Daily Papers

A fundamental problem in combinatorial optimization is identifying equivalent formulations, which can lead to more efficient solution strategies and deeper insights into a problem's computational complexity. The need to automatically identify equivalence between problem formulations has grown as optimization copilots--systems that generate problem formulations from natural language descriptions--have proliferated. However, existing approaches to checking formulation equivalence lack grounding, relying on simple heuristics which are insufficient for rigorous validation. Inspired by Karp reductions, in this work we introduce quasi-Karp equivalence, a formal criterion for determining when two optimization formulations are equivalent based on the existence of a mapping between their decision variables. We propose EquivaMap, a framework that leverages large language models to automatically discover such mappings, enabling scalable and reliable equivalence verification. To evaluate our approach, we construct the first open-source dataset of equivalent optimization formulations, generated by applying transformations such as adding slack variables or valid inequalities to existing formulations. Empirically, EquivaMap significantly outperforms existing methods, achieving substantial improvements in correctly identifying formulation equivalence.

Contrastive learning -- a modern approach to extract useful representations from unlabeled data by training models to distinguish similar samples from dissimilar ones -- has driven significant progress in foundation models. In this work, we develop a new theoretical framework for analyzing data augmentation-based contrastive learning, with a focus on SimCLR as a representative example. Our approach is based on the concept of approximate sufficient statistics, which we extend beyond its original definition in oko2025statistical for contrastive language-image pretraining (CLIP) using KL-divergence. We generalize it to equivalent forms and general f-divergences, and show that minimizing SimCLR and other contrastive losses yields encoders that are approximately sufficient. Furthermore, we demonstrate that these near-sufficient encoders can be effectively adapted to downstream regression and classification tasks, with performance depending on their sufficiency and the error induced by data augmentation in contrastive learning. Concrete examples in linear regression and topic classification are provided to illustrate the broad applicability of our results.

This work studies discrete diffusion probabilistic models with applications to natural language generation. We derive an alternative yet equivalent formulation of the sampling from discrete diffusion processes and leverage this insight to develop a family of reparameterized discrete diffusion models. The derived generic framework is highly flexible, offers a fresh perspective of the generation process in discrete diffusion models, and features more effective training and decoding techniques. We conduct extensive experiments to evaluate the text generation capability of our model, demonstrating significant improvements over existing diffusion models.

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods seldom consider the space group constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering space group constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the space group constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the space group constraint into two parts: the basis constraint of the invariant logarithmic space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking space group constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the space group constraint, and show that our DiffCSP++ achieves promising performance on crystal structure prediction, ab initio crystal generation and controllable generation with customized space groups.

Bayesian filtering approximates the true underlying behavior of a time-varying system by inverting an explicit generative model to convert noisy measurements into state estimates. This process typically requires either storage, inversion, and multiplication of large matrices or Monte Carlo estimation, neither of which are practical in high-dimensional state spaces such as the weight spaces of artificial neural networks. Here, we frame the standard Bayesian filtering problem as optimization over a time-varying objective. Instead of maintaining matrices for the filtering equations or simulating particles, we specify an optimizer that defines the Bayesian filter implicitly. In the linear-Gaussian setting, we show that every Kalman filter has an equivalent formulation using K steps of gradient descent. In the nonlinear setting, our experiments demonstrate that our framework results in filters that are effective, robust, and scalable to high-dimensional systems, comparing well against the standard toolbox of Bayesian filtering solutions. We suggest that it is easier to fine-tune an optimizer than it is to specify the correct filtering equations, making our framework an attractive option for high-dimensional filtering problems.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

