Daily Papers

Tables are ubiquitous across various domains for concisely representing structured information. Empowering large language models (LLMs) to reason over tabular data represents an actively explored direction. However, since typical LLMs only support one-dimensional~(1D) inputs, existing methods often flatten the two-dimensional~(2D) table structure into a sequence of tokens, which can severely disrupt the spatial relationships and result in an inevitable loss of vital contextual information. In this paper, we first empirically demonstrate the detrimental impact of such flattening operations on the performance of LLMs in capturing the spatial information of tables through two elaborate proxy tasks. Subsequently, we introduce a simple yet effective positional encoding method, termed ``2D-TPE'' (Two-Dimensional Table Positional Encoding), to address this challenge. 2D-TPE enables each attention head to dynamically select a permutation order of tokens within the context for attending to them, where each permutation represents a distinct traversal mode for the table, such as column-wise or row-wise traversal. 2D-TPE effectively mitigates the risk of losing essential spatial information while preserving computational efficiency, thus better preserving the table structure. Extensive experiments across five benchmarks demonstrate that 2D-TPE outperforms strong baselines, underscoring the importance of preserving the table structure for accurate table comprehension. Comprehensive analysis further reveals the substantially better scalability of 2D-TPE to large tables than baselines.

Unsupervised object-centric learning aims to decompose scenes into interpretable object entities, termed slots. Slot-based auto-encoders stand out as a prominent method for this task. Within them, crucial aspects include guiding the encoder to generate object-specific slots and ensuring the decoder utilizes them during reconstruction. This work introduces two novel techniques, (i) an attention-based self-training approach, which distills superior slot-based attention masks from the decoder to the encoder, enhancing object segmentation, and (ii) an innovative patch-order permutation strategy for autoregressive transformers that strengthens the role of slot vectors in reconstruction. The effectiveness of these strategies is showcased experimentally. The combined approach significantly surpasses prior slot-based autoencoder methods in unsupervised object segmentation, especially with complex real-world images. We provide the implementation code at https://github.com/gkakogeorgiou/spot .

Transformer tends to overallocate attention to irrelevant context. In this work, we introduce Diff Transformer, which amplifies attention to the relevant context while canceling noise. Specifically, the differential attention mechanism calculates attention scores as the difference between two separate softmax attention maps. The subtraction cancels noise, promoting the emergence of sparse attention patterns. Experimental results on language modeling show that Diff Transformer outperforms Transformer in various settings of scaling up model size and training tokens. More intriguingly, it offers notable advantages in practical applications, such as long-context modeling, key information retrieval, hallucination mitigation, in-context learning, and reduction of activation outliers. By being less distracted by irrelevant context, Diff Transformer can mitigate hallucination in question answering and text summarization. For in-context learning, Diff Transformer not only enhances accuracy but is also more robust to order permutation, which was considered as a chronic robustness issue. The results position Diff Transformer as a highly effective and promising architecture to advance large language models.

Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely unordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block's probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN. Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules.

We define a new class of set functions that in addition to being monotone and subadditive, also admit a very limited form of submodularity defined over a permutation of the ground set. We refer to this permutation as a submodular order. This class of functions includes monotone submodular functions as a sub-family. To understand the importance of this structure in optimization problems we consider the problem of maximizing function value under various types of constraints. To demonstrate the modeling power of submodular order functions we show applications in two different settings. First, we apply our results to the extensively studied problem of assortment optimization. While the objectives in assortment optimization are known to be non-submodular (and non-monotone) even for simple choice models, we show that they are compatible with the notion of submodular order. Consequently, we obtain new and in some cases the first constant factor guarantee for constrained assortment optimization in fundamental choice models. As a second application of submodular order functions, we show an intriguing connection to the maximization of monotone submodular functions in the streaming model. We recover some best known guarantees for this problem as a corollary of our results.

The assumption that response and predictor belong to the same statistical unit may be violated in practice. Unbiased estimation and recovery of true label ordering based on unlabeled data are challenging tasks and have attracted increasing attentions in the recent literature. In this paper, we present a relatively complete analysis of label permutation problem for the generalized linear model with multivariate responses. The theory is established under different scenarios, with knowledge of true parameters, with partial knowledge of underlying label permutation matrix and without any knowledge. Our results remove the stringent conditions required by the current literature and are further extended to the missing observation setting which has never been considered in the field of label permutation problem. On computational side, we propose two methods, "maximum likelihood estimation" algorithm and "two-step estimation" algorithm, to accommodate for different settings. When the proportion of permuted labels is moderate, both methods work effectively. Multiple numerical experiments are provided and corroborate our theoretical findings.

Large language models (LLMs) exhibit positional bias in how they use context, which especially complicates listwise ranking. To address this, we propose permutation self-consistency, a form of self-consistency over ranking list outputs of black-box LLMs. Our key idea is to marginalize out different list orders in the prompt to produce an order-independent ranking with less positional bias. First, given some input prompt, we repeatedly shuffle the list in the prompt and pass it through the LLM while holding the instructions the same. Next, we aggregate the resulting sample of rankings by computing the central ranking closest in distance to all of them, marginalizing out prompt order biases in the process. Theoretically, we prove the robustness of our method, showing convergence to the true ranking in the presence of random perturbations. Empirically, on five list-ranking datasets in sorting and passage reranking, our approach improves scores from conventional inference by up to 7-18% for GPT-3.5 and 8-16% for LLaMA v2 (70B), surpassing the previous state of the art in passage reranking. Our code is at https://github.com/castorini/perm-sc.

