Daily Papers

Global reanalyses are too coarse to resolve the convective systems that produce most West African monsoon rainfall. In this work, we use U-Net based architectures to downscale daily ERA5 fields (0.25°) to IMERG V07 satellite precipitation (0.1°) over West Africa for the June to October seasons of 2000 to 2024, using geopotential, temperature, humidity and wind at three pressure levels together with elevation and land fraction. Adding ERA5 precipitation as input slightly improves performance for this particular challenging region. We find that all the deterministic networks investigated for this work are too dry and lose almost all observed variance below a few hundred kilometers, which motivated our use of a GAN-based alternative. We also investigated permutation importance for the U-Net that ranks 500 hPa specific humidity first, consistent with the sensitivity of deep convection to mid-tropospheric moisture.

Agriculture is increasingly challenged by climate change, soil degradation, and resource depletion, and hence requires advanced data-driven crop classification and recommendation solutions. This work presents an explainable ensemble learning paradigm that fuses optimized feature pyramids, deep networks, self-attention mechanisms, and residual networks for bolstering crop suitability predictions based on soil characteristics (e.g., pH, nitrogen, potassium) and climatic conditions (e.g., temperature, rainfall). With a dataset comprising 3,867 instances and 29 features from the Ethiopian Agricultural Transformation Agency and NASA, the paradigm leverages preprocessing methods such as label encoding, outlier removal using IQR, normalization through StandardScaler, and SMOTE for balancing classes. A range of machine learning models such as Logistic Regression, K-Nearest Neighbors, Support Vector Machines, Decision Trees, Random Forest, Gradient Boosting, and a new Relative Error Support Vector Machine are compared, with hyperparameter tuning through Grid Search and cross-validation. The suggested "Final Ensemble" meta-ensemble design outperforms with 98.80% accuracy, precision, recall, and F1-score, compared to individual models such as K-Nearest Neighbors (95.56% accuracy). Explainable AI methods, such as SHAP and permutation importance, offer actionable insights, highlighting critical features such as soil pH, nitrogen, and zinc. The paradigm addresses the gap between intricate ML models and actionable agricultural decision-making, fostering sustainability and trust in AI-powered recommendations

An additive manufacturing (AM) process, like laser powder bed fusion, allows for the fabrication of objects by spreading and melting powder in layers until a freeform part shape is created. In order to improve the properties of the material involved in the AM process, it is important to predict the material characterization property as a function of the processing conditions. In thermoelectric materials, the power factor is a measure of how efficiently the material can convert heat to electricity. While earlier works have predicted the material characterization properties of different thermoelectric materials using various techniques, implementation of machine learning models to predict the power factor of bismuth telluride (Bi2Te3) during the AM process has not been explored. This is important as Bi2Te3 is a standard material for low temperature applications. Thus, we used data about manufacturing processing parameters involved and in-situ sensor monitoring data collected during AM of Bi2Te3, to train different machine learning models in order to predict its thermoelectric power factor. We implemented supervised machine learning techniques using 80% training and 20% test data and further used the permutation feature importance method to identify important processing parameters and in-situ sensor features which were best at predicting power factor of the material. Ensemble-based methods like random forest, AdaBoost classifier, and bagging classifier performed the best in predicting power factor with the highest accuracy of 90% achieved by the bagging classifier model. Additionally, we found the top 15 processing parameters and in-situ sensor features to characterize the material manufacturing property like power factor. These features could further be optimized to maximize power factor of the thermoelectric material and improve the quality of the products built using this material.

Purpose: Hard-to-interpret Black-box Machine Learning (ML) were often used for early Alzheimer's Disease (AD) detection. Methods: To interpret eXtreme Gradient Boosting (XGBoost), Random Forest (RF), and Support Vector Machine (SVM) black-box models a workflow based on Shapley values was developed. All models were trained on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and evaluated for an independent ADNI test set, as well as the external Australian Imaging and Lifestyle flagship study of Ageing (AIBL), and Open Access Series of Imaging Studies (OASIS) datasets. Shapley values were compared to intuitively interpretable Decision Trees (DTs), and Logistic Regression (LR), as well as natural and permutation feature importances. To avoid the reduction of the explanation validity caused by correlated features, forward selection and aspect consolidation were implemented. Results: Some black-box models outperformed DTs and LR. The forward-selected features correspond to brain areas previously associated with AD. Shapley values identified biologically plausible associations with moderate to strong correlations with feature importances. The most important RF features to predict AD conversion were the volume of the amygdalae, and a cognitive test score. Good cognitive test performances and large brain volumes decreased the AD risk. The models trained using cognitive test scores significantly outperformed brain volumetric models (p<0.05). Cognitive Normal (CN) vs. AD models were successfully transferred to external datasets. Conclusion: In comparison to previous work, improved performances for ADNI and AIBL were achieved for CN vs. Mild Cognitive Impairment (MCI) classification using brain volumes. The Shapley values and the feature importances showed moderate to strong correlations.

Mycotoxin contamination poses a significant risk to cereal crop quality, food safety, and agricultural productivity. Accurate prediction of mycotoxin levels can support early intervention strategies and reduce economic losses. This study investigates the use of neural networks and transfer learning models to predict mycotoxin contamination in Irish oat crops as a multi-response prediction task. Our dataset comprises oat samples collected in Ireland, containing a mix of environmental, agronomic, and geographical predictors. Five modelling approaches were evaluated: a baseline multilayer perceptron (MLP), an MLP with pre-training, and three transfer learning models; TabPFN, TabNet, and FT-Transformer. Model performance was evaluated using regression (RMSE, R^2) and classification (AUC, F1) metrics, with results reported per toxin and on average. Additionally, permutation-based variable importance analysis was conducted to identify the most influential predictors across both prediction tasks. The transfer learning approach TabPFN provided the overall best performance, followed by the baseline MLP. Our variable importance analysis revealed that weather history patterns in the 90-day pre-harvest period were the most important predictors, alongside seed moisture content.

Attention scales quadratically with sequence length, fundamentally limiting long-context inference. Existing block-granularity sparsification can reduce latency, but coarse blocks impose an intrinsic sparsity ceiling, making further improvements difficult even with carefully engineered designs. We present S2O, which performs early stopping for sparse attention via online permutation. Inspired by virtual-to-physical address mapping in memory systems, S2O revisits and factorizes FlashAttention execution, enabling inference to load non-contiguous tokens rather than a contiguous span in the original order. Motivated by fine-grained structures in attention heatmaps, we transform explicit permutation into an online, index-guided, discrete loading policy; with extremely lightweight preprocessing and index-remapping overhead, it concentrates importance on a small set of high-priority blocks. Building on this importance-guided online permutation for loading, S2O further introduces an early-stopping rule: computation proceeds from high to low importance; once the current block score falls below a threshold, S2O terminates early and skips the remaining low-contribution blocks, thereby increasing effective sparsity and reducing computation under a controlled error budget. As a result, S2O substantially raises the practical sparsity ceiling. On Llama-3.1-8B under a 128K context, S2O reduces single-operator MSE by 3.82times at matched sparsity, and reduces prefill compute density by 3.31times at matched MSE; meanwhile, it preserves end-to-end accuracy and achieves 7.51times attention and 3.81times end-to-end speedups.

Modern industrial recommender systems rely on thousands of heterogeneous features -- ranging from low-dimensional scalars (e.g., statistical value) to high-dimensional embeddings (e.g., user-id embeddings, MLP representations) -- to achieve high-precision predictions. Given the immense computational costs associated with training, efficient feature selection is critical. However, existing methods encounter three primary bottlenecks: (1) they typically assume uniform feature dimensions or require costly mapping to a fixed size; (2) they struggle with extreme sparsity, where the majority of features (e.g., 99%+) remain at default values; and (3) traditional permutation-based approaches are computationally prohibitive in large-scale settings. To address these challenges, we propose LeAP (Learnable Adaptive Permutation), a novel, model-agnostic plug-in module for feature selection. LeAP transforms the inefficient random permutation process into a learnable mechanism, significantly accelerating the evaluation of feature importance. In addition, we introduce an adaptive regularization strategy tailored for heterogeneous dimensions and extreme sparsity, enabling superior feature importance ranking results across asymmetric input spaces. Experiments on four public recommendation datasets demonstrate that LeAP achieves state-of-the-art performance. Furthermore, LeAP has been deployed in a large-scale industrial search ranking model with over a billion daily requests and a 2TB model parameter scale. In this real-world scenario involving 12,000+ total feature dimensions, LeAP successfully identified and removed over 3,600 redundant dimensions without performance degradation, which is 2 to 10 times the ability of compared baseline methods.

