan for efficient coordination. In the second phase, agents execute tasks according to the meta-plan and dynamically adjust it based on their latest progress (e.g., discovering a target object) through multi-turn discussions. This progress-based adaptation eliminates redundant actions, improving the overall cooperation efficiency of agents. Experimental results on the ThreeDworld Multi-Agent Transport and Communicative Watch-And-Help tasks demonstrate that CaPo achieves much higher task completion rate and efficiency compared with state-of-the-arts.The code is released at https://github.com/jliu4ai/CaPo.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

In this paper, we introduce SCALE, a collaborative framework that connects compact Specialized Translation Models (STMs) and general-purpose Large Language Models (LLMs) as one unified translation engine. By introducing translation from STM into the triplet in-context demonstrations, SCALE unlocks refinement and pivoting ability of LLM, thus mitigating language bias of LLM and parallel data bias of STM, enhancing LLM speciality without sacrificing generality, and facilitating continual learning without expensive LLM fine-tuning. Our comprehensive experiments show that SCALE significantly outperforms both few-shot LLMs (GPT-4) and specialized models (NLLB) in challenging low-resource settings. Moreover, in Xhosa to English translation, SCALE experiences consistent improvement by a 4 BLEURT score without tuning LLM and surpasses few-shot GPT-4 by 2.5 COMET score and 3.8 BLEURT score when equipped with a compact model consisting of merely 600M parameters. SCALE could also effectively exploit the existing language bias of LLMs by using an English-centric STM as a pivot for translation between any language pairs, outperforming few-shot GPT-4 by an average of 6 COMET points across eight translation directions. Furthermore we provide an in-depth analysis of SCALE's robustness, translation characteristics, and latency costs, providing solid foundation for future studies exploring the potential synergy between LLMs and more specialized, task-specific models.

Vision-language models (VLMs) are trained for thousands of GPU hours on carefully curated web datasets. In recent times, data curation has gained prominence with several works developing strategies to retain 'high-quality' subsets of 'raw' scraped data. For instance, the LAION public dataset retained only 10% of the total crawled data. However, these strategies are typically developed agnostic of the available compute for training. In this paper, we first demonstrate that making filtering decisions independent of training compute is often suboptimal: the limited high-quality data rapidly loses its utility when repeated, eventually requiring the inclusion of 'unseen' but 'lower-quality' data. To address this quality-quantity tradeoff (QQT), we introduce neural scaling laws that account for the non-homogeneous nature of web data, an angle ignored in existing literature. Our scaling laws (i) characterize the differing 'utility' of various quality subsets of web data; (ii) account for how utility diminishes for a data point at its 'nth' repetition; and (iii) formulate the mutual interaction of various data pools when combined, enabling the estimation of model performance on a combination of multiple data pools without ever jointly training on them. Our key message is that data curation cannot be agnostic of the total compute that a model will be trained for. Our scaling laws allow us to curate the best possible pool for achieving top performance on Datacomp at various compute budgets, carving out a pareto-frontier for data curation. Code is available at https://github.com/locuslab/scaling_laws_data_filtering.

State-of-the-art LLMs are powered by scaling -- scaling model size, dataset size and cluster size. It is economically infeasible to extensively tune hyperparameter for the largest runs. Instead, approximately optimal hyperparameters must be inferred or transferred from smaller experiments. Hyperparameter transfer across model sizes has been studied in Yang et al. However, hyperparameter transfer across dataset size -- or token horizon -- has not been studied yet. To remedy this we conduct a large scale empirical study on how optimal learning rate (LR) depends on token horizon in LLM training. We first demonstrate that the optimal LR changes significantly with token horizon -- longer training necessitates smaller LR. Secondly we demonstrate the the optimal LR follows a scaling law, and that the optimal LR for longer horizons can be accurately estimated from shorter horizons via such scaling laws. We also provide a rule-of-thumb for transferring LR across token horizons with zero overhead over current practices. Lastly we provide evidence that LLama-1 used too high LR, and estimate the performance hit from this. We thus argue that hyperparameter transfer across data size is an important and overlooked component of LLM training.

With the rapid deployment of SCADA systems, how to effectively analyze industrial signals and detect abnormal states is an urgent need for the industry. Due to the significant heterogeneity of these signals, which we summarize as the M5 problem, previous works only focus on small sub-problems and employ specialized models, failing to utilize the synergies between modalities and the powerful scaling law. However, we argue that the M5 signals can be modeled in a unified manner due to the intrinsic similarity. As a result, we propose FISHER, a Foundation model for multi-modal Industrial Signal compreHEnsive Representation. To support arbitrary sampling rates, FISHER considers the increment of sampling rate as the concatenation of sub-band information. Specifically, FISHER takes the STFT sub-band as the modeling unit and adopts a teacher student SSL framework for pre-training. We also develop the RMIS benchmark, which evaluates the representations of M5 industrial signals on multiple health management tasks. Compared with top SSL models, FISHER showcases versatile and outstanding capabilities with a general performance gain up to 5.03%, along with much more efficient scaling curves. We also investigate the scaling law on downstream tasks and derive potential avenues for future works. FISHER is now open-sourced on https://github.com/jianganbai/FISHER