Logical reasoning task has attracted great interest since it was proposed. Faced with such a task, current competitive models, even large language models (e.g., ChatGPT and PaLM 2), still perform badly. Previous promising LMs struggle in logical consistency modeling and logical structure perception. To this end, we model the logical reasoning task by transforming each logical sample into reasoning paths and propose an architecture PathReasoner. It addresses the task from the views of both data and model. To expand the diversity of the logical samples, we propose an atom extension strategy supported by equivalent logical formulas, to form new reasoning paths. From the model perspective, we design a stack of transformer-style blocks. In particular, we propose a path-attention module to joint model in-atom and cross-atom relations with the high-order diffusion strategy. Experiments show that PathReasoner achieves competitive performances on two logical reasoning benchmarks and great generalization abilities.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Despite significant advancements in large language models (LLMs) that enhance robot agents' understanding and execution of natural language (NL) commands, ensuring the agents adhere to user-specified constraints remains challenging, particularly for complex commands and long-horizon tasks. To address this challenge, we present three key insights, equivalence voting, constrained decoding, and domain-specific fine-tuning, which significantly enhance LLM planners' capability in handling complex tasks. Equivalence voting ensures consistency by generating and sampling multiple Linear Temporal Logic (LTL) formulas from NL commands, grouping equivalent LTL formulas, and selecting the majority group of formulas as the final LTL formula. Constrained decoding then uses the generated LTL formula to enforce the autoregressive inference of plans, ensuring the generated plans conform to the LTL. Domain-specific fine-tuning customizes LLMs to produce safe and efficient plans within specific task domains. Our approach, Safe Efficient LLM Planner (SELP), combines these insights to create LLM planners to generate plans adhering to user commands with high confidence. We demonstrate the effectiveness and generalizability of SELP across different robot agents and tasks, including drone navigation and robot manipulation. For drone navigation tasks, SELP outperforms state-of-the-art planners by 10.8% in safety rate (i.e., finishing tasks conforming to NL commands) and by 19.8% in plan efficiency. For robot manipulation tasks, SELP achieves 20.4% improvement in safety rate. Our datasets for evaluating NL-to-LTL and robot task planning will be released in github.com/lt-asset/selp.

Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.

Transformers have achieved great success in machine learning applications. Normalization techniques, such as Layer Normalization (LayerNorm, LN) and Root Mean Square Normalization (RMSNorm), play a critical role in accelerating and stabilizing the training of Transformers. While LayerNorm recenters and rescales input vectors, RMSNorm only rescales the vectors by their RMS value. Despite being more computationally efficient, RMSNorm may compromise the representation ability of Transformers. There is currently no consensus regarding the preferred normalization technique, as some models employ LayerNorm while others utilize RMSNorm, especially in recent large language models. It is challenging to convert Transformers with one normalization to the other type. While there is an ongoing disagreement between the two normalization types, we propose a solution to unify two mainstream Transformer architectures, Pre-LN and Pre-RMSNorm Transformers. By removing the inherent redundant mean information in the main branch of Pre-LN Transformers, we can reduce LayerNorm to RMSNorm, achieving higher efficiency. We further propose the Compressed RMSNorm (CRMSNorm) and Pre-CRMSNorm Transformer based on a lossless compression of the zero-mean vectors. We formally establish the equivalence of Pre-LN, Pre-RMSNorm, and Pre-CRMSNorm Transformer variants in both training and inference. It implies that Pre-LN Transformers can be substituted with Pre-(C)RMSNorm counterparts at almost no cost, offering the same arithmetic functionality along with free efficiency improvement. Experiments demonstrate that we can reduce the training and inference time of Pre-LN Transformers by 1% - 10%.

The Empirical Interpolation Method (EIM) is a greedy procedure that constructs approximate representations of two-variable functions in separated form. In its classical presentation, the two variables play a non-symmetric role. In this work, we give an equivalent definition of the EIM approximation, in which the two variables play symmetric roles. Then, we give a proof for the existence of this approximation, and extend it up to the convergence of the EIM, and for any norm chosen to compute the error in the greedy step. Finally, we introduce a way to compute a separated representation in the case where the number of selected values is different for each variable. In the case of a physical field measured by sensors, this is useful to discard a broken sensor while keeping the information provided by the associated selected field.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

We study a family of adversarial multiclass classification problems and provide equivalent reformulations in terms of: 1) a family of generalized barycenter problems introduced in the paper and 2) a family of multimarginal optimal transport problems where the number of marginals is equal to the number of classes in the original classification problem. These new theoretical results reveal a rich geometric structure of adversarial learning problems in multiclass classification and extend recent results restricted to the binary classification setting. A direct computational implication of our results is that by solving either the barycenter problem and its dual, or the MOT problem and its dual, we can recover the optimal robust classification rule and the optimal adversarial strategy for the original adversarial problem. Examples with synthetic and real data illustrate our results.

With the growing scale and complexity of video data, efficiently processing long video sequences poses significant challenges due to the quadratic increase in memory and computational demands associated with existing transformer-based Large Multi-modal Models (LMMs). To address these issues, we introduce Video-Ma^2mba, a novel architecture that incorporates State Space Models (SSMs) within the Mamba-2 framework, replacing the attention mechanisms. This allows the LMMs to scale linearly in terms of time and memory requirements, making it feasible to handle long-duration video content. Furthermore, we enhance the memory efficiency introducing the Multi-Axis Gradient Checkpointing (MA-GC) method, which strategically manages memory by retaining only essential activations across multiple computational axes. Our approach significantly reduces the memory footprint compared to standard gradient checkpointing. Empirical analyses show that Video-Ma^2mba can process extensive video sequences-equivalent to millions of tokens or over two hours of continuous sequences at 1 FPS-on a single GPU. By maintaining a detailed capture of temporal dynamics, our model improves the accuracy and relevance of responses in long video understanding tasks, demonstrating substantial advantages over existing frameworks.