Background. LLM outputs are highly sensitive to prompt formulation: small wording changes can substantially affect output quality. This matters in software engineering, where prompts guide requirements analysis, code generation, and artefact synthesis. Poor formulations yield unreliable artefacts, yet practitioners lack principled ways to assess a prompt before inference, making selection depend on costly LLM calls and trial-and-error refinement. Aims. We investigate whether measurable linguistic properties of prompts can predict LLM performance before inference, enabling low-cost prompt selection and refinement, validated on binary requirements classification targeting F1, F2, precision, and recall. Method. We generate 9,000 linguistically controlled prompt variants from 100 initial prompts by varying 30 linguistic metrics, evaluated with five open-source LLMs on 625 annotated requirements. Regression predictors are trained via stratified 10-fold cross-validation with permutation-based significance testing; feature importance analysis identifies cross-LLM and model-specific predictors. Results. Linguistic features significantly predict prompt performance across all targets (R2 in [0.38,0.42], q<0.05). Syntactic and morphosyntactic features drive most predictive signal; cross-LLM predictors include compound dependency distribution, conjunction density, and word/sentence length, reflecting sensitivity to domain vocabulary and complex structures. Conclusions. Results suggest practical implications for prompt engineering, including overlap between linguistic patterns that reduce LLM performance and those that increase human comprehension difficulty, and the irrelevance of lexical variety as a quality dimension. More broadly, linguistic profiling combined with standard regression provides an effective, interpretable, low-cost prior before costly optimisation pipelines.

Retrieval-augmented generation (RAG) integrates large language models ( LLM s) with retrievers to access external knowledge, improving the factuality of LLM generation in knowledge-grounded tasks. To optimize the RAG performance, most previous work independently fine-tunes the retriever to adapt to frozen LLM s or trains the LLMs to use documents retrieved by off-the-shelf retrievers, lacking end-to-end training supervision. Recent work addresses this limitation by jointly training these two components but relies on overly simplifying assumptions of document independence, which has been criticized for being far from real-world scenarios. Thus, effectively optimizing the overall RAG performance remains a critical challenge. We propose a direct retrieval-augmented optimization framework, named DRO, that enables end-to-end training of two key components: (i) a generative knowledge selection model and (ii) an LLM generator. DRO alternates between two phases: (i) document permutation estimation and (ii) re-weighted maximization, progressively improving RAG components through a variational approach. In the estimation step, we treat document permutation as a latent variable and directly estimate its distribution from the selection model by applying an importance sampling strategy. In the maximization step, we calibrate the optimization expectation using importance weights and jointly train the selection model and LLM generator. Our theoretical analysis reveals that DRO is analogous to policy-gradient methods in reinforcement learning. Extensive experiments conducted on five datasets illustrate that DRO outperforms the best baseline with 5%-15% improvements in EM and F1. We also provide in-depth experiments to qualitatively analyze the stability, convergence, and variance of DRO.

Recently, large language and vision models (LLVMs) have received significant attention and development efforts due to their remarkable generalization performance across a wide range of tasks requiring perception and cognitive abilities. A key factor behind their success is their simple architecture, which consists of a vision encoder, a projector, and a large language model (LLM). Despite their achievements in advanced reasoning tasks, their performance on fundamental perception-related tasks (e.g., MMVP) remains surprisingly low. This discrepancy raises the question of how LLVMs truly perceive images and exploit the advantages of the vision encoder. To address this, we systematically investigate this question regarding several aspects: permutation invariance, robustness, math reasoning, alignment preserving and importance, by evaluating the most common LLVM's families (i.e., LLaVA) across 10 evaluation benchmarks. Our extensive experiments reveal several intriguing properties of current LLVMs: (1) they internally process the image in a global manner, even when the order of visual patch sequences is randomly permuted; (2) they are sometimes able to solve math problems without fully perceiving detailed numerical information; (3) the cross-modal alignment is overfitted to complex reasoning tasks, thereby, causing them to lose some of the original perceptual capabilities of their vision encoder; (4) the representation space in the lower layers (<25%) plays a crucial role in determining performance and enhancing visual understanding. Lastly, based on the above observations, we suggest potential future directions for building better LLVMs and constructing more challenging evaluation benchmarks.

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.

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.

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 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.

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.

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.

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 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 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).

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.

When primed with only a handful of training samples, very large, pretrained language models such as GPT-3 have shown competitive results when compared to fully-supervised, fine-tuned, large, pretrained language models. We demonstrate that the order in which the samples are provided can make the difference between near state-of-the-art and random guess performance: essentially some permutations are "fantastic" and some not. We analyse this phenomenon in detail, establishing that: it is present across model sizes (even for the largest current models), it is not related to a specific subset of samples, and that a given good permutation for one model is not transferable to another. While one could use a development set to determine which permutations are performant, this would deviate from the true few-shot setting as it requires additional annotated data. Instead, we use the generative nature of language models to construct an artificial development set and based on entropy statistics of the candidate permutations on this set, we identify performant prompts. Our method yields a 13% relative improvement for GPT-family models across eleven different established text classification tasks.

System one models enable direct, low-latency decision-making. Yet recent practice of predicting an answer from serialized text does not, by itself, respect the structure of a decision problem. We argue that current designs underemphasize four important structural requirements. (i) null-aware: Models should distinguish answer absence from uncertainty among candidates; (ii) permutation-invariant: Reordering alternatives should not change the decision; (iii) option-scalable: Growing candidate sets should not require redefining the output space; (iv) cacheable: Request-independent computation over recurring alternatives should be reusable across requests. We introduce Jeva, a decision-native architecture that addresses these requirements jointly. A shared encoder independently represents the request and each option, while a compact decision stack refines only the request state against immutable option memory. Symmetric aggregation yields permutation-equivariant probabilities; shared scoring accommodates variable-size candidate sets. A separate coverage estimate distinguishes answer absence from candidate competition, enabling explicit null outcomes. Request-independent option representations and layer projections support reuse across newly assembled sets. These mechanisms unify Choice, Noul, and Score outputs. Across evaluations, Jeva combines strong typed-decision performance with near-perfect null detection and no decision flips under any tested permutations. It scales to thousands of candidates and substantially reduces latency through cross-request reuse without changing decisions.

Large language models fine-tuned on human behavioural data have emerged as general-purpose cognitive proxies, but the scale this requires, and whether these models process task structure or exploit statistical shortcuts, remain open questions. We train fourteen models from 135M to 14B parameters across four architecture families on Psych-101, a dataset of 10.7 million trial-level choices from 160 experiments. For in-distribution simulations, scale barely matters. The models fall within a narrow band, as though against a ceiling, and 0.6B to 1B parameters suffice to match a 70B baseline on held-out participants. Out-of-distribution, that band opens into a markedly steeper scaling gradient, with larger models clearly advantaged in generalisation to novel task structure. To determine what information these models use, we run two diagnostics. We progressively strip four prompt channels -- task instructions, experimental stimuli, outcome feedback, and choice history -- across 27 experiments, and permute trial order. Masking the content of stimuli and feedback destroys 75.7% of learned information and pushes models below chance, demonstrating that choice history alone does not account for performance. Permutation reveals invariance on tasks with independent trials but sensitivity where trial order is determined by prior responses. Small cognitively fine-tuned models therefore show promise as noise ceiling estimators for psychological experiments, though their scope remains bounded by the paradigms seen in training.

We characterise and enumerate permutations that are sortable by n-4 passes through a stack. We conjecture the number of permutations sortable by n-5 passes, and also the form of a formula for the general case n-k, which involves a polynomial expression.

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.

In passage reranking, response ranking and multi-document question answering, LLMs can score several candidate documents or responses together in one prompt, each still receiving its own score. Such scorers are selected on ranking quality, but their scores determine a decision: what a score threshold retains, a reader answers, or which chosen/rejected pair enters preference training. Because the candidates share that prompt, reordering them changes their scores. The same query over the same candidates should still yield the same decision. However, equal ranking quality does not imply equal decisions: on passage reranking, five trained scorers within 0.010 nDCG@10 retain sets that overlap by only 0.66-0.84 when reordered. No prompt-time change we test resolves that dependence: the only one that improves ranking quality does not measurably improve decision stability. We introduce order-consistency SFT (OC-SFT), which attenuates it in the weights by penalizing disagreement between a candidate's scores across orderings. It holds ranking quality and leads every decision-stability measure among trained scorers on all three tasks. It is also more stable on 12 base models than order-averaged distillation, which trains on labels averaged across permutations. One OC-SFT permutation retains sets that overlap more than ten averaged off-the-shelf permutations. A comparison of such scorers should therefore report what a threshold retains and a reader answers, not ranking quality alone. Code is available at https://github.com/thomsonreuters/presentation-dependence.

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.

Expert pruning reduces the memory and serving cost of Mixture-of-Experts (MoE) models by removing low-importance experts identified by the router, assuming router probabilities provide a reliable importance signal. We observe that this assumption breaks down under over-dispersed routing, a regime associated with aggressive load-balancing during training, in which tokens are distributed nearly uniformly across experts and importance signals collapse. In this regime, perplexity does not predict downstream task accuracy: on gpt-oss-20B, the lowest-perplexity pruning configuration yields the worst mathematical reasoning, while the highest-perplexity configuration preserves it. This does not occur under standard routing (e.g., Mixtral-8x7B-Instruct), where perplexity and accuracy degrade together. Pruning under over-dispersed routing also exposes a capability trade-off in which no single scoring metric dominates: activation-aware scoring preserves mathematical reasoning but severely degrades knowledge-intensive science (an 18-point gap on GPQA), whereas frequency-based scoring exhibits the reverse. We propose Minimax Expert Score Allocation (MESA), a domain-aware method that iteratively boosts importance scores for experts serving whichever domain is currently worst-affected, minimizing worst-case domain degradation rather than average accuracy. At 25% expert pruning MESA achieves the smallest worst-case degradation across domains, outperforming activation-aware baselines on 7 of 11 benchmarks at a correspondingly reduced memory footprint, and it generalizes to gpt-oss-120B, Gemma-4-26B-A4B, and OLMoE-1B-7B. Our results indicate that over-dispersed routing is a qualitatively distinct pruning regime in which standard assumptions fail, and that recognizing it is a prerequisite for principled expert pruning of load-balanced MoE models.