We introduce pi^3, a feed-forward neural network that offers a novel approach to visual geometry reconstruction, breaking the reliance on a conventional fixed reference view. Previous methods often anchor their reconstructions to a designated viewpoint, an inductive bias that can lead to instability and failures if the reference is suboptimal. In contrast, pi^3 employs a fully permutation-equivariant architecture to predict affine-invariant camera poses and scale-invariant local point maps without any reference frames. This design makes our model inherently robust to input ordering and highly scalable. These advantages enable our simple and bias-free approach to achieve state-of-the-art performance on a wide range of tasks, including camera pose estimation, monocular/video depth estimation, and dense point map reconstruction. Code and models are publicly available.

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.

Instructing large language models (LLMs) to solve elementary school math problems has shown great success using Chain of Thought (CoT). However, the CoT approach relies on an LLM to generate a sequence of arithmetic calculations which can be prone to cascaded calculation errors. We hypothesize that an LLM should focus on extracting predicates and generating symbolic formulas from the math problem description so that the underlying calculation can be done via an external code interpreter. We investigate using LLM to generate Prolog programs to solve mathematical questions. Experimental results show that our Prolog-based arithmetic problem-solving outperforms CoT generation in the GSM8K benchmark across three distinct LLMs. In addition, given the insensitive ordering of predicates and symbolic formulas in Prolog, we propose to permute the ground truth predicates for more robust LLM training via data augmentation.

Positional embeddings (PE) play a crucial role in Vision Transformers (ViTs) by providing spatial information otherwise lost due to the permutation invariant nature of self attention. While absolute positional embeddings (APE) have shown theoretical advantages over relative positional embeddings (RPE), particularly due to the ability of sinusoidal functions to preserve spatial inductive biases like monotonicity and shift invariance, a fundamental challenge arises when mapping a 2D grid to a 1D sequence. Existing methods have mostly overlooked or never explored the impact of patch ordering in positional embeddings. To address this, we propose LOOPE, a learnable patch-ordering method that optimizes spatial representation for a given set of frequencies, providing a principled approach to patch order optimization. Empirical results show that our PE significantly improves classification accuracy across various ViT architectures. To rigorously evaluate the effectiveness of positional embeddings, we introduce the "Three Cell Experiment", a novel benchmarking framework that assesses the ability of PEs to retain relative and absolute positional information across different ViT architectures. Unlike standard evaluations, which typically report a performance gap of 4 to 6% between models with and without PE, our method reveals a striking 30 to 35% difference, offering a more sensitive diagnostic tool to measure the efficacy of PEs. Our experimental analysis confirms that the proposed LOOPE demonstrates enhanced effectiveness in retaining both relative and absolute positional information.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Existing cross-encoder models can be categorized as pointwise, pairwise, or listwise. Pairwise and listwise models allow passage interactions, which typically makes them more effective than pointwise models but less efficient and less robust to input passage order permutations. To enable efficient permutation-invariant passage interactions during re-ranking, we propose a new cross-encoder architecture with inter-passage attention: the Set-Encoder. In experiments on TREC Deep Learning and TIREx, the Set-Encoder is as effective as state-of-the-art listwise models while being more efficient and invariant to input passage order permutations. Compared to pointwise models, the Set-Encoder is particularly more effective when considering inter-passage information, such as novelty, and retains its advantageous properties compared to other listwise models. Our code is publicly available at https://github.com/webis-de/ECIR-25.

Contrastive learning has become an important tool in learning representations from unlabeled data mainly relying on the idea of minimizing distance between positive data pairs, e.g., views from the same images, and maximizing distance between negative data pairs, e.g., views from different images. This paper proposes a new variation of the contrastive learning objective, Group Ordering Constraints (GroCo), that leverages the idea of sorting the distances of positive and negative pairs and computing the respective loss based on how many positive pairs have a larger distance than the negative pairs, and thus are not ordered correctly. To this end, the GroCo loss is based on differentiable sorting networks, which enable training with sorting supervision by matching a differentiable permutation matrix, which is produced by sorting a given set of scores, to a respective ground truth permutation matrix. Applying this idea to groupwise pre-ordered inputs of multiple positive and negative pairs allows introducing the GroCo loss with implicit emphasis on strong positives and negatives, leading to better optimization of the local neighborhood. We evaluate the proposed formulation on various self-supervised learning benchmarks and show that it not only leads to improved results compared to vanilla contrastive learning but also shows competitive performance to comparable methods in linear probing and outperforms current methods in k-NN performance.

While large language models (LLMs) have achieved impressive performance across diverse tasks, recent studies showcase that causal LLMs suffer from the "reversal curse". It is a typical example that the model knows "A's father is B", but is unable to reason "B's child is A". This limitation poses a challenge to the advancement of artificial general intelligence (AGI), as it suggests a gap in the models' ability to comprehend and apply bidirectional reasoning. In this paper, we first conduct substantial evaluation and identify that the root cause of the reversal curse lies in the different word order between the training and inference stage, namely, the poor ability of causal language models to predict antecedent words within the training data. Accordingly, permutation on the training data is considered as a potential solution, since this can make the model predict antecedent words or tokens. However, previous permutation methods may disrupt complete phrases or entities, thereby posing challenges for the model to comprehend and learn from training data. To address this issue, we propose Semantic-aware Permutation Training (SPT), which addresses this issue by segmenting the training sentences into semantic units (i.e., entities or phrases) with an assistant language model and permuting these units before feeding into the model. Extensive experiments demonstrate that SPT effectively mitigates the reversal curse since the performance on reversed questions approximates that on the forward ones, and significantly advances the performance of existing works.