Normal-form games (NFGs) are the fundamental model of strategic interaction. We study their representation using neural networks. We describe the inherent equivariance of NFGs -- any permutation of strategies describes an equivalent game -- as well as the challenges this poses for representation learning. We then propose the NfgTransformer architecture that leverages this equivariance, leading to state-of-the-art performance in a range of game-theoretic tasks including equilibrium-solving, deviation gain estimation and ranking, with a common approach to NFG representation. We show that the resulting model is interpretable and versatile, paving the way towards deep learning systems capable of game-theoretic reasoning when interacting with humans and with each other.

Unsupervised constituency parsing focuses on identifying word sequences that form a syntactic unit (i.e., constituents) in target sentences. Linguists identify the constituent by evaluating a set of Predicate-Argument Structure (PAS) equivalent sentences where we find the constituent appears more frequently than non-constituents (i.e., the constituent corresponds to a frequent word sequence within the sentence set). However, such frequency information is unavailable in previous parsing methods that identify the constituent by observing sentences with diverse PAS. In this study, we empirically show that constituents correspond to frequent word sequences in the PAS-equivalent sentence set. We propose a frequency-based parser span-overlap that (1) computes the span-overlap score as the word sequence's frequency in the PAS-equivalent sentence set and (2) identifies the constituent structure by finding a constituent tree with the maximum span-overlap score. The parser achieves state-of-the-art level parsing accuracy, outperforming existing unsupervised parsers in eight out of ten languages. Additionally, we discover a multilingual phenomenon: participant-denoting constituents tend to have higher span-overlap scores than equal-length event-denoting constituents, meaning that the former tend to appear more frequently in the PAS-equivalent sentence set than the latter. The phenomenon indicates a statistical difference between the two constituent types, laying the foundation for future labeled unsupervised parsing research.

Volatiles like H_2O are present as ice in solids in the outer cold regions of protoplanetary disks and as vapor in the warm inner regions within the water snow line. Icy pebbles drifting inwards from the outer disk sublimate after crossing the snow line, enriching the inner disk with solid mass and water vapor. Meanwhile, proto-planets forming within the disk open gaps in the disk gas, creating traps against the inward drift of pebbles and in turn reducing water enrichment in the inner disk. Recent disk observations from millimeter interferometry and infrared spectroscopy have supported this broad picture by finding a correlation between the outer radial distribution of pebbles and the properties of inner water vapor spectra. In this work, we aim at further informing previous and future observations by building on previous models to explore pebble drift in disks with multiple gaps. We systematically explore multiple gap locations and their depths (equivalent to specific masses of planets forming within), and different particle sizes to study their impact on inner disk water enrichment. We find that the presence of close-in deep gaps carved by a Jupiter-mass planet is likely crucial for blocking icy pebble delivery into the inner disk, while planets with lower masses only provide leaky traps. We also find that disks with multiple gaps show lower vapor enrichment in the inner disk. Altogether, these model results support the idea that inner disk water delivery and planet formation are regulated by the mass and location of the most massive planets.

Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing and understanding natural language, they encounter challenges with mathematical notation, which involves a complex structure and diverse representations. This study focuses on the development of specialized training datasets to enhance the encoding of mathematical content. We introduce Math Mutator (MAMUT), a framework capable of generating equivalent and falsified versions of a given mathematical formula in LaTeX notation, effectively capturing the mathematical variety in notation of the same concept. Based on MAMUT, we have generated four large mathematical datasets containing diverse notation, which can be used to train language models with enhanced mathematical embeddings.

Large Language Models (LLMs) for formal theorem proving have shown significant promise, yet they often lack generalizability and are fragile to even minor transformations of problem statements. To address this limitation, we introduce a novel data augmentation pipeline designed to enhance model robustness from two perspectives: symmetry and difficulty. From the symmetry perspective, we propose two complementary methods: EvolAST, an Abstract Syntax Tree (AST) based approach that targets syntactic symmetry to generate semantically equivalent problem variants, and EvolDomain, which leverages LLMs to address semantic symmetry by translating theorems across mathematical domains. From the difficulty perspective, we propose EvolDifficulty, which uses carefully designed evolutionary instructions to guide LLMs in generating new theorems with a wider range of difficulty. We then use the evolved data to train EvolProver, a 7B-parameter non-reasoning theorem prover. EvolProver establishes a new state-of-the-art (SOTA) on FormalMATH-Lite with a 53.8% pass@32 rate, surpassing all models of comparable size, including reasoning-based models. It also sets new SOTA records for non-reasoning models on MiniF2F-Test (69.8% pass@32), Ineq-Comp-Seed (52.2% pass@32), and Ineq-Comp-Transformed (34.0% pass@32). Ablation studies further confirm our data augmentation pipeline's effectiveness across multiple benchmarks.