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.

Revolutionizing the field of deep learning, Transformer-based models have achieved remarkable performance in many tasks. Recent research has recognized these models are robust to shuffling but are limited to inter-token permutation in the forward propagation. In this work, we propose our definition of permutation equivariance, a broader concept covering both inter- and intra- token permutation in the forward and backward propagation of neural networks. We rigorously proved that such permutation equivariance property can be satisfied on most vanilla Transformer-based models with almost no adaptation. We examine the property over a range of state-of-the-art models including ViT, Bert, GPT, and others, with experimental validations. Further, as a proof-of-concept, we explore how real-world applications including privacy-enhancing split learning, and model authorization, could exploit the permutation equivariance property, which implicates wider, intriguing application scenarios.

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).

In complex systems, we often observe complex global behavior emerge from a collection of agents interacting with each other in their environment, with each individual agent acting only on locally available information, without knowing the full picture. Such systems have inspired development of artificial intelligence algorithms in areas such as swarm optimization and cellular automata. Motivated by the emergence of collective behavior from complex cellular systems, we build systems that feed each sensory input from the environment into distinct, but identical neural networks, each with no fixed relationship with one another. We show that these sensory networks can be trained to integrate information received locally, and through communication via an attention mechanism, can collectively produce a globally coherent policy. Moreover, the system can still perform its task even if the ordering of its inputs is randomly permuted several times during an episode. These permutation invariant systems also display useful robustness and generalization properties that are broadly applicable. Interactive demo and videos of our results: https://attentionneuron.github.io/

Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Position bias in multiple-choice LLM evaluation is widely cited as a confound in capability comparisons, but published measurements rely on single answer-order shuffles whose results confound the bias signal with content-level noise and sampling stochasticity. I introduce inspect_permute, an open-source extension to the inspect_ai evaluation framework that runs exhaustive answer-order permutations per question and reports the chi-squared / Cramer V signature of position bias with bootstrap confidence intervals. I apply the tool across four vendors (gpt-4o-mini, claude-haiku-4-5, gemini-2.5-flash, grok-3) on five MMLU subjects, 24,000 API calls under temperature-0 generation, with falsifier predictions pre-registered via a public SHA-256 hash before half the data was observed. Position bias turns out to be statistically detectable only within a roughly 60-95% base-accuracy Goldilocks zone. Below it, processing-load dominance swamps subject-specific signal; above it, ceiling effects compress the variance below the chi-squared test resolution. Detectable cells separate into two mechanism types: monotone A-to-D decrease (processing_load, in low-tier models) and non-monotone D-drop (content_ambiguity, in a narrow capability band). Standard MMLU places every frontier-tier model above the detection band, so absence of signal there should be read as not measurable, not unbiased. Together with the ceiling-effect characterisation in arXiv:2606.26185, this work brackets the detectable region of position-bias measurement and makes the field central question askable in a verifiable form. Package, data, preregistration under MIT.

Neural network parameterizations exhibit inherent symmetries that yield multiple equivalent minima within the loss landscape. Scale Graph Metanetworks (ScaleGMNs) explicitly leverage these symmetries by proposing an architecture equivariant to both permutation and parameter scaling transformations. Previous work by Ainsworth et al. (2023) addressed permutation symmetries through a computationally intensive combinatorial assignment problem, demonstrating that leveraging permutation symmetries alone can map networks into a shared loss basin. In this work, we extend their approach by also incorporating scaling symmetries, presenting an autoencoder framework utilizing ScaleGMNs as invariant encoders. Experimental results demonstrate that our method aligns Implicit Neural Representations (INRs) and Convolutional Neural Networks (CNNs) under both permutation and scaling symmetries without explicitly solving the assignment problem. This approach ensures that similar networks naturally converge within the same basin, facilitating model merging, i.e., smooth linear interpolation while avoiding regions of high loss. The code is publicly available on our GitHub repository.

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.

We investigate imbalanced regression with tabular data that have an imbalance ratio larger than 1,000 ("highly imbalanced"). Accurately estimating the target values of rare instances is important in applications such as forecasting the intensity of rare harmful Solar Energetic Particle (SEP) events. For regression, the MSE loss does not consider the correlation between predicted and actual values. Typical inverse importance functions allow only convex functions. Uniform sampling might yield mini-batches that do not have rare instances. We propose CISIR that incorporates correlation, Monotonically Decreasing Involution (MDI) importance, and stratified sampling. Based on five datasets, our experimental results indicate that CISIR can achieve lower error and higher correlation than some recent methods. Also, adding our correlation component to other recent methods can improve their performance. Lastly, MDI importance can outperform other importance functions. Our code can be found in https://github.com/Machine-Earning/CISIR.

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.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

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.

As the probability (and thus perplexity) of a text is calculated based on the product of the probabilities of individual tokens, it may happen that one unlikely token significantly reduces the probability (i.e., increase the perplexity) of some otherwise highly probable input, while potentially representing a simple typographical error. Also, given that perplexity is a scalar value that refers to the entire input, information about the probability distribution within it is lost in the calculation (a relatively good text that has one unlikely token and another text in which each token is equally likely they can have the same perplexity value), especially for longer texts. As an alternative to scalar perplexity this research proposes a simple algorithm used to calculate vector values based on n-gram perplexities within the input. Such representations consider the previously mentioned aspects, and instead of a unique value, the relative perplexity of each text token is calculated, and these values are combined into a single vector representing the input.

We propose the Bayes-UCBVI algorithm for reinforcement learning in tabular, stage-dependent, episodic Markov decision process: a natural extension of the Bayes-UCB algorithm by Kaufmann et al. (2012) for multi-armed bandits. Our method uses the quantile of a Q-value function posterior as upper confidence bound on the optimal Q-value function. For Bayes-UCBVI, we prove a regret bound of order O(H^3SAT) where H is the length of one episode, S is the number of states, A the number of actions, T the number of episodes, that matches the lower-bound of Ω(H^3SAT) up to poly-log terms in H,S,A,T for a large enough T. To the best of our knowledge, this is the first algorithm that obtains an optimal dependence on the horizon H (and S) without the need for an involved Bernstein-like bonus or noise. Crucial to our analysis is a new fine-grained anti-concentration bound for a weighted Dirichlet sum that can be of independent interest. We then explain how Bayes-UCBVI can be easily extended beyond the tabular setting, exhibiting a strong link between our algorithm and Bayesian bootstrap (Rubin, 1981).

Adversarial optimization under a shared ell_1 budget requires deciding not only how much perturbation to use, but also where that limited budget should be spent. This allocation problem becomes particularly important when individual input coordinates are subject to local magnitude constraints, which restrict the extent to which perturbation can be concentrated on a small number of locations. We introduce an importance-guided allocation mechanism that uses a fixed clean-gradient prior to steer perturbation toward model-sensitive regions while leaving the feasible perturbation set unchanged. A centered allocation objective encourages perturbation at above-average importance locations and discourages unnecessary expenditure elsewhere, thereby redistributing rather than enlarging the available budget. Across ten robust model--dataset configurations under a common capacity-limited threat setting, the proposed method improves attack success over matched APGD- and PMA-based baselines by 2.52 to 17.70 percentage points. Allocation analysis shows that these gains are accompanied by substantially greater perturbation mass in high-importance regions without increased global ell_1 consumption. Mechanism ablations further show that centered non-uniform redistribution provides part of the benefit, while model-derived importance yields an additional improvement. These results identify perturbation allocation as a distinct and practically relevant dimension of adversarial optimization under shared-budget, locally constrained threat models.

Semantic communications (SemCom) is a promising task-oriented paradigm in which semantic features exhibit non-uniform importance. Consequently, unequal error protection (UEP), which allocates resources based on semantic importance, plays a pivotal role in maximizing system utility. However, most existing schemes adopt passive importance evaluation, which neither proactively reshapes the importance distribution nor explores its impact on UEP performance. In this paper, we propose a novel importance-ordered semantic feature restructuring (ISFR) scheme that proactively enforces a descending importance hierarchy and jointly optimizes multi-dimensional resources to improve system utility. Specifically, modules with decreasing retention probabilities and increasing distortion levels are employed, which drive the model to concentrate key semantics into front-end features and thus strengthen importance differentiation. Moreover, a joint optimization problem that jointly optimizes channel matching, feature selection, modulation schemes, and power allocation is formulated to minimize the importance-weighted total semantic distortion. To solve this non-convex problem, a hierarchical decoupling strategy is proposed, which decomposes it into four tractable subproblems. This approach leverages the ordered prior to drastically prune the search space for feature selection and modulation, while integrating greedy-based channel matching and convex power allocation. Simulation results demonstrate that the proposed ISFR scheme outperforms traditional uniform importance-based schemes under harsh channel conditions and limited resources, validating the significant robustness improvement enabled by the concentration of key semantic information.