Multi-hop Question Answering (MHQA) adds layers of complexity to question answering, making it more challenging. When Language Models (LMs) are prompted with multiple search results, they are tasked not only with retrieving relevant information but also employing multi-hop reasoning across the information sources. Although LMs perform well on traditional question-answering tasks, the causal mask can hinder their capacity to reason across complex contexts. In this paper, we explore how LMs respond to multi-hop questions by permuting search results (retrieved documents) under various configurations. Our study reveals interesting findings as follows: 1) Encoder-decoder models, such as the ones in the Flan-T5 family, generally outperform causal decoder-only LMs in MHQA tasks, despite being significantly smaller in size; 2) altering the order of gold documents reveals distinct trends in both Flan T5 models and fine-tuned decoder-only models, with optimal performance observed when the document order aligns with the reasoning chain order; 3) enhancing causal decoder-only models with bi-directional attention by modifying the causal mask can effectively boost their end performance. In addition to the above, we conduct a thorough investigation of the distribution of LM attention weights in the context of MHQA. Our experiments reveal that attention weights tend to peak at higher values when the resulting answer is correct. We leverage this finding to heuristically improve LMs' performance on this task. Our code is publicly available at https://github.com/hwy9855/MultiHopQA-Reasoning.

Autoregressive models excel in modeling sequential dependencies by enforcing causal constraints, yet they struggle to capture complex bidirectional patterns due to their unidirectional nature. In contrast, mask-based models leverage bidirectional context, enabling richer dependency modeling. However, they often assume token independence during prediction, which undermines the modeling of sequential dependencies. Additionally, the corruption of sequences through masking or absorption can introduce unnatural distortions, complicating the learning process. To address these issues, we propose Bidirectional Autoregressive Diffusion (BAD), a novel approach that unifies the strengths of autoregressive and mask-based generative models. BAD utilizes a permutation-based corruption technique that preserves the natural sequence structure while enforcing causal dependencies through randomized ordering, enabling the effective capture of both sequential and bidirectional relationships. Comprehensive experiments show that BAD outperforms autoregressive and mask-based models in text-to-motion generation, suggesting a novel pre-training strategy for sequence modeling. The codebase for BAD is available on https://github.com/RohollahHS/BAD.

Large language models perform near-Bayesian inference yet violate permutation invariance on exchangeable data. We resolve this by showing transformers minimize expected conditional description length (cross-entropy) over orderings, E_pi[ell(Y mid Gamma_pi(X))], which admits a Kolmogorov-complexity interpretation up to additive constants, rather than the permutation-invariant description length ell(Y mid X). This makes them Bayesian in expectation, not in realization. We derive (i) a Quantified Martingale Violation bound showing order-induced deviations scale as O(log n) with constants; (ii) the Expectation-level Decompression Law linking information budgets to reliability for Bernoulli predicates; and (iii) deployable planners (B2T/RoH/ISR) for answer/abstain decisions. Empirically, permutation dispersion follows a+bln n (Qwen2-7B b approx 0.377, Llama-3.1-8B b approx 0.147); permutation mixtures improve ground-truth likelihood/accuracy; and randomized dose-response shows hallucinations drop by sim 0.13 per additional nat. A pre-specified audit with a fixed ISR=1.0 achieves near-0\% hallucinations via calibrated refusal at 24\% abstention. The framework turns hallucinations into predictable compression failures and enables principled information budgeting.

Reinforcement learning based post-training has recently emerged as a powerful paradigm for enhancing the alignment and reasoning capabilities of multimodal large language models (MLLMs). While vision-centric post-training is crucial for enhancing MLLMs' intrinsic understanding of visual signals, current post-training paradigms are predominantly text-centric, where dense visual inputs are only leveraged to extract sparse cues for text-based reasoning. There exist a few approaches in this direction, however, they often still rely on text as an intermediate mediator or introduce additional visual generative designs. In this work, we introduce Visual Jigsaw, a generic self-supervised post-training framework designed to strengthen visual understanding in MLLMs. Visual Jigsaw is formulated as a general ordering task: visual inputs are partitioned, shuffled, and the model must reconstruct the visual information by producing the correct permutation in natural language. This naturally aligns with reinforcement learning from verifiable rewards (RLVR), requires no additional visual generative components, and derives its supervisory signal automatically without any annotations. We instantiate Visual Jigsaw across three visual modalities, including images, videos, and 3D data. Extensive experiments demonstrate substantial improvements in fine-grained perception, temporal reasoning, and 3D spatial understanding. Our findings highlight the potential of self-supervised vision-centric tasks in post-training MLLMs and aim to inspire further research on vision-centric pretext designs. Project Page: https://penghao-wu.github.io/visual_jigsaw/