In the complex domain of large language models (LLMs), striking a balance between computational efficiency and maintaining model quality is a formidable challenge. Navigating the inherent limitations of uniform quantization, particularly when dealing with outliers, and motivated by the launch of NVIDIA's H100 hardware, this study delves into the viability of floating-point (FP) quantization, particularly focusing on FP8 and FP4, as a potential solution. Our comprehensive investigation reveals that for LLMs, FP8 activation consistently outshines its integer (INT8) equivalent, with the performance edge becoming more noticeable in models possessing parameters beyond one billion. For weight quantization, our findings indicate that FP4 exhibits comparable, if not superior, performance to INT4, simplifying deployment on FP-supported hardware like H100. To mitigate the overhead from precision alignment caused by the disparity between weights and activations, we propose two scaling constraints for weight quantization that negligibly impact the performance compared to the standard W4A8 model. We additionally enhance our quantization methods by integrating the Low Rank Compensation (LoRC) strategy, yielding improvements especially in smaller models. The results of our investigation emphasize the immense potential of FP quantization for LLMs, paving the way for high-efficiency deployment in resource-limited settings.

Linear Transformers and State Space Models have emerged as efficient alternatives to softmax Transformers for causal sequence modeling, enabling parallel training via matrix multiplication and efficient RNN-style inference. However, despite their success in causal tasks, no unified framework exists for applying Linear Transformers to bidirectional sequence modeling. We introduce LION, the first framework to systematically extend Linear Transformers to the bidirectional setting. LION generalizes three core representations commonly used in the causal case - full Linear Attention , bidirectional RNN, and chunkwise parallel form - to the bidirectional setting. These forms are theoretically equivalent and enable models to exploit the strengths of each during training and inference. We prove that a broad class of Linear Transformers can be extended using LION and validate our framework via three core examples based on the choice of decay type: LION-LIT, the bidirectional extension of arXiv:2006.16236; LION-D, based on arXiv:2307.08621; and LION-S, a variant using selective decay arXiv:2103.02143, arXiv:2312.0075. Across standard bidirectional tasks, LION enables models to match or exceed the performance of softmax Transformers, while offering significantly faster training and more efficient inference than existing State Space Models.

The class of tree-adjoining languages can be characterized by various two-level formalisms, consisting of a context-free grammar (CFG) or pushdown automaton (PDA) controlling another CFG or PDA. These four formalisms are equivalent to tree-adjoining grammars (TAG), linear indexed grammars (LIG), pushdown-adjoining automata (PAA), and embedded pushdown automata (EPDA). We define semiring-weighted versions of the above two-level formalisms, and we design new algorithms for computing their stringsums (the weight of all derivations of a string) and allsums (the weight of all derivations). From these, we also immediately obtain stringsum and allsum algorithms for TAG, LIG, PAA, and EPDA. For LIG, our algorithm is more time-efficient by a factor of O(n|N|) (where n is the string length and |N| is the size of the nonterminal set) and more space-efficient by a factor of O(|Gamma|) (where |Gamma| is the size of the stack alphabet) than the algorithm of Vijay-Shanker and Weir (1989). For EPDA, our algorithm is both more space-efficient and time-efficient than the algorithm of Alonso et al. (2001) by factors of O(|Gamma|^2) and O(|Gamma|^3), respectively. Finally, we give the first PAA stringsum and allsum algorithms.