In his celebrated book "Mathematical Treatise in Nine Sections" of 1247, Qin, Jiushao described the Chinese remainder theorem with great detail and generality. He also gave a method for computing modular inverse under the name of "DaYan deriving one". Historical significance of DaYan deriving one method has been well studied. In this paper, we investigate its modern mathematical nature from the perspectives of number theory and algorithm. One of the remarkable features of Qin's algorithm is that it keeps a state of four variables in a matrix form. Its choice of variables and layout provide natural ways of connecting several important mathematical concepts. An invariant about the state is also observed which provides a convenient yet powerful tool in proving several important mathematical results. The paper first explains Qin's algorithm and proves some of its properties. Then the connection with continued fractions is examined, the results show that the states of Qin's algorithm contain rich information about continued fractions and some classical arguments can be derived easily. The last part of the paper discusses a family of 2-dimensional lattices of number theoretic significance by proving that the shortest vectors of these lattices can be obtained from the states of Qin's algorithm. This result is surprising in that a shortest lattice vector is found in a well-regulated set. A method of computing such shortest vectors is proposed.ed.

Randomized controlled trials are susceptible to imbalance on covariates predictive of the outcome. Rerandomization and deterministic treatment assignment are two proposed solutions. This paper explores the relationship between rerandomization and deterministic assignment, showing how deterministic assignment is an extreme case of rerandomization. The paper argues that in small experiments, both fully randomized and fully deterministic assignment have limitations. Instead, the researcher should consider setting the rerandomization acceptance probability based on an analysis of covariates and assumptions about the data structure to achieve an optimal alignment between randomness and balance. This allows for the calculation of minimum p-values along with valid permutation tests and fiducial intervals. The paper also introduces tools, including a new, open-source R package named fastrerandomize, to implement rerandomization and explore options for optimal rerandomization acceptance thresholds.

Large language models (LLMs) are now widely used to evaluate the quality of text, a field commonly referred to as LLM-as-a-judge. While prior works mainly focus on point-wise and pair-wise evaluation paradigms. Rubric-based evaluation, where LLMs select a score from multiple rubrics, has received less analysis. In this work, we show that rubric-based evaluation implicitly resembles a multi-choice setting and therefore has position bias: LLMs prefer score options appearing at specific positions in the rubric list. Through controlled experiments across multiple models and datasets, we demonstrate consistent position bias. To mitigate this bias, we propose a balanced permutation strategy that evenly distributes each score option across positions. We show that aggregating scores across balanced permutations not only reveals latent position bias, but also improves correlation between the LLM-as-a-Judge and human. Our results suggest that rubric-based LLM-as-a-Judge is not inherently point-wise and that simple permutation-based calibration can substantially improve its reliability.

Population-based search has recently emerged as a possible alternative to Reinforcement Learning (RL) for black-box neural architecture search (NAS). It performs well in practice even though it is not theoretically well understood. In particular, whereas traditional population-based search methods such as evolutionary algorithms (EAs) draw much power from crossover operations, it is difficult to take advantage of them in NAS. The main obstacle is believed to be the permutation problem: The mapping between genotype and phenotype in traditional graph representations is many-to-one, leading to a disruptive effect of standard crossover. This paper presents the first theoretical analysis of the behaviors of mutation, crossover and RL in black-box NAS, and proposes a new crossover operator based on the shortest edit path (SEP) in graph space. The SEP crossover is shown theoretically to overcome the permutation problem, and as a result, have a better expected improvement compared to mutation, standard crossover and RL. Further, it empirically outperform these other methods on state-of-the-art NAS benchmarks. The SEP crossover therefore allows taking full advantage of population-based search in NAS, and the underlying theory can serve as a foundation for deeper understanding of black-box NAS methods in general.

A universal word (u-word) for d-dimensional permutations of length n is a 2-dimensional word with d-1 rows, any size n window of which is order-isomorphic to exactly one permutation of length n, and all permutations of length n are covered. It is known that u-words (in fact, even u-cycles, a stronger claim) for d-dimensional permutations exist. In this paper, we use the idea of incomparable elements to prove that u-words of length (n!)^{d-1}+n-1-i(n-1), for dgeq 2 and $0leq ileq 2^{d-1}{n-1}left[(1+(n-1)!)^{d-1}-left(1+(n-1)!{2}right)^{d-1}right], for d-dimensional permutations of length n exist, which generalizes the respective result of Kitaev, Potapov and Vajnovszki for ``usual'' permutations (d=2$).

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to address this problem by using random node features or node distance features. However, they suffer from either slow convergence, inaccurate prediction, or high complexity. In this work, we revisit GNNs that allow using positional features of nodes given by positional encoding (PE) techniques such as Laplacian Eigenmap, Deepwalk, etc. GNNs with PE often get criticized because they are not generalizable to unseen graphs (inductive) or stable. Here, we study these issues in a principled way and propose a provable solution, a class of GNN layers termed PEG with rigorous mathematical analysis. PEG uses separate channels to update the original node features and positional features. PEG imposes permutation equivariance w.r.t. the original node features and imposes O(p) (orthogonal group) equivariance w.r.t. the positional features simultaneously, where p is the dimension of used positional features. Extensive link prediction experiments over 8 real-world networks demonstrate the advantages of PEG in generalization and scalability.

High-dimensional tabular data lacks a natural feature order, limiting the applicability of permutation-sensitive deep learning models. We propose DynaTab, a dynamic feature ordering-enabled architecture inspired by neural rewiring. We introduce a lightweight criterion that predicts when feature permutation will benefit a dataset by quantifying its intrinsic complexity. DynaTab dynamically reorders features via a neural rewiring algorithm and processes them through a compact, dynamic order-aware combination of separate learned positional embedding, importance-based gating, and masked attention layers, compatible with any sequence-sensitive backbone. Trained end-to-end with bespoke dynamic feature ordering (DFO) and dispersion losses, DynaTab achieves statistically significant gains, particularly on high-dimensional datasets, where it is benchmarked against 45 state-of-the-art baselines across 36 different real-world tabular datasets. Our results position DynaTab as a compelling new paradigm for high-dimensional tabular deep learning.

Recent works show that ordering of the training data affects the model performance for Neural Machine Translation. Several approaches involving dynamic data ordering and data sharding based on curriculum learning have been analysed for the their performance gains and faster convergence. In this work we propose to empirically study several ordering approaches for the training data based on different metrics and evaluate their impact on the model performance. Results from our study show that pre-fixing the ordering of the training data based on perplexity scores from a pre-trained model performs the best and outperforms the default approach of randomly shuffling the training data every epoch.

Retrieval-Augmented Generation (RAG) has become a key paradigm for reducing factual hallucinations in large language models (LLMs), yet little is known about how the order of retrieved documents affects model behavior. We empirically show that under Top-5 retrieval with the gold document included, LLM answers vary substantially across permutations of the retrieved set, even when the gold document is fixed in the first position. This reveals a previously underexplored sensitivity to retrieval permutations. Although robust RAG methods primarily focus on enhancing LLM robustness to low-quality retrieval and mitigating positional bias to distribute attention fairly over long contexts, neither approach directly addresses permutation sensitivity. In this paper, we propose Stable-RAG, which exploits permutation sensitivity estimation to mitigate permutation-induced hallucinations. Stable-RAG runs the generator under multiple retrieval orders, clusters hidden states, and decodes from a cluster-center representation that captures the dominant reasoning pattern. It then uses these reasoning results to align hallucinated outputs toward the correct answer, encouraging the model to produce consistent and accurate predictions across document permutations. Experiments on three QA datasets show that Stable-RAG significantly improves answer accuracy, reasoning consistency and robust generalization across datasets, retrievers, and input lengths compared with baselines.

Multiple-choice benchmarks are widely used to evaluate large language models, but MCQ scores conflate knowledge with sensitivity to option order, which makes them unreliable measures of model knowledge. In this paper, we test whether preventing a model from seeing option labels while committing to an answer removes positional influence and, in turn, improves performance. We evaluate two different strategies for mitigating bias. The first uses a generation-then-matching approach, and the second scores options in isolation, which is positionally unbiased by construction. Neither reliably improves accuracy. A complete decomposition shows that the bottleneck is withholding options, not the matching step. The only configuration that consistently matches the baseline is the one that shows the model all options paired with an LLM matcher. However, eliminating positional influence entirely still does not reliably yield accuracy gains, while cyclic permutation often improves them. For two-stage prompting, an aggregate measure of recall imbalance and a direct per-question measure of order sensitivity both fail to show reliable debiasing.

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.

This book is about conformal prediction and related inferential techniques that build on permutation tests and exchangeability. These techniques are useful in a diverse array of tasks, including hypothesis testing and providing uncertainty quantification guarantees for machine learning systems. Much of the current interest in conformal prediction is due to its ability to integrate into complex machine learning workflows, solving the problem of forming prediction sets without any assumptions on the form of the data generating distribution. Since contemporary machine learning algorithms have generally proven difficult to analyze directly, conformal prediction's main appeal is its ability to provide formal, finite-sample guarantees when paired with such methods. The goal of this book is to teach the reader about the fundamental technical arguments that arise when researching conformal prediction and related questions in distribution-free inference. Many of these proof strategies, especially the more recent ones, are scattered among research papers, making it difficult for researchers to understand where to look, which results are important, and how exactly the proofs work. We hope to bridge this gap by curating what we believe to be some of the most important results in the literature and presenting their proofs in a unified language, with illustrations, and with an eye towards pedagogy.