Sequence models such as transformers require inputs to be represented as one-dimensional sequences. In vision, this typically involves flattening images using a fixed row-major (raster-scan) order. While full self-attention is permutation-equivariant, modern long-sequence transformers increasingly rely on architectural approximations that break this invariance and introduce sensitivity to patch ordering. We show that patch order significantly affects model performance in such settings, with simple alternatives like column-major or Hilbert curves yielding notable accuracy shifts. Motivated by this, we propose REOrder, a two-stage framework for discovering task-optimal patch orderings. First, we derive an information-theoretic prior by evaluating the compressibility of various patch sequences. Then, we learn a policy over permutations by optimizing a Plackett-Luce policy using REINFORCE. This approach enables efficient learning in a combinatorial permutation space. REOrder improves top-1 accuracy over row-major ordering on ImageNet-1K by up to 3.01% and Functional Map of the World by 13.35%.

The output structure of database-like tables, consisting of values structured in horizontal rows and vertical columns identifiable by name, can cover a wide range of NLP tasks. Following this constatation, we propose a framework for text-to-table neural models applicable to problems such as extraction of line items, joint entity and relation extraction, or knowledge base population. The permutation-based decoder of our proposal is a generalized sequential method that comprehends information from all cells in the table. The training maximizes the expected log-likelihood for a table's content across all random permutations of the factorization order. During the content inference, we exploit the model's ability to generate cells in any order by searching over possible orderings to maximize the model's confidence and avoid substantial error accumulation, which other sequential models are prone to. Experiments demonstrate a high practical value of the framework, which establishes state-of-the-art results on several challenging datasets, outperforming previous solutions by up to 15%.

In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE employs higher order message passing to encode the graph while learning to partition it into mutually exclusive clusters and coarsening into a lower resolution that eventually creates a hierarchy of latent distributions. MGVAE then constructs a hierarchical generative model to variationally decode into a hierarchy of coarsened graphs. Importantly, our proposed framework is end-to-end permutation equivariant with respect to node ordering. MGVAE achieves competitive results with several generative tasks including general graph generation, molecular generation, unsupervised molecular representation learning to predict molecular properties, link prediction on citation graphs, and graph-based image generation.

Linear Mode Connectivity (LMC) refers to the phenomenon that performance remains consistent for linearly interpolated models in the parameter space. For independently optimized model pairs from different random initializations, achieving LMC is considered crucial for validating the stable success of the non-convex optimization in modern machine learning models and for facilitating practical parameter-based operations such as model merging. While LMC has been achieved for neural networks by considering the permutation invariance of neurons in each hidden layer, its attainment for other models remains an open question. In this paper, we first achieve LMC for soft tree ensembles, which are tree-based differentiable models extensively used in practice. We show the necessity of incorporating two invariances: subtree flip invariance and splitting order invariance, which do not exist in neural networks but are inherent to tree architectures, in addition to permutation invariance of trees. Moreover, we demonstrate that it is even possible to exclude such additional invariances while keeping LMC by designing decision list-based tree architectures, where such invariances do not exist by definition. Our findings indicate the significance of accounting for architecture-specific invariances in achieving LMC.

The sparse Mixture-of-Experts (Sparse-MoE) framework efficiently scales up model capacity in various domains, such as natural language processing and vision. Sparse-MoEs select a subset of the "experts" (thus, only a portion of the overall network) for each input sample using a sparse, trainable gate. Existing sparse gates are prone to convergence and performance issues when training with first-order optimization methods. In this paper, we introduce two improvements to current MoE approaches. First, we propose a new sparse gate: COMET, which relies on a novel tree-based mechanism. COMET is differentiable, can exploit sparsity to speed up computation, and outperforms state-of-the-art gates. Second, due to the challenging combinatorial nature of sparse expert selection, first-order methods are typically prone to low-quality solutions. To deal with this challenge, we propose a novel, permutation-based local search method that can complement first-order methods in training any sparse gate, e.g., Hash routing, Top-k, DSelect-k, and COMET. We show that local search can help networks escape bad initializations or solutions. We performed large-scale experiments on various domains, including recommender systems, vision, and natural language processing. On standard vision and recommender systems benchmarks, COMET+ (COMET with local search) achieves up to 13% improvement in ROC AUC over popular gates, e.g., Hash routing and Top-k, and up to 9% over prior differentiable gates e.g., DSelect-k. When Top-k and Hash gates are combined with local search, we see up to 100times reduction in the budget needed for hyperparameter tuning. Moreover, for language modeling, our approach improves over the state-of-the-art MoEBERT model for distilling BERT on 5/7 GLUE benchmarks as well as SQuAD dataset.

Recently, there has been a surge of Transformer-based solutions for the long-term time series forecasting (LTSF) task. Despite the growing performance over the past few years, we question the validity of this line of research in this work. Specifically, Transformers is arguably the most successful solution to extract the semantic correlations among the elements in a long sequence. However, in time series modeling, we are to extract the temporal relations in an ordered set of continuous points. While employing positional encoding and using tokens to embed sub-series in Transformers facilitate preserving some ordering information, the nature of the permutation-invariant self-attention mechanism inevitably results in temporal information loss. To validate our claim, we introduce a set of embarrassingly simple one-layer linear models named LTSF-Linear for comparison. Experimental results on nine real-life datasets show that LTSF-Linear surprisingly outperforms existing sophisticated Transformer-based LTSF models in all cases, and often by a large margin. Moreover, we conduct comprehensive empirical studies to explore the impacts of various design elements of LTSF models on their temporal relation extraction capability. We hope this surprising finding opens up new research directions for the LTSF task. We also advocate revisiting the validity of Transformer-based solutions for other time series analysis tasks (e.g., anomaly detection) in the future. Code is available at: https://github.com/cure-lab/LTSF-Linear.