AI for partial differential equations (PDEs) has garnered significant attention, particularly with the emergence of Physics-informed neural networks (PINNs). The recent advent of Kolmogorov-Arnold Network (KAN) indicates that there is potential to revisit and enhance the previously MLP-based PINNs. Compared to MLPs, KANs offer interpretability and require fewer parameters. PDEs can be described in various forms, such as strong form, energy form, and inverse form. While mathematically equivalent, these forms are not computationally equivalent, making the exploration of different PDE formulations significant in computational physics. Thus, we propose different PDE forms based on KAN instead of MLP, termed Kolmogorov-Arnold-Informed Neural Network (KINN). We systematically compare MLP and KAN in various numerical examples of PDEs, including multi-scale, singularity, stress concentration, nonlinear hyperelasticity, heterogeneous, and complex geometry problems. Our results demonstrate that KINN significantly outperforms MLP in terms of accuracy and convergence speed for numerous PDEs in computational solid mechanics, except for the complex geometry problem. This highlights KINN's potential for more efficient and accurate PDE solutions in AI for PDEs.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

A homogeneous roof is a rational homogeneous variety of Picard rank 2 and index r equipped with two different mathbb P^{r-1}-bundle structures. We consider bundles of homogeneous roofs over a smooth projective variety, formulating a relative version of the duality of Calabi--Yau pairs associated to roofs of projective bundles. We discuss how derived equivalence of such pairs can lift to Calabi--Yau fibrations, extending a result of Bridgeland and Maciocia to higher-dimensional cases. We formulate an approach to prove that the DK-conjecture holds for a class of simple K-equivalent maps arising from bundles of roofs. As an example, we propose a pair of eight-dimensional Calabi--Yau varieties fibered in dual Calabi--Yau threefolds, related by a GLSM phase transition, and we prove derived equivalence with the methods above.

In this work, we study the simple yet universally applicable case of reward shaping in value-based Deep Reinforcement Learning (DRL). We show that reward shifting in the form of the linear transformation is equivalent to changing the initialization of the Q-function in function approximation. Based on such an equivalence, we bring the key insight that a positive reward shifting leads to conservative exploitation, while a negative reward shifting leads to curiosity-driven exploration. Accordingly, conservative exploitation improves offline RL value estimation, and optimistic value estimation improves exploration for online RL. We validate our insight on a range of RL tasks and show its improvement over baselines: (1) In offline RL, the conservative exploitation leads to improved performance based on off-the-shelf algorithms; (2) In online continuous control, multiple value functions with different shifting constants can be used to tackle the exploration-exploitation dilemma for better sample efficiency; (3) In discrete control tasks, a negative reward shifting yields an improvement over the curiosity-based exploration method.

There is growing evidence of the effectiveness of Shampoo, a higher-order preconditioning method, over Adam in deep learning optimization tasks. However, Shampoo's drawbacks include additional hyperparameters and computational overhead when compared to Adam, which only updates running averages of first- and second-moment quantities. This work establishes a formal connection between Shampoo (implemented with the 1/2 power) and Adafactor -- a memory-efficient approximation of Adam -- showing that Shampoo is equivalent to running Adafactor in the eigenbasis of Shampoo's preconditioner. This insight leads to the design of a simpler and computationally efficient algorithm: ShampoO with Adam in the Preconditioner's eigenbasis (SOAP). With regards to improving Shampoo's computational efficiency, the most straightforward approach would be to simply compute Shampoo's eigendecomposition less frequently. Unfortunately, as our empirical results show, this leads to performance degradation that worsens with this frequency. SOAP mitigates this degradation by continually updating the running average of the second moment, just as Adam does, but in the current (slowly changing) coordinate basis. Furthermore, since SOAP is equivalent to running Adam in a rotated space, it introduces only one additional hyperparameter (the preconditioning frequency) compared to Adam. We empirically evaluate SOAP on language model pre-training with 360m and 660m sized models. In the large batch regime, SOAP reduces the number of iterations by over 40% and wall clock time by over 35% compared to AdamW, with approximately 20% improvements in both metrics compared to Shampoo. An implementation of SOAP is available at https://github.com/nikhilvyas/SOAP.

While semi-supervised learning (SSL) has yielded promising results, the more realistic SSL scenario remains to be explored, in which the unlabeled data exhibits extremely high recognition difficulty, e.g., fine-grained visual classification in the context of SSL (SS-FGVC). The increased recognition difficulty on fine-grained unlabeled data spells disaster for pseudo-labeling accuracy, resulting in poor performance of the SSL model. To tackle this challenge, we propose Soft Label Selection with Confidence-Aware Clustering based on Class Transition Tracking (SoC) by reconstructing the pseudo-label selection process by jointly optimizing Expansion Objective and Shrinkage Objective, which is based on a soft label manner. Respectively, the former objective encourages soft labels to absorb more candidate classes to ensure the attendance of ground-truth class, while the latter encourages soft labels to reject more noisy classes, which is theoretically proved to be equivalent to entropy minimization. In comparisons with various state-of-the-art methods, our approach demonstrates its superior performance in SS-FGVC. Checkpoints and source code are available at https://github.com/NJUyued/SoC4SS-FGVC.