Modern foundation models rely heavily on using scaling laws to guide crucial training decisions. Researchers often extrapolate the optimal architecture and hyper parameters settings from smaller training runs by describing the relationship between, loss, or task performance, and scale. All components of this process vary, from the specific equation being fit, to the training setup, to the optimization method. Each of these factors may affect the fitted law, and therefore, the conclusions of a given study. We discuss discrepancies in the conclusions that several prior works reach, on questions such as the optimal token to parameter ratio. We augment this discussion with our own analysis of the critical impact that changes in specific details may effect in a scaling study, and the resulting altered conclusions. Additionally, we survey over 50 papers that study scaling trends: while 45 of these papers quantify these trends using a power law, most under-report crucial details needed to reproduce their findings. To mitigate this, we we propose a checklist for authors to consider while contributing to scaling law research.

Integral field units (IFU) have extended our knowledge of galactic properties to kpc (or, sometimes, even smaller) patches of galaxies. These scales are where the physics driving galaxy evolution (feedback, chemical enrichment, etc.) take place. Quantifying the spatially-resolved properties of galaxies, both observationally and theoretically, is therefore critical to our understanding of galaxy evolution. To this end, we investigate spatially-resolved scaling relations within central galaxies (M_star>10^{9.0}) at z=0 in IllustrisTNG. We examine both the resolved star-forming main sequence (rSFMS) and the resolved mass-metallicity relation (rMZR) using 1~{rm kpc}times1~{rm kpc} maps of galaxies. We find that the rSFMS in IllustrisTNG is well-described by a power-law, but has some dependence on the host galaxy's mass. Conversely, the rMZR for IllustrisTNG can be described by a single power-law at low stellar mass surface density that flattens at high surface densities and is independent of host galaxy mass. We find quantitative agreement in both the rSFMS and rMZR with recent IFU observational campaigns. Furthermore, we argue that the rSFMS is an indirect result of the Schmidt-Kennicutt (SK) law and local gas fraction relation, which are both independent of host galaxy properties. Finally, we expand upon a localized leaky-box model to study the evolution of idealized spaxels and find that it provides a good description of these resolved relations. The degree of agreement, however, between idealized spaxels and simulated spaxels depends on the `net' outflow rate for the spaxel, and the observed scaling relations indicate a preference for a low net outflow rate.

Scaling has been critical in improving model performance and generalization in machine learning. It involves how a model's performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in other areas, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations. The dominant paradigm here is to incorporate many physical domain constraints into the model, such as rotational equivariance. We contend that these complex constraints inhibit the scaling ability of NNIPs, and are likely to lead to performance plateaus in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling strategies. Our findings indicate that scaling the model through attention mechanisms is efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency--at least 10x faster inference, 5x less memory usage--compared to existing NNIPs. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept for developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.

We investigate reinforcement learning (RL) for privileged planning in autonomous driving. State-of-the-art approaches for this task are rule-based, but these methods do not scale to the long tail. RL, on the other hand, is scalable and does not suffer from compounding errors like imitation learning. Contemporary RL approaches for driving use complex shaped rewards that sum multiple individual rewards, \eg~progress, position, or orientation rewards. We show that PPO fails to optimize a popular version of these rewards when the mini-batch size is increased, which limits the scalability of these approaches. Instead, we propose a new reward design based primarily on optimizing a single intuitive reward term: route completion. Infractions are penalized by terminating the episode or multiplicatively reducing route completion. We find that PPO scales well with higher mini-batch sizes when trained with our simple reward, even improving performance. Training with large mini-batch sizes enables efficient scaling via distributed data parallelism. We scale PPO to 300M samples in CARLA and 500M samples in nuPlan with a single 8-GPU node. The resulting model achieves 64 DS on the CARLA longest6 v2 benchmark, outperforming other RL methods with more complex rewards by a large margin. Requiring only minimal adaptations from its use in CARLA, the same method is the best learning-based approach on nuPlan. It scores 91.3 in non-reactive and 90.6 in reactive traffic on the Val14 benchmark while being an order of magnitude faster than prior work.

Structure-Based Drug Design (SBDD) is a powerful strategy in computational drug discovery, utilizing three-dimensional protein structures to guide the design of molecules with improved binding affinity. However, capturing complex protein-ligand interactions across multiple scales remains challenging, as current methods often overlook the hierarchical organization and intrinsic asymmetry of these interactions. To address these limitations, we propose MSCoD, a novel Bayesian updating-based generative framework for structure-based drug design. In our MSCoD, Multi-Scale Information Bottleneck (MSIB) was developed, which enables semantic compression at multiple abstraction levels for efficient hierarchical feature extraction. Furthermore, a multi-head cooperative attention (MHCA) mechanism was developed, which employs asymmetric protein-to-ligand attention to capture diverse interaction types while addressing the dimensionality disparity between proteins and ligands. Empirical studies showed that MSCoD outperforms state-of-the-art methods on the benchmark dataset. Case studies on challenging targets such as KRAS G12D further demonstrate its applicability in real-world scenarios. The code and data underlying this article are freely available at https://github.com/xulong0826/MSCoD.