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

Prompt Tuning is emerging as a scalable and cost-effective method to fine-tune Pretrained Language Models (PLMs), which are often referred to as Large Language Models (LLMs). This study benchmarks the performance and computational efficiency of Prompt Tuning and baselines for multi-label text classification. This is applied to the challenging task of classifying companies into an investment firm's proprietary industry taxonomy, supporting their thematic investment strategy. Text-to-text classification is frequently reported to outperform task-specific classification heads, but has several limitations when applied to a multi-label classification problem where each label consists of multiple tokens: (a) Generated labels may not match any label in the label taxonomy; (b) The fine-tuning process lacks permutation invariance and is sensitive to the order of the provided labels; (c) The model provides binary decisions rather than appropriate confidence scores. Limitation (a) is addressed by applying constrained decoding using Trie Search, which slightly improves classification performance. All limitations (a), (b), and (c) are addressed by replacing the PLM's language head with a classification head, which is referred to as Prompt Tuned Embedding Classification (PTEC). This improves performance significantly, while also reducing computational costs during inference. In our industrial application, the training data is skewed towards well-known companies. We confirm that the model's performance is consistent across both well-known and less-known companies. Our overall results indicate the continuing need to adapt state-of-the-art methods to domain-specific tasks, even in the era of PLMs with strong generalization abilities. We release our codebase and a benchmarking dataset at https://github.com/EQTPartners/PTEC.

The question of whether there exists a finite group of order at least three in which every element except one is a commutator has remained unresolved in group theory. In this article, we address this open problem by developing an algorithmic approach that leverages several group theoretic properties of such groups. Specifically, we utilize a result of Frobenius and various necessary properties of such groups, combined with Plesken and Holt's extensive enumeration of finite perfect groups, to systematically examine all finite groups up to a certain order for the desired property. The computational core of our work is implemented using the computer system GAP (Groups, Algorithms, and Programming). We discover two nonisomorphic groups of order 368,640 that exhibit the desired property. Our investigation also establishes that this order is the minimum order for such a group to exist. As a result, this study provides a positive answer to Problem 17.76 in the Kourovka Notebook. In addition to the algorithmic framework, this paper provides a structural description of one of the two groups found.

The Markov numbers are positive integers appearing as solutions to the Diophantine equation x^2 + y^2 + z^2 = 3xyz. These numbers are very well-studied and have many combinatorial properties, as well as being the source of the long-standing unicity conjecture. In 2018, Canakc{\i} and Schiffler showed that the Markov number m_{a{b}} is the number of perfect matchings of a certain snake graph corresponding to the Christoffel path from (0,0) to (a,b). Based on this correspondence, Schiffler in 2023 introduced two orderings on lattice paths. For any path omega, associate a snake graph G(omega) and a continued fraction g(omega). The ordering <_M is given by the number of perfect matchings on G(omega), and the ordering <_L is given by the Lagrange number of g(omega). In this work, we settle two conjectures of Schiffler. First, we show that the path omega(a,b) = RRcdots R UU cdots U is the unique maximum over all lattice paths from (0,0) to (a,b) with respect to both orderings <_M and <_L. We then use this result to prove that sup L(omega) over all lattice paths is exactly 1+sqrt5.

We present a principled approach to uncover the structure of visual data by solving a novel deep learning task coined visual permutation learning. The goal of this task is to find the permutation that recovers the structure of data from shuffled versions of it. In the case of natural images, this task boils down to recovering the original image from patches shuffled by an unknown permutation matrix. Unfortunately, permutation matrices are discrete, thereby posing difficulties for gradient-based methods. To this end, we resort to a continuous approximation of these matrices using doubly-stochastic matrices which we generate from standard CNN predictions using Sinkhorn iterations. Unrolling these iterations in a Sinkhorn network layer, we propose DeepPermNet, an end-to-end CNN model for this task. The utility of DeepPermNet is demonstrated on two challenging computer vision problems, namely, (i) relative attributes learning and (ii) self-supervised representation learning. Our results show state-of-the-art performance on the Public Figures and OSR benchmarks for (i) and on the classification and segmentation tasks on the PASCAL VOC dataset for (ii).

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data types, such as graphs, the canonical ordering is less obvious. To address this problem, we introduce a variant of ARM that generates high-dimensional data using a probabilistic ordering that is sequentially inferred from data. This model incorporates a trainable probability distribution, referred to as an order-policy, that dynamically decides the autoregressive order in a state-dependent manner. To train the model, we introduce a variational lower bound on the exact log-likelihood, which we optimize with stochastic gradient estimation. We demonstrate experimentally that our method can learn meaningful autoregressive orderings in image and graph generation. On the challenging domain of molecular graph generation, we achieve state-of-the-art results on the QM9 and ZINC250k benchmarks, evaluated using the Fr\'{e}chet ChemNet Distance (FCD).