Floor labels of crowdsourced RF signals are crucial for many smart-city applications, such as multi-floor indoor localization, geofencing, and robot surveillance. To build a prediction model to identify the floor number of a new RF signal upon its measurement, conventional approaches using the crowdsourced RF signals assume that at least few labeled signal samples are available on each floor. In this work, we push the envelope further and demonstrate that it is technically feasible to enable such floor identification with only one floor-labeled signal sample on the bottom floor while having the rest of signal samples unlabeled. We propose FIS-ONE, a novel floor identification system with only one labeled sample. FIS-ONE consists of two steps, namely signal clustering and cluster indexing. We first build a bipartite graph to model the RF signal samples and obtain a latent representation of each node (each signal sample) using our attention-based graph neural network model so that the RF signal samples can be clustered more accurately. Then, we tackle the problem of indexing the clusters with proper floor labels, by leveraging the observation that signals from an access point can be detected on different floors, i.e., signal spillover. Specifically, we formulate a cluster indexing problem as a combinatorial optimization problem and show that it is equivalent to solving a traveling salesman problem, whose (near-)optimal solution can be found efficiently. We have implemented FIS-ONE and validated its effectiveness on the Microsoft dataset and in three large shopping malls. Our results show that FIS-ONE outperforms other baseline algorithms significantly, with up to 23% improvement in adjusted rand index and 25% improvement in normalized mutual information using only one floor-labeled signal sample.

The attention module is the key component in Transformers. While the global attention mechanism offers high expressiveness, its excessive computational cost restricts its applicability in various scenarios. In this paper, we propose a novel attention paradigm, Agent Attention, to strike a favorable balance between computational efficiency and representation power. Specifically, the Agent Attention, denoted as a quadruple (Q, A, K, V), introduces an additional set of agent tokens A into the conventional attention module. The agent tokens first act as the agent for the query tokens Q to aggregate information from K and V, and then broadcast the information back to Q. Given the number of agent tokens can be designed to be much smaller than the number of query tokens, the agent attention is significantly more efficient than the widely adopted Softmax attention, while preserving global context modelling capability. Interestingly, we show that the proposed agent attention is equivalent to a generalized form of linear attention. Therefore, agent attention seamlessly integrates the powerful Softmax attention and the highly efficient linear attention. Extensive experiments demonstrate the effectiveness of agent attention with various vision Transformers and across diverse vision tasks, including image classification, object detection, semantic segmentation and image generation. Notably, agent attention has shown remarkable performance in high-resolution scenarios, owning to its linear attention nature. For instance, when applied to Stable Diffusion, our agent attention accelerates generation and substantially enhances image generation quality without any additional training. Code is available at https://github.com/LeapLabTHU/Agent-Attention.

Pre-trained large language model (LLM) is under exploration to perform NLP tasks that may require logical reasoning. Logic-driven data augmentation for representation learning has been shown to improve the performance of tasks requiring logical reasoning, but most of these data rely on designed templates and therefore lack generalization. In this regard, we propose an AMR-based logical equivalence-driven data augmentation method (AMR-LE) for generating logically equivalent data. Specifically, we first parse a text into the form of an AMR graph, next apply four logical equivalence laws (contraposition, double negation, commutative and implication laws) on the AMR graph to construct a logically equivalent/inequivalent AMR graph, and then convert it into a logically equivalent/inequivalent sentence. To help the model to better learn these logical equivalence laws, we propose a logical equivalence-driven contrastive learning training paradigm, which aims to distinguish the difference between logical equivalence and inequivalence. Our AMR-LE (Ensemble) achieves #2 on the ReClor leaderboard https://eval.ai/web/challenges/challenge-page/503/leaderboard/1347 . Our model shows better performance on seven downstream tasks, including ReClor, LogiQA, MNLI, MRPC, RTE, QNLI, and QQP. The source code and dataset are public at https://github.com/Strong-AI-Lab/Logical-Equivalence-driven-AMR-Data-Augmentation-for-Representation-Learning .

We introduce Aristotle, an AI system that combines formal verification with informal reasoning, achieving gold-medal-equivalent performance on the 2025 International Mathematical Olympiad problems. Aristotle integrates three main components: a Lean proof search system, an informal reasoning system that generates and formalizes lemmas, and a dedicated geometry solver. Our system demonstrates state-of-the-art performance with favorable scaling properties for automated theorem proving.