Tensor network (TN) is a powerful framework in machine learning, but selecting a good TN model, known as TN structure search (TN-SS), is a challenging and computationally intensive task. The recent approach TNLS~li2022permutation showed promising results for this task, however, its computational efficiency is still unaffordable, requiring too many evaluations of the objective function. We propose TnALE, a new algorithm that updates each structure-related variable alternately by local enumeration, greatly reducing the number of evaluations compared to TNLS. We theoretically investigate the descent steps for TNLS and TnALE, proving that both algorithms can achieve linear convergence up to a constant if a sufficient reduction of the objective is reached in each neighborhood. We also compare the evaluation efficiency of TNLS and TnALE, revealing that Omega(2^N) evaluations are typically required in TNLS for reaching the objective reduction in the neighborhood, while ideally O(N^2R) evaluations are sufficient in TnALE, where N denotes the tensor order and R reflects the ``low-rankness'' of the neighborhood. Experimental results verify that TnALE can find practically good TN-ranks and permutations with vastly fewer evaluations than the state-of-the-art algorithms.

Decision models often score a variable-sized set of candidate actions encoded in a single sequence. This setting is increasingly relevant for System 1 components inside generative systems, where candidates may be proposed or ordered differently across runs. Standard causal cross-encoding is expressive, but it can make a candidate's score depend on serialization order rather than on the underlying decision problem. We introduce candidate-independent block-causal attention, which preserves causal computation within the shared context and each candidate while blocking cross-candidate information flow and resetting candidate positions. We compare this architecture with standard causal attention and complementary invariant baselines across Gemma 3 1B, Qwen3 1.7B, and Qwen3 4B backbones. Candidate-independent attention consistently reduces permutation sensitivity while retaining competitive decision quality; ablations indicate that candidate isolation is the primary source of the effect, with position resetting completing the intended symmetry. A larger Qwen3-4B study further examines the behavior of the proposed architecture with substantially more training data. Code is available at the https://github.com/guyAmit/ci-decision-models{blue{project repository}}, and the https://huggingface.co/Guy-Amit/qwen3-4b-ci-decision-4096-poc{blue{Qwen3-4B model artifact}} is available on Hugging Face.

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.

In large language model (LLM) unlearning, private information is required to be removed. Task arithmetic unlearns by subtracting a specific task vector (TV)--defined as the parameter difference between a privacy-information-tuned model and the original model. While efficient, it can cause over-forgetting by disrupting parameters essential for retaining other information. Motivated by the observation that each parameter exhibits different importance for forgetting versus retention, we propose a per-parameter task arithmetic (PerTA) mechanism to rescale the TV, allowing per-parameter adjustment. These weights quantify the relative importance of each parameter for forgetting versus retention, estimated via gradients (i.e., PerTA-grad) or the diagonal Fisher information approximation (i.e., PerTA-fisher). Moreover, we discuss the effectiveness of PerTA, extend it to a more general form, and provide further analysis. Extensive experiments demonstrate that PerTA consistently improves upon standard TV, and in many cases surpasses widely used training-based unlearning methods in both forgetting effectiveness and overall model utility. By retaining the efficiency of task arithmetic while mitigating over-forgetting, PerTA offers a principled and practical framework for LLM unlearning.

Pairwise Ranking Prompting (PRP) elicits pairwise preference judgments from an LLM, which are then aggregated into a ranking, usually via classical sorting algorithms. However, judgments are noisy, order-sensitive, and sometimes intransitive, so sorting assumptions do not match the setting. Because sorting aims to recover a full permutation, truncating it to meet a call budget does not produce a dependable top-K. We thus reframe PRP reranking as active learning from noisy pairwise comparisons and show that active rankers are drop-in replacements that improve NDCG@10 per call in the call-constrained regime. Our noise-robust framework also introduces a randomized-direction oracle that uses a single LLM call per pair. This approach converts systematic position bias into zero-mean noise, enabling unbiased aggregate ranking without the cost of bidirectional calls.

Large Reasoning Models (LRMs) achieve superior performance by extending the thought length. However, a lengthy thinking trajectory leads to reduced efficiency. Most of the existing methods are stuck in the assumption of overthinking and attempt to reason efficiently by compressing the Chain-of-Thought, but this often leads to performance degradation. To address this problem, we introduce A*-Thought, an efficient tree search-based unified framework designed to identify and isolate the most essential thoughts from the extensive reasoning chains produced by these models. It formulates the reasoning process of LRMs as a search tree, where each node represents a reasoning span in the giant reasoning space. By combining the A* search algorithm with a cost function specific to the reasoning path, it can efficiently compress the chain of thought and determine a reasoning path with high information density and low cost. In addition, we also propose a bidirectional importance estimation mechanism, which further refines this search process and enhances its efficiency beyond uniform sampling. Extensive experiments on several advanced math tasks show that A*-Thought effectively balances performance and efficiency over a huge search space. Specifically, A*-Thought can improve the performance of QwQ-32B by 2.39times with low-budget and reduce the length of the output token by nearly 50% with high-budget. The proposed method is also compatible with several other LRMs, demonstrating its generalization capability. The code can be accessed at: https://github.com/AI9Stars/AStar-Thought.

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.

Finite symmetric groups S_n are essential in fields such as combinatorics, physics, and chemistry. However, learning a probability distribution over S_n poses significant challenges due to its intractable size and discrete nature. In this paper, we introduce SymmetricDiffusers, a novel discrete diffusion model that simplifies the task of learning a complicated distribution over S_n by decomposing it into learning simpler transitions of the reverse diffusion using deep neural networks. We identify the riffle shuffle as an effective forward transition and provide empirical guidelines for selecting the diffusion length based on the theory of random walks on finite groups. Additionally, we propose a generalized Plackett-Luce (PL) distribution for the reverse transition, which is provably more expressive than the PL distribution. We further introduce a theoretically grounded "denoising schedule" to improve sampling and learning efficiency. Extensive experiments show that our model achieves state-of-the-art or comparable performances on solving tasks including sorting 4-digit MNIST images, jigsaw puzzles, and traveling salesman problems. Our code is released at https://github.com/DSL-Lab/SymmetricDiffusers.

Large Language Models (LLMs) are now state-of-the-art at summarization, yet the internal notion of importance that drives their information selections remains hidden. We propose to investigate this by combining behavioral and computational analyses. Behaviorally, we generate a series of length-controlled summaries for each document and derive empirical importance distributions based on how often each information unit is selected. These reveal that LLMs converge on consistent importance patterns, sharply different from pre-LLM baselines, and that LLMs cluster more by family than by size. Computationally, we identify that certain attention heads align well with empirical importance distributions, and that middle-to-late layers are strongly predictive of importance. Together, these results provide initial insights into what LLMs prioritize in summarization and how this priority is internally represented, opening a path toward interpreting and ultimately controlling information selection in these models.

Sorting is a fundamental operation of all computer systems, having been a long-standing significant research topic. Beyond the problem formulation of traditional sorting algorithms, we consider sorting problems for more abstract yet expressive inputs, e.g., multi-digit images and image fragments, through a neural sorting network. To learn a mapping from a high-dimensional input to an ordinal variable, the differentiability of sorting networks needs to be guaranteed. In this paper we define a softening error by a differentiable swap function, and develop an error-free swap function that holds a non-decreasing condition and differentiability. Furthermore, a permutation-equivariant Transformer network with multi-head attention is adopted to capture dependency between given inputs and also leverage its model capacity with self-attention. Experiments on diverse sorting benchmarks show that our methods perform better than or comparable to baseline methods.

We propose a machine learning-based extension of the classical binomial option pricing model that incorporates key market microstructure effects. Traditional models assume frictionless markets, overlooking empirical features such as bid-ask spreads, discrete price movements, and serial return correlations. Our framework augments the binomial tree with path-dependent transition probabilities estimated via Random Forest classifiers trained on high-frequency market data. This approach preserves no-arbitrage conditions while embedding real-world trading dynamics into the pricing model. Using 46,655 minute-level observations of SPY from January to June 2025, we achieve an AUC of 88.25% in forecasting one-step price movements. Order flow imbalance is identified as the most influential predictor, contributing 43.2% to feature importance. After resolving time-scaling inconsistencies in tree construction, our model yields option prices that deviate by 13.79% from Black-Scholes benchmarks, highlighting the impact of microstructure on fair value estimation. While computational limitations restrict the model to short-term derivatives, our results offer a robust, data-driven alternative to classical pricing methods grounded in empirical market behavior.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

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%.

We propose an empirical measure of the approximate accuracy of feature importance estimates in deep neural networks. Our results across several large-scale image classification datasets show that many popular interpretability methods produce estimates of feature importance that are not better than a random designation of feature importance. Only certain ensemble based approaches---VarGrad and SmoothGrad-Squared---outperform such a random assignment of importance. The manner of ensembling remains critical, we show that some approaches do no better then the underlying method but carry a far higher computational burden.

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.