Reordering is a preprocessing stage for Statistical Machine Translation (SMT) system where the words of the source sentence are reordered as per the syntax of the target language. We are proposing a rich set of rules for better reordering. The idea is to facilitate the training process by better alignments and parallel phrase extraction for a phrase-based SMT system. Reordering also helps the decoding process and hence improving the machine translation quality. We have observed significant improvements in the translation quality by using our approach over the baseline SMT. We have used BLEU, NIST, multi-reference word error rate, multi-reference position independent error rate for judging the improvements. We have exploited open source SMT toolkit MOSES to develop the system.

This paper discusses about a sorting algorithm which uses the concept of buckets where each bucket represents a certain number of digits. A two dimensional data structure is used where one dimension represents buckets i. e; number of digits and each bucket's corresponding dimensions represents the input numbers that belong to that bucket. Each bucket is then individually sorted. Since every preceding bucket elements will always be smaller than the succeeding buckets no comparison between them is required. By doing this we can significantly reduced the time complexity of any sorting algorithm used to sort the given set of inputs.

The higher Bruhat orders B(n,k) were introduced by Manin-Schechtman to study discriminantal hyperplane arrangements and subsequently studied by Ziegler, who connected B(n,k) to oriented matroids. In this paper, we consider the enumeration of B(n,k) and improve upon Balko's asymptotic lower and upper bounds on |B(n,k)| by a factor exponential in k. A proof of Ziegler's formula for |B(n,n-3)| is given and a bijection between a certain subset of B(n,n-4) and totally symmetric plane partitions is proved. Central to our proofs are deletion and contraction operations for the higher Bruhat orders, defined in analogy with matroids. Dual higher Bruhat orders are also introduced, and we construct isomorphisms relating the higher Bruhat orders and their duals. Additionally, weaving functions are introduced to generalize Felsner's encoding of elements in B(n,2) to all higher Bruhat orders B(n,k).

Self-supervised learning of convolutional neural networks can harness large amounts of cheap unlabeled data to train powerful feature representations. As surrogate task, we jointly address ordering of visual data in the spatial and temporal domain. The permutations of training samples, which are at the core of self-supervision by ordering, have so far been sampled randomly from a fixed preselected set. Based on deep reinforcement learning we propose a sampling policy that adapts to the state of the network, which is being trained. Therefore, new permutations are sampled according to their expected utility for updating the convolutional feature representation. Experimental evaluation on unsupervised and transfer learning tasks demonstrates competitive performance on standard benchmarks for image and video classification and nearest neighbor retrieval.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

We study the conditions under which the convex relaxation of a mixed-integer linear programming formulation for ordered optimization problems, where sorting is part of the decision process, yields integral optimal solutions. Thereby solving the problem exactly in polynomial time. Our analysis identifies structural properties of the input data that influence the integrality of the relaxation. We show that incorporating ordered components introduces additional layers of combinatorial complexity that invalidate the exactness observed in classical (non-ordered) settings. In particular, for certain ordered problems such as the min--max case, the linear relaxation never recovers the integral solution. These results clarify the intrinsic hardness introduced by sorting and reveal that the strength of the relaxation depends critically on the ``proximity'' of the ordered problem to its classical counterpart: problems closer to the non-ordered case tend to admit tighter relaxations, while those further away exhibit substantially weaker behavior. Computational experiments on benchmark instances confirm the predictive value of the integrality conditions and demonstrate the practical implications of exact relaxations for ordered location problems.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

We study the set of networks, which consist of sources, sinks and neutral points, bijective to the permutations. The set of directed edges, which characterizes a network, is constructed from a polyomino or a Rothe diagram of a permutation through a Dyck tiling on a ribbon. We introduce a new combinatorial object similar to a tree-like tableau, which we call a forest. A forest is shown to give a permutation, and be bijective to a network corresponding to the inverse of the permutation. We show that the poset of networks is a finite graded lattice and admits an EL-labeling. By use of this EL-labeling, we show the lattice is supersolvable and compute the M\"obius function of an interval of the poset.

Large language models (LLMs) have accomplished remarkable reasoning performance in various domains. However, in the domain of reasoning tasks, we discover a frailty: LLMs are surprisingly brittle to the ordering of the premises, despite the fact that such ordering does not alter the underlying task. In particular, we observe that LLMs achieve the best performance when the premise order aligns with the context required in intermediate reasoning steps. For example, in deductive reasoning tasks, presenting the premises in the same order as the ground truth proof in the prompt (as opposed to random ordering) drastically increases the model's accuracy. We first examine the effect of premise ordering on deductive reasoning on a variety of LLMs, and our evaluation shows that permuting the premise order can cause a performance drop of over 30%. In addition, we release the benchmark R-GSM, based on GSM8K, to examine the ordering effect for mathematical problem-solving, and we again observe a significant drop in accuracy, relative to the original GSM8K benchmark.