We present NeRF-XL, a principled method for distributing Neural Radiance Fields (NeRFs) across multiple GPUs, thus enabling the training and rendering of NeRFs with an arbitrarily large capacity. We begin by revisiting existing multi-GPU approaches, which decompose large scenes into multiple independently trained NeRFs, and identify several fundamental issues with these methods that hinder improvements in reconstruction quality as additional computational resources (GPUs) are used in training. NeRF-XL remedies these issues and enables the training and rendering of NeRFs with an arbitrary number of parameters by simply using more hardware. At the core of our method lies a novel distributed training and rendering formulation, which is mathematically equivalent to the classic single-GPU case and minimizes communication between GPUs. By unlocking NeRFs with arbitrarily large parameter counts, our approach is the first to reveal multi-GPU scaling laws for NeRFs, showing improvements in reconstruction quality with larger parameter counts and speed improvements with more GPUs. We demonstrate the effectiveness of NeRF-XL on a wide variety of datasets, including the largest open-source dataset to date, MatrixCity, containing 258K images covering a 25km^2 city area.

Reinforcement Learning From Human Feedback (RLHF) has been a critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference, first we theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-tun dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

Blueshifted absorption is the classic spectroscopic signature of an accretion disc wind in X-ray binaries and cataclysmic variables (CVs). However, outflows can also create pure emission lines, especially at optical wavelengths. Therefore, developing other outflow diagnostics for these types of lines is worthwhile. With this in mind, we construct a systematic grid of 3645 synthetic wind-formed H-alpha line profiles for CVs with the radiative transfer code SIROCCO. Our grid yields a variety of line shapes: symmetric, asymmetric, single- to quadruple-peaked, and even P-Cygni profiles. About 20% of these lines -- our `Gold' sample -- have strengths and widths consistent with observations. We use this grid to test a recently proposed method for identifying wind-formed emission lines based on deviations in the wing profile shape: the `excess equivalent width diagnostic diagram'. We find that our `Gold' sample can preferentially populate the suggested `wind regions' of this diagram. However, the method is highly sensitive to the adopted definition of the line profile `wing'. Hence, we propose a refined definition based on the full-width at half maximum to improve the interpretability of the diagnostic diagram. Furthermore, we define an approximate scaling relation for the strengths of wind-formed CV emission lines in terms of the outflow parameters. This relation provides a fast way to assess whether -- and what kind of -- outflow can produce an observed emission line. All our wind-based models are open-source and we provide an easy-to-use web-based tool to browse our full set of H-alpha spectral profiles.

Implementing Boolean functions with circuits consisting of logic gates is fundamental in digital computer design. However, the implemented circuit must be exactly equivalent, which hinders generative neural approaches on this task due to their occasionally wrong predictions. In this study, we introduce a generative neural model, the "Circuit Transformer", which eliminates such wrong predictions and produces logic circuits strictly equivalent to given Boolean functions. The main idea is a carefully designed decoding mechanism that builds a circuit step-by-step by generating tokens, which has beneficial "cutoff properties" that block a candidate token once it invalidate equivalence. In such a way, the proposed model works similar to typical LLMs while logical equivalence is strictly preserved. A Markov decision process formulation is also proposed for optimizing certain objectives of circuits. Experimentally, we trained an 88-million-parameter Circuit Transformer to generate equivalent yet more compact forms of input circuits, outperforming existing neural approaches on both synthetic and real world benchmarks, without any violation of equivalence constraints.

Large Language Models (LLMs) have emerged as a milestone in artificial intelligence, and their performance can improve as the model size increases. However, this scaling brings great challenges to training and inference efficiency, particularly for deploying LLMs in resource-constrained environments, and the scaling trend is becoming increasingly unsustainable. This paper introduces the concept of ``capacity density'' as a new metric to evaluate the quality of the LLMs across different scales and describes the trend of LLMs in terms of both effectiveness and efficiency. To calculate the capacity density of a given target LLM, we first introduce a set of reference models and develop a scaling law to predict the downstream performance of these reference models based on their parameter sizes. We then define the effective parameter size of the target LLM as the parameter size required by a reference model to achieve equivalent performance, and formalize the capacity density as the ratio of the effective parameter size to the actual parameter size of the target LLM. Capacity density provides a unified framework for assessing both model effectiveness and efficiency. Our further analysis of recent open-source base LLMs reveals an empirical law (the densing law)that the capacity density of LLMs grows exponentially over time. More specifically, using some widely used benchmarks for evaluation, the capacity density of LLMs doubles approximately every three months. The law provides new perspectives to guide future LLM development, emphasizing the importance of improving capacity density to achieve optimal results with minimal computational overhead.

As large language models (LLMs) are increasingly applied to scientific reasoning, the complexity of answer formats and the diversity of equivalent expressions make answer verification a critical yet challenging task. Existing verification studies in scientific domains suffer from two major limitations: (a) the absence of systematic evaluation standards and insufficient disciplinary coverage, which hinders their comprehensive assessment; and (b) heavy reliance on cumbersome rule design or prompt engineering, which reduces their effectiveness in complex reasoning scenarios or limits their cross-disciplinary generalization. To address these challenges, we propose solutions at both the data and model levels. On the data side, we construct SCI-VerifyBench, a cross-disciplinary benchmark covering mathematics, physics, biology, chemistry, and general scientific QA. The benchmark is built from real LLM responses and enhanced with domain-specific equivalence transformations that generate challenging and realistic data. Model-based and expert annotations ensure both quality and diversity, enabling rigorous evaluation of verification ability. On the model side, we emphasize the importance of reasoning for verification and introduce SCI-Verifier, a unified reasoning-augmented verifier for scientific domains. Through post-training, SCI-Verifier demonstrates strong logical reasoning and equivalence judgment capabilities while maintaining concise and stable outputs. Together, SCI-VerifyBench and SCI-Verifier provide a principled framework for scientific verification, offering both systematic evaluation and practical pathways to enhance the reliability and applicability of LLMs in scientific domains.

Trustworthy verifiers are essential for the success of reinforcement learning with verifiable reward (RLVR), which is the core methodology behind various large reasoning models such as DeepSeek-R1. In complex domains like mathematical reasoning, rule-based verifiers have been widely adopted in previous works to train strong reasoning models. However, the reliability of these verifiers and their impact on the RL training process remain poorly understood. In this work, we take mathematical reasoning as a case study and conduct a comprehensive analysis of various verifiers in both static evaluation and RL training scenarios. First, we find that current open-source rule-based verifiers often fail to recognize equivalent answers presented in different formats across multiple commonly used mathematical datasets, resulting in non-negligible false negative rates. This limitation adversely affects RL training performance and becomes more pronounced as the policy model gets stronger. Subsequently, we investigate model-based verifiers as a potential solution to address these limitations. While the static evaluation shows that model-based verifiers achieve significantly higher verification accuracy, further analysis and RL training results imply that they are highly susceptible to hacking, where they misclassify certain patterns in responses as correct (i.e., false positives). This vulnerability is exploited during policy model optimization, leading to artificially inflated rewards. Our findings underscore the unique risks inherent to both rule-based and model-based verifiers, aiming to offer valuable insights to develop more robust reward systems in reinforcement learning.

Communication compression, a technique aiming to reduce the information volume to be transmitted over the air, has gained great interests in Federated Learning (FL) for the potential of alleviating its communication overhead. However, communication compression brings forth new challenges in FL due to the interplay of compression-incurred information distortion and inherent characteristics of FL such as partial participation and data heterogeneity. Despite the recent development, the performance of compressed FL approaches has not been fully exploited. The existing approaches either cannot accommodate arbitrary data heterogeneity or partial participation, or require stringent conditions on compression. In this paper, we revisit the seminal stochastic controlled averaging method by proposing an equivalent but more efficient/simplified formulation with halved uplink communication costs. Building upon this implementation, we propose two compressed FL algorithms, SCALLION and SCAFCOM, to support unbiased and biased compression, respectively. Both the proposed methods outperform the existing compressed FL methods in terms of communication and computation complexities. Moreover, SCALLION and SCAFCOM accommodates arbitrary data heterogeneity and do not make any additional assumptions on compression errors. Experiments show that SCALLION and SCAFCOM can match the performance of corresponding full-precision FL approaches with substantially reduced uplink communication, and outperform recent compressed FL methods under the same communication budget.

Classifier-Free Guidance (CFG) has recently emerged in text-to-image generation as a lightweight technique to encourage prompt-adherence in generations. In this work, we demonstrate that CFG can be used broadly as an inference-time technique in pure language modeling. We show that CFG (1) improves the performance of Pythia, GPT-2 and LLaMA-family models across an array of tasks: Q\&A, reasoning, code generation, and machine translation, achieving SOTA on LAMBADA with LLaMA-7B over PaLM-540B; (2) brings improvements equivalent to a model with twice the parameter-count; (3) can stack alongside other inference-time methods like Chain-of-Thought and Self-Consistency, yielding further improvements in difficult tasks; (4) can be used to increase the faithfulness and coherence of assistants in challenging form-driven and content-driven prompts: in a human evaluation we show a 75\% preference for GPT4All using CFG over baseline.