Priorities in multi-criteria decision-making (MCDM) convey the relevance preference of one criterion over another, which is usually reflected by imposing the non-negativity and unit-sum constraints. The processing of such priorities is different than other unconstrained data, but this point is often neglected by researchers, which results in fallacious statistical analysis. This article studies three prevalent fallacies in group MCDM along with solutions based on compositional data analysis to avoid misusing statistical operations. First, we use a compositional approach to aggregate the priorities of a group of DMs and show that the outcome of the compositional analysis is identical to the normalized geometric mean, meaning that the arithmetic mean should be avoided. Furthermore, a new aggregation method is developed, which is a robust surrogate for the geometric mean. We also discuss the errors in computing measures of dispersion, including standard deviation and distance functions. Discussing the fallacies in computing the standard deviation, we provide a probabilistic criteria ranking by developing proper Bayesian tests, where we calculate the extent to which a criterion is more important than another. Finally, we explain the errors in computing the distance between priorities, and a clustering algorithm is specially tailored based on proper distance metrics.

Diffusion models based on permutation-equivariant networks can learn permutation-invariant distributions for graph data. However, in comparison to their non-invariant counterparts, we have found that these invariant models encounter greater learning challenges since 1) their effective target distributions exhibit more modes; 2) their optimal one-step denoising scores are the score functions of Gaussian mixtures with more components. Motivated by this analysis, we propose a non-invariant diffusion model, called SwinGNN, which employs an efficient edge-to-edge 2-WL message passing network and utilizes shifted window based self-attention inspired by SwinTransformers. Further, through systematic ablations, we identify several critical training and sampling techniques that significantly improve the sample quality of graph generation. At last, we introduce a simple post-processing trick, i.e., randomly permuting the generated graphs, which provably converts any graph generative model to a permutation-invariant one. Extensive experiments on synthetic and real-world protein and molecule datasets show that our SwinGNN achieves state-of-the-art performances. Our code is released at https://github.com/qiyan98/SwinGNN.

As the issue of robustness in AI systems becomes vital, statistical learning techniques that are reliable even in presence of partly contaminated data have to be developed. Preference data, in the form of (complete) rankings in the simplest situations, are no exception and the demand for appropriate concepts and tools is all the more pressing given that technologies fed by or producing this type of data (e.g. search engines, recommending systems) are now massively deployed. However, the lack of vector space structure for the set of rankings (i.e. the symmetric group S_n) and the complex nature of statistics considered in ranking data analysis make the formulation of robustness objectives in this domain challenging. In this paper, we introduce notions of robustness, together with dedicated statistical methods, for Consensus Ranking the flagship problem in ranking data analysis, aiming at summarizing a probability distribution on S_n by a median ranking. Precisely, we propose specific extensions of the popular concept of breakdown point, tailored to consensus ranking, and address the related computational issues. Beyond the theoretical contributions, the relevance of the approach proposed is supported by an experimental study.

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.

We study the problem of interpreting trained classification models in the setting of linguistic data sets. Leveraging a parse tree, we propose to assign least-squares based importance scores to each word of an instance by exploiting syntactic constituency structure. We establish an axiomatic characterization of these importance scores by relating them to the Banzhaf value in coalitional game theory. Based on these importance scores, we develop a principled method for detecting and quantifying interactions between words in a sentence. We demonstrate that the proposed method can aid in interpretability and diagnostics for several widely-used language models.

We study the complexity of sampling from a distribution over all index subsets of the set {1,...,n} with the probability of a subset S proportional to the determinant of the submatrix L_S of some ntimes n p.s.d. matrix L, where L_S corresponds to the entries of L indexed by S. Known as a determinantal point process, this distribution is used in machine learning to induce diversity in subset selection. In practice, we often wish to sample multiple subsets S with small expected size k = E[|S|] ll n from a very large matrix L, so it is important to minimize the preprocessing cost of the procedure (performed once) as well as the sampling cost (performed repeatedly). For this purpose, we propose a new algorithm which, given access to L, samples exactly from a determinantal point process while satisfying the following two properties: (1) its preprocessing cost is n cdot poly(k), i.e., sublinear in the size of L, and (2) its sampling cost is poly(k), i.e., independent of the size of L. Prior to our results, state-of-the-art exact samplers required O(n^3) preprocessing time and sampling time linear in n or dependent on the spectral properties of L. We also give a reduction which allows using our algorithm for exact sampling from cardinality constrained determinantal point processes with ncdotpoly(k) time preprocessing.

Recently bipartite graphs have been widely used to represent the relationship two sets of items for information retrieval applications. The Web offers a wide range of data which can be represented by bipartite graphs, such us movies and reviewers in recomender systems, queries and URLs in search engines, users and posts in social networks. The size and the dynamic nature of such graphs generate the need for more efficient ranking methods. In this thesis, at first we present the fundamental mathematical backround that we use subsequently and we describe the basic principles of the Perron-Frobebius theory for non negative matrices as well as the the basic principles of the Markov chain theory. Then, we propose a novel algorithm named BipartiteRank, which is suitable to rank scenarios, that can be represented as a bipartite graph. This algorithm is based on the random surfer model and inherits the basic mathematical characteristics of PageRank. What makes it different, is the fact that it introduces an alternative type of teleportation, based on the block structure of the bipartite graph in order to achieve more efficient ranking. Finally, we support this opinion with mathematical arguments and then we confirm it experimentally through a series of tests on real data.

Value-model-free RLVR methods such as GRPO assign uniform advantages to all tokens in a rollout, ignoring that tokens contribute unequally. Recent methods use token entropy as an importance proxy but compute it globally across the batch, conflating importance with prompt difficulty and positional trends. We argue that importance should instead be measured relative to the local context of each token. We introduce proximal entropy, a local measure of token importance relative to neighboring tokens, and prove it is invariant to both confounders. Proximal Entropy Policy Optimization (PEPO) uses it to weight per-token advantages and outperforms GRPO and entropy-based baselines on mathematical reasoning across Qwen3-1.7B, Qwen3-4B, and Llama-3.2-3B-Instruct. We also show the formulation generalizes to other algorithms where substituting proximal entropy into existing methods improves, and applying it to single-stream RL succeeds where global entropy fails.

We study the best arm identification problem in a stochastic environment with a novel form of adversarial perturbations, which we coin Shifting Means. While classically the mean rewards of the K arms are stable in time, in Shifting Means only the gaps boldsymbolΔ between mean rewards are stable, while their common shift may be determined adversarially in each round. The objective of the learner is to identify the best arm with high probability while minimizing sample complexity (the fixed confidence setting). Handling shifts requires new tools: we show that algorithms employing a Generalized Likelihood Ratio Test (GLRT) stopping rule, including the popular Track-and-Stop, fail under time-varying shifts. Instead, we propose Importance Weights for Shifting Means (ISM). Assuming means bounded by U and σ^2-sub-Gaussian rewards, we show ISM to be δ-correct and to enjoy a sample complexity bound of order K (σ^2 + U^2) Δ_{min}^{-2} ln 1δ. We also present a matching (up to constant factors) worst-case lower bound and evaluate our results empirically.

Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs, compute node representations by combining all connected edges at once, without distinguishing between edges from different neighbors. There are some GNN architectures proposed specifically for multigraphs, yet these architectures perform only node-level aggregation in their message passing layers, which limits their expressive power. Furthermore, these approaches either lack permutation equivariance when a strict total edge ordering is absent, or fail to preserve the topological structure of the multigraph. To address all these shortcomings, we propose MEGA-GNN, a unified framework for message passing on multigraphs that can effectively perform diverse graph learning tasks. Our approach introduces a two-stage aggregation process in the message passing layers: first, parallel edges are aggregated, followed by a node-level aggregation of messages from distinct neighbors. We show that MEGA-GNN is not only permutation equivariant but also universal given a strict total ordering on the edges. Experiments show that MEGA-GNN significantly outperforms state-of-the-art solutions by up to 13\% on Anti-Money Laundering datasets and is on par with their accuracy on real-world phishing classification datasets in terms of minority class F1 score.

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.

In this paper, we revisit one of the simplest problems in data structures: the task of inserting elements into an open-addressed hash table so that elements can later be retrieved with as few probes as possible. We show that, even without reordering elements over time, it is possible to construct a hash table that achieves far better expected search complexities (both amortized and worst-case) than were previously thought possible. Along the way, we disprove the central conjecture left by Yao in his seminal paper ``Uniform Hashing is Optimal''. All of our results come with matching lower bounds.

The advent of quantum computing poses a profound threat to traditional cryptographic systems, exposing vulnerabilities that compromise the security of digital communication channels reliant on RSA, ECC, and similar classical encryption methods. Quantum algorithms, notably Shor's algorithm, exploit the inherent computational power of quantum computers to efficiently solve mathematical problems underlying these cryptographic schemes. In response, post-quantum cryptography (PQC) emerged as a critical field aimed at developing resilient cryptographic algorithms impervious to quantum attacks. This paper delineates the vulnerabilities of classical cryptographic systems to quantum attacks, elucidates the principles of quantum computing, and introduces various PQC algorithms such as lattice-based cryptography, code-based cryptography, hash-based cryptography, and multivariate polynomial cryptography. Highlighting the importance of PQC in securing digital communication amidst quantum computing advancements, this research underscores its pivotal role in safeguarding data integrity, confidentiality, and authenticity in the face of emerging quantum threats.

This work proposes a novel framework based on nested evolving set processes to accelerate Personalized PageRank (PPR) computation. At each stage of the process, we employ a localized inexact proximal point iteration to solve a simplified linear system. We show that the time complexity of such localized methods is upper bounded by min{mathcal{O}(R^2/ε^2), mathcal{O}(m)} to obtain an ε-approximation of the PPR vector, where m denotes the number of edges in the graph and R is a constant defined via nested evolving set processes. Furthermore, the algorithms induced by our framework require solving only mathcal{O}(1/sqrtα) such linear systems, where α is the damping factor. When 1/ε^2ll m, this implies the existence of an algorithm that computes an epsilon -approximation of the PPR vector with an overall time complexity of mathcal{O}left(R^2 / (sqrtαε^2)right), independent of the underlying graph size. Our result resolves an open conjecture from existing literature. Experimental results on real-world graphs validate the efficiency of our methods, demonstrating significant convergence in the early stages.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

Matrix multiplication optimization remains a fundamental challenge in computational mathematics. This work introduces a novel approach that discovers matrix multiplication schemes in the ternary field (Z_T), where coefficients are restricted to {-1, 0, 1} to minimize naive additive complexity. The core of the method is a GPU-accelerated meta flip graph algorithm that maintains ternary safety through specialized arithmetic operations and sign symmetry breaking. Key results include new best ranks for the formats 4 times 5 times 12, 5 times 6 times 10, and 6 times 7 times 9, the independent discovery of 32 schemes in Z_T that match known optimal ranks (including 8 previously known only with rational coefficients), and 30 rank improvements in the binary field. The analysis of 164 known schemes shows that 92 can be implemented in Z_T, while 72 could not be found in the ternary field with current methods, defining the current boundaries of this approach. All software, results, and discovered schemes are provided as open-source.

Hyperparameter Optimization (HPO) is essential for building high-performing ML/DL models, yet conventional optimizers often struggle in high-dimensional spaces where evaluations are costly and progress is diluted across many low-impact variables. We propose Greedy Importance First (GIF), an importance-aware scheduling strategy that uses a small-sample warm start to estimate hyperparameter importance, forms importance-based groups, allocates trials proportionally, and retains a full-space fallback. We evaluate GIF under fixed evaluation budgets on five anisotropic analytic functions, Bayesmark, and NAS-Bench-301. On the higher-dimensional benchmarks, GIF reaches better incumbents with faster convergence than TPE, BOHB, Random Search, and Sequential Grouping. On Bayesmark, where the effective dimensionality is smaller, GIF remains competitive but the margins are smaller. Ablation studies show that importance estimation, proportional allocation, and the fallback step all contribute to the gains. We also verify that the HIA component recovers the intended anisotropy on the analytic benchmarks. These results suggest that GIF is a simple and plug-compatible way to improve sample efficiency in high-dimensional HPO.

We introduce XiSort, a deterministic and reproducible sorting algorithm for floating-point sequences based on IEEE-754 total ordering and entropy minimization. XiSort guarantees bit-for-bit stability across runs and platforms by resolving tie-breaking via information-theoretic and symbolic methods. The algorithm supports both in-memory and external (out-of-core) operation, offering consistent performance on large datasets. We formalize a curved variant of the sorting metric that integrates into the Alpay Algebra framework, treating XiSort as a recursive operator with provable convergence and symbolic idempotence. This model preserves state-space closure while minimizing local disorder, interpretable as symbolic entropy. Empirical benchmarks demonstrate that XiSort achieves competitive throughput (e.g., sorting 10^8 doubles in approximately 12 seconds in-memory, and 100 GB at around 100 MB/s on SSDs), with applications in scientific computing, high-frequency finance, and reproducible numerical workflows. The results position XiSort as a principled tool for stable data alignment, symbolic preprocessing, and cross-platform float ordering. Keywords: deterministic sorting, IEEE-754, entropy minimization, symbolic algebra, reproducibility, external memory, Alpay Algebra, data pipelines

Interpretability has become an important topic of research as more machine learning (ML) models are deployed and widely used to make important decisions. Most of the current explanation methods provide explanations through feature importance scores, which identify features that are important for each individual input. However, how to systematically summarize and interpret such per sample feature importance scores itself is challenging. In this work, we propose principles and desiderata for concept based explanation, which goes beyond per-sample features to identify higher-level human-understandable concepts that apply across the entire dataset. We develop a new algorithm, ACE, to automatically extract visual concepts. Our systematic experiments demonstrate that \alg discovers concepts that are human-meaningful, coherent and important for the neural network's predictions.

Citizens' assemblies are a form of democratic innovation in which a randomly selected panel of constituents deliberates on questions of public interest. We study a novel goal for the selection of panel members: maximizing the entropy of the distribution over possible panels. We design algorithms that sample from maximum-entropy distributions, potentially subject to constraints on the individual selection probabilities. We investigate the properties of these algorithms theoretically, including in terms of their resistance to manipulation and transparency. We benchmark our algorithms on a large set of real assembly lotteries in terms of their intersectional diversity and the probability of satisfying unseen representation constraints, and we obtain favorable results on both measures. We deploy one of our algorithms on a website for citizens' assembly practitioners.

Large vision transformers present impressive scalability, as their performance can be well improved with increased model capacity. Nevertheless, their cumbersome parameters results in exorbitant computational and memory demands. By analyzing prevalent transformer structures, we find that multilayer perceptron (MLP) modules constitute the largest share of the model's parameters. In this paper, we propose an Adaptive MLP Pruning (AMP) method to substantially reduce the parameters of large vision transformers without obvious performance degradation. First, we adopt Taylor based method to evaluate neuron importance of MLP. However, the importance computation using one-hot cross entropy loss ignores the potential predictions on other categories, thus degrading the quality of the evaluated importance scores. To address this issue, we introduce label-free information entropy criterion to fully model the predictions of the original model for more accurate importance evaluation. Second, we rank the hidden neurons of MLP by the above importance scores and apply binary search algorithm to adaptively prune the ranked neurons according to the redundancy of different MLP modules, thereby avoiding the predefined compression ratio. Experimental results on several state-of-the-art large vision transformers, including CLIP and DINOv2, demonstrate that our method achieves roughly 40\% parameter and FLOPs reduction in a near lossless manner. Moreover, when the models are not finetuned after pruning, our method outperforms other pruning methods by significantly large margin. The source code and trained weights are available at https://github.com/visresearch/AMP.

Generating functions, which are widely used in combinatorics and probability theory, encode function values into the coefficients of a polynomial. In this paper, we explore their use as a tractable probabilistic model, and propose probabilistic generating circuits (PGCs) for their efficient representation. PGCs are strictly more expressive efficient than many existing tractable probabilistic models, including determinantal point processes (DPPs), probabilistic circuits (PCs) such as sum-product networks, and tractable graphical models. We contend that PGCs are not just a theoretical framework that unifies vastly different existing models, but also show great potential in modeling realistic data. We exhibit a simple class of PGCs that are not trivially subsumed by simple combinations of PCs and DPPs, and obtain competitive performance on a suite of density estimation benchmarks. We also highlight PGCs' connection to the theory of strongly Rayleigh distributions.

The irregularity and permutation invariance of point cloud data pose challenges for effective learning. Conventional methods for addressing this issue involve converting raw point clouds to intermediate representations such as 3D voxel grids or range images. While such intermediate representations solve the problem of permutation invariance, they can result in significant loss of information. Approaches that do learn on raw point clouds either have trouble in resolving neighborhood relationships between points or are too complicated in their formulation. In this paper, we propose a novel approach to representing point clouds as a locality preserving 1D ordering induced by the Hilbert space-filling curve. We also introduce Point2Point, a neural architecture that can effectively learn on Hilbert-sorted point clouds. We show that Point2Point shows competitive performance on point cloud segmentation and generation tasks. Finally, we show the performance of Point2Point on Spatio-temporal Occupancy prediction from Point clouds.

Using a long-standing conjecture from combinatorial group theory, we explore, from multiple perspectives, the challenges of finding rare instances carrying disproportionately high rewards. Based on lessons learned in the context defined by the Andrews-Curtis conjecture, we propose algorithmic enhancements and a topological hardness measure with implications for a broad class of search problems. As part of our study, we also address several open mathematical questions. Notably, we demonstrate the length reducibility of all but two presentations in the Akbulut-Kirby series (1981), and resolve various potential counterexamples in the Miller-Schupp series (1991), including three infinite subfamilies.

We introduce Ψ-Resilience, a model-free feature importance method that derives explanations directly from the data itself via 1D topological signals. Our method constructs a class-disagreement landscape by estimating class-conditional densities and taking their pointwise absolute difference along the feature axis. Then, the 0-dimensional persistence of this 1D signal defines a resilience functional that aggregates only those topological features that survive perturbations up to a robustness scale which is set by the user. This gives us a context-robust importance score that is inherently auditable via the underlying 1D landscapes and their persistence. We evaluate our method on both synthetic and real datasets. On synthetic generators with specified ground-truth importance, Ψ-Resilience recovers the ranking of features with high fidelity, achieving Spearman rank correlations up to 0.8 and performing competitively with multiple feature importance methods, including SHAP and mutual information. On real datasets with no known ground truth, our technique agrees with these methods, with correlations up to 0.9. These results show that Ψ-Resilience is a stable explanation method that enables rigorous, distribution-level auditing of feature importance without relying on a predictive model.

We consider multi-draft speculative sampling, where the proposal sequences are sampled independently from different draft models. At each step, a token-level draft selection scheme takes a list of valid tokens as input and produces an output token whose distribution matches that of the target model. Previous works have demonstrated that the optimal scheme (which maximizes the probability of accepting one of the input tokens) can be cast as a solution to a linear program. In this work we show that the optimal scheme can be decomposed into a two-step solution: in the first step an importance sampling (IS) type scheme is used to select one intermediate token; in the second step (single-draft) speculative sampling is applied to generate the output token. For the case of two identical draft models we further 1) establish a necessary and sufficient condition on the distributions of the target and draft models for the acceptance probability to equal one and 2) provide an explicit expression for the optimal acceptance probability. Our theoretical analysis also motives a new class of token-level selection scheme based on weighted importance sampling. Our experimental results demonstrate consistent improvements in the achievable block efficiency and token rates over baseline schemes in a number of scenarios.

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

Let B_t(n) be the number of set partitions of a set of size~t into at most n parts and let B'_t(n) be the number of set partitions of {1,ldots, t} into at most n parts such that no part contains both 1 and~t or both i and i+1 for any i in {1,ldots,t-1}. We give two new combinatorial interpretations of the numbers B_t(n) and B'_t(n) using sequences of random-to-top shuffles, %that leave a deck of cards invariant, and sequences of box moves on the Young diagrams of partitions. Using these ideas we obtain a very short proof of a generalization of a result of Phatarfod on the eigenvalues of the random-to-top shuffle. We also prove analogous results for random-to-top shuffles that may flip certain cards. The proofs use the Solomon descent algebras of Types A, B and~D. We give generating functions and asymptotic results for all the combinatorial quantities studied in this paper.

In this work, we present Point Transformer, a deep neural network that operates directly on unordered and unstructured point sets. We design Point Transformer to extract local and global features and relate both representations by introducing the local-global attention mechanism, which aims to capture spatial point relations and shape information. For that purpose, we propose SortNet, as part of the Point Transformer, which induces input permutation invariance by selecting points based on a learned score. The output of Point Transformer is a sorted and permutation invariant feature list that can directly be incorporated into common computer vision applications. We evaluate our approach on standard classification and part segmentation benchmarks to demonstrate competitive results compared to the prior work. Code is publicly available at: https://github.com/engelnico/point-transformer

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

Diffusion language models are a promising alternative to autoregressive models due to their potential for faster generation. Among discrete diffusion approaches, Masked diffusion currently dominates, largely driven by strong perplexity on language modeling benchmarks. In this work, we present the first scaling law study of uniform-state and interpolating discrete diffusion methods. We also show that Masked diffusion models can be made approximately 12% more FLOPs-efficient when trained with a simple cross-entropy objective. We find that perplexity is informative within a diffusion family but can be misleading across families, where models with worse likelihood scaling may be preferable due to faster and more practical sampling, as reflected by the speed-quality Pareto frontier. These results challenge the view that Masked diffusion is categorically the future of diffusion language modeling and that perplexity alone suffices for cross-algorithm comparison. Scaling all methods to 1.7B parameters, we show that uniform-state diffusion remains competitive on likelihood-based benchmarks and outperforms autoregressive and Masked diffusion models on GSM8K, despite worse validation perplexity. We provide the code, model checkpoints, and video tutorials on the project page: http://s-sahoo.github.io/scaling-dllms

Standard representation probing for visual models relies on mathematically permutation-invariant operations like Global Average Pooling (GAP) or CLS tokens, treating patch representations as an unstructured bag-of-words. We challenge this paradigm by demonstrating that token order is a critical, exploitable dimension in frozen visual representations (e.g., MAE, BEiT, DINOv2, and ViT as CLS-ablation extreme). We propose SSMProbe, a probing framework driven by a State Space Model (SSM). Operating as discrete Linear Time-Invariant (LTI) dynamical systems, SSMs act as permutation-sensitive probes where sequence order strictly dictates the final state due to inherent memory decay. Formulating token ordering as an information scheduling problem, we compare fixed scan heuristics against a differentiable soft permutation (Sinkhorn-based) learned from downstream supervision. Evaluations on standard and fine-grained classification benchmarks reveal a striking order gap: while fixed scans fail dramatically on highly localized patch features, our learned soft permutation successfully extracts highly competitive performance from otherwise heavily localized patch sequences. We find that pre-training objectives fundamentally shape token structure: DINOv2 concentrates global semantics in optimized CLS tokens leaving patches hyperspecialized, pure MAE preserves distributed representations with heterogeneous patch informativeness, and ViT represents a supervised CLS-dominated extreme. BEiT occupies middle ground. This heterogeneity is order-dependent -- meaning the SSM probe's performance depends critically on which tokens are placed at which temporal positions -- and is not merely a topological property of the spatial grid. SSMProbe's learned routing effectively discovers and exploits this heterogeneity, offering a powerful new diagnostic lens for visual representation analysis.

Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution.

In ecology, psychometrics, and the analysis of social and financial networks, binary matrices are often analyzed conditional on their observed row and column sums, which restricts the problem to a finite sample space of matrices with the same margins. Two fundamental problems are to count this space and to sample uniformly from it. Sequential importance sampling (SIS) addresses both with independent weighted samples and an unbiased count estimator, but its efficiency depends critically on the proposal distribution. Existing proposals are analytically designed, and their accuracy can vary substantially with the margins. We show that the ideal SIS proposal, under which every weight equals the count and the variance vanishes, is exactly the policy of a generative flow network (GFlowNet) with unit reward on every matrix that has the given margins. We therefore propose MarginFlow, a framework that turns the design of the proposal into a learning problem and amortizes it across margins by exploiting their self-similarity. Every partial matrix is itself an instance with reduced margins, so one set transformer that reads the remaining margins serves every margin. We train MarginFlow on a pool of 1904 margins and evaluate it zero-shot on 1190 held-out margins, synthetic and real, from 3times3 to 870times6. On 1187 of the 1190 margins it matches or beats the best of 31 analytically designed configurations, chosen post hoc for each margin, and its median effective sample fraction is 99.8%. On the 56 margins where that best loses more than one nat of effective sample size, MarginFlow wins every one and raises the median effective sample fraction from 10.3% to 94.1%.

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.

Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.

This paper develops a new mathematical-statistical approach to analyze a class of Flajolet-Martin algorithms (FMa), and provides analytical confidence intervals for the number F0 of distinct elements in a stream, based on Chernoff bounds. The class of FMa has reached a significant popularity in bigdata stream learning, and the attention of the literature has mainly been based on algorithmic aspects, basically complexity optimality, while the statistical analysis of these class of algorithms has been often faced heuristically. The analysis provided here shows deep connections with mathematical special functions and with extreme value theory. The latter connection may help in explaining heuristic considerations, while the first opens many numerical issues, faced at the end of the present paper. Finally, the algorithms are tested on an anonymized real data stream and MonteCarlo simulations are provided to support our analytical choice in this context.

Multi-layer perceptron (MLP) is a fundamental component of deep learning that has been extensively employed for various problems. However, recent empirical successes in MLP-based architectures, particularly the progress of the MLP-Mixer, have revealed that there is still hidden potential in improving MLPs to achieve better performance. In this study, we reveal that the MLP-Mixer works effectively as a wide MLP with certain sparse weights. Initially, we clarify that the mixing layer of the Mixer has an effective expression as a wider MLP whose weights are sparse and represented by the Kronecker product. This expression naturally defines a permuted-Kronecker (PK) family, which can be regarded as a general class of mixing layers and is also regarded as an approximation of Monarch matrices. Subsequently, because the PK family effectively constitutes a wide MLP with sparse weights, one can apply the hypothesis proposed by Golubeva, Neyshabur and Gur-Ari (2021) that the prediction performance improves as the width (sparsity) increases when the number of weights is fixed. We empirically verify this hypothesis by maximizing the effective width of the MLP-Mixer, which enables us to determine the appropriate size of the mixing layers quantitatively.

It has recently been conjectured that neural network solution sets reachable via stochastic gradient descent (SGD) are convex, considering permutation invariances (Entezari et al., 2022). This means that a linear path can connect two independent solutions with low loss, given the weights of one of the models are appropriately permuted. However, current methods to test this theory often require very wide networks to succeed. In this work, we conjecture that more generally, the SGD solution set is a "star domain" that contains a "star model" that is linearly connected to all the other solutions via paths with low loss values, modulo permutations. We propose the Starlight algorithm that finds a star model of a given learning task. We validate our claim by showing that this star model is linearly connected with other independently found solutions. As an additional benefit of our study, we demonstrate better uncertainty estimates on the Bayesian Model Averaging over the obtained star domain. Further, we demonstrate star models as potential substitutes for model ensembles. Our code is available at https://github.com/aktsonthalia/starlight.

How strongly do the remaining diffusion-sampling steps amplify a perturbation at a late latent state? Standard measurements answer this question with newly sampled isotropic noise, even though perturbations encountered during sampling have already been transformed by earlier steps. We compare these two cases directly. For each trajectory, we transport a centered perturbation from an earlier step to a late state, then replay its direction at the same magnitude as a newly sampled isotropic perturbation; both then undergo the same remaining updates. Across the samplers we study, median paired shaped-to-fresh angular-gain ratios range from 1.14 to 2.35. Shaped angular gain exceeds its matched fresh counterpart in every