Autoregressive models, such as the GPT family, use a fixed order, usually left-to-right, to generate sequences. However, this is not a necessity. In this paper, we challenge this assumption and show that by simply adding a positional encoding for the output, this order can be modulated on-the-fly per-sample which offers key advantageous properties. It allows for the sampling of and conditioning on arbitrary subsets of tokens, and it also allows sampling in one shot multiple tokens dynamically according to a rejection strategy, leading to a sub-linear number of model evaluations. We evaluate our method across various domains, including language modeling, path-solving, and aircraft vertical rate prediction, decreasing the number of steps required for generation by an order of magnitude.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

For a sequence of random variables (X_1, X_2, ldots, X_n), n geq 1, that are independent and identically distributed with a regularly varying tail with index -alpha, alpha geq 0, we show that the contribution of the maximum term M_n triangleq max(X_1,ldots,X_n) in the sum S_n triangleq X_1 + cdots +X_n, as n to infty, decreases monotonically with alpha in stochastic ordering sense.

We propose Monte Carlo Permutation Search (MCPS), a general-purpose Monte Carlo Tree Search (MCTS) algorithm that improves upon the GRAVE algorithm. MCPS is relevant when deep reinforcement learning is not an option, or when the computing power available before play is not substantial, such as in General Game Playing, for example. The principle of MCPS is to include in the exploration term of a node the statistics on all the playouts that contain all the moves on the path from the root to the node. We extensively test MCPS on a variety of games: board games, wargame, investment game, video game and multi-player games. MCPS has better results than GRAVE in all the two-player games. It has equivalent results for multi-player games because these games are inherently balanced even when players have different strengths. We also show that using abstract codes for moves instead of exact codes can be beneficial to both MCPS and GRAVE, as they improve the permutation statistics and the AMAF statistics. We also provide a mathematical derivation of the formulas used for weighting the three sources of statistics. These formulas are an improvement on the GRAVE formula since they no longer use the bias hyperparameter of GRAVE. Moreover, MCPS is not sensitive to the ref hyperparameter.

We consider the challenging task of training models for image-to-video deblurring, which aims to recover a sequence of sharp images corresponding to a given blurry image input. A critical issue disturbing the training of an image-to-video model is the ambiguity of the frame ordering since both the forward and backward sequences are plausible solutions. This paper proposes an effective self-supervised ordering scheme that allows training high-quality image-to-video deblurring models. Unlike previous methods that rely on order-invariant losses, we assign an explicit order for each video sequence, thus avoiding the order-ambiguity issue. Specifically, we map each video sequence to a vector in a latent high-dimensional space so that there exists a hyperplane such that for every video sequence, the vectors extracted from it and its reversed sequence are on different sides of the hyperplane. The side of the vectors will be used to define the order of the corresponding sequence. Last but not least, we propose a real-image dataset for the image-to-video deblurring problem that covers a variety of popular domains, including face, hand, and street. Extensive experimental results confirm the effectiveness of our method. Code and data are available at https://github.com/VinAIResearch/HyperCUT.git

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

There has been a surge of interest in language model agents that can navigate virtual environments such as the web or desktop. To navigate such environments, agents benefit from information on the various elements (e.g., buttons, text, or images) present. It remains unclear which element attributes have the greatest impact on agent performance, especially in environments that only provide a graphical representation (i.e., pixels). Here we find that the ordering in which elements are presented to the language model is surprisingly impactful--randomizing element ordering in a webpage degrades agent performance comparably to removing all visible text from an agent's state representation. While a webpage provides a hierarchical ordering of elements, there is no such ordering when parsing elements directly from pixels. Moreover, as tasks become more challenging and models more sophisticated, our experiments suggest that the impact of ordering increases. Finding an effective ordering is non-trivial. We investigate the impact of various element ordering methods in web and desktop environments. We find that dimensionality reduction provides a viable ordering for pixel-only environments. We train a UI element detection model to derive elements from pixels and apply our findings to an agent benchmark--OmniACT--where we only have access to pixels. Our method completes more than two times as many tasks on average relative to the previous state-of-the-art.

In this technical note, we study the problem of inverse permutation learning in decoder-only transformers. Given a permutation and a string to which that permutation has been applied, the model is tasked with producing the original (``canonical'') string. We argue that this task models a natural robustness property across a variety of reasoning tasks, including long-context retrieval, multiple choice QA and in-context learning. Our primary contribution is an impossibility result: we show that an arbitrary depth, decoder-only transformer cannot learn this task. This result concerns the expressive capacity of decoder-only transformer models and is agnostic to training dynamics or sample complexity. We give a pair of alternative constructions under which inverse permutation learning is feasible. The first of these highlights the fundamental role of the causal attention mask, and reveals a gap between the expressivity of encoder-decoder transformers and the more popular decoder-only architecture. The latter result is more surprising: we show that simply padding the input with ``scratch tokens" yields a construction under which inverse permutation learning is possible. We conjecture that this may suggest an alternative mechanism by which chain-of-thought prompting or, more generally, intermediate ``thinking'' tokens can enable reasoning in large language models, even when these tokens encode no meaningful semantic information (e.g., the results of intermediate computations).

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

We introduce refutationally complete superposition calculi for intentional and extensional clausal lambda-free higher-order logic, two formalisms that allow partial application and applied variables. The calculi are parameterized by a term order that need not be fully monotonic, making it possible to employ the lambda-free higher-order lexicographic path and Knuth-Bendix orders. We implemented the calculi in the Zipperposition prover and evaluated them on Isabelle/HOL and TPTP benchmarks. They appear promising as a stepping stone towards complete, highly efficient automatic theorem provers for full higher-order logic.

Autoregressive patch-based image generation has recently shown competitive results in terms of image quality and scalability. It can also be easily integrated and scaled within Vision-Language models. Nevertheless, autoregressive models require a defined order for patch generation. While a natural order based on the dictation of the words makes sense for text generation, there is no inherent generation order that exists for image generation. Traditionally, a raster-scan order (from top-left to bottom-right) guides autoregressive image generation models. In this paper, we argue that this order is suboptimal, as it fails to respect the causality of the image content: for instance, when conditioned on a visual description of a sunset, an autoregressive model may generate clouds before the sun, even though the color of clouds should depend on the color of the sun and not the inverse. In this work, we show that first by training a model to generate patches in any-given-order, we can infer both the content and the location (order) of each patch during generation. Secondly, we use these extracted orders to finetune the any-given-order model to produce better-quality images. Through our experiments, we show on two datasets that this new generation method produces better images than the traditional raster-scan approach, with similar training costs and no extra annotations.

In statistics, independent, identically distributed random samples do not carry a natural ordering, and their statistics are typically invariant with respect to permutations of their order. Thus, an n-sample in a space M can be considered as an element of the quotient space of M^n modulo the permutation group. The present paper takes this definition of sample space and the related concept of orbit types as a starting point for developing a geometric perspective on statistics. We aim at deriving a general mathematical setting for studying the behavior of empirical and population means in spaces ranging from smooth Riemannian manifolds to general stratified spaces. We fully describe the orbifold and path-metric structure of the sample space when M is a manifold or path-metric space, respectively. These results are non-trivial even when M is Euclidean. We show that the infinite sample space exists in a Gromov-Hausdorff type sense and coincides with the Wasserstein space of probability distributions on M. We exhibit Fr\'echet means and k-means as metric projections onto 1-skeleta or k-skeleta in Wasserstein space, and we define a new and more general notion of polymeans. This geometric characterization via metric projections applies equally to sample and population means, and we use it to establish asymptotic properties of polymeans such as consistency and asymptotic normality.

A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE from the view of group theory. Our model can incorporate existing models (i.e., generality), ensure the computation is tractable (i.e., efficiency) and enjoy the expressive power of complex random variables (i.e., expressiveness). The core idea is that we embed entities/relations as elements of a symmetric group, i.e., permutations of a set. Permutations of different sets can reflect different properties of embedding. And the group operation of symmetric groups is easy to compute. In specific, we show that the embedding of many existing models, point vectors, can be seen as elements of a symmetric group. To reflect uncertainty, we first embed entities/relations as permutations of a set of random variables. A permutation can transform a simple random variable into a complex random variable for greater expressiveness, called a normalizing flow. We then define scoring functions by measuring the similarity of two normalizing flows, namely NFE. We construct several instantiating models and prove that they are able to learn logical rules. Experimental results demonstrate the effectiveness of introducing uncertainty and our model. The code is available at https://github.com/changyi7231/NFE.

We discuss the numerical solution of initial value problems for varepsilon^2,varphi''+a(x),varphi=0 in the highly oscillatory regime, i.e., with a(x)>0 and 0<varepsilonll 1. We analyze and implement an approximate solution based on the well-known WKB-ansatz. The resulting approximation error is of magnitude O(varepsilon^{N}) where N refers to the truncation order of the underlying asymptotic series. When the optimal truncation order N_{opt} is chosen, the error behaves like O(varepsilon^{-2}exp(-cvarepsilon^{-1})) with some c>0.

The quality of training data impacts the performance of pre-trained large language models (LMs). Given a fixed budget of tokens, we study how to best select data that leads to good downstream model performance across tasks. We develop a new framework based on a simple hypothesis: just as humans acquire interdependent skills in a deliberate order, language models also follow a natural order when learning a set of skills from their training data. If such an order exists, it can be utilized for improved understanding of LMs and for data-efficient training. Using this intuition, our framework formalizes the notion of a skill and of an ordered set of skills in terms of the associated data. First, using both synthetic and real data, we demonstrate that these ordered skill sets exist, and that their existence enables more advanced skills to be learned with less data when we train on their prerequisite skills. Second, using our proposed framework, we introduce an online data sampling algorithm, Skill-It, over mixtures of skills for both continual pre-training and fine-tuning regimes, where the objective is to efficiently learn multiple skills in the former and an individual skill in the latter. On the LEGO synthetic in the continual pre-training setting, Skill-It obtains 36.5 points higher accuracy than random sampling. On the Natural Instructions dataset in the fine-tuning setting, Skill-It reduces the validation loss on the target skill by 13.6% versus training on data associated with the target skill itself. We apply our skills framework on the recent RedPajama dataset to continually pre-train a 3B-parameter LM, achieving higher accuracy on the LM Evaluation Harness with 1B tokens than the baseline approach of sampling uniformly over data sources with 3B tokens.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

The last few years have seen significant experimental progress in characterizing the copper-based hole-doped high temperature superconductors in the regime of low hole density, p. Quantum oscillations, NMR, X-ray, and STM experiments have shed much light on the nature of the ordering at low temperatures. We review evidence that the order parameter in the non-Lanthanum-based cuprates is a d-form factor density-wave. This novel order acts as an unexpected window into the electronic structure of the pseudogap phase at higher temperatures in zero field: we argue in favor of a `fractionalized Fermi liquid' (FL*) with 4 pockets of spin S=1/2, charge +e fermions enclosing an area specified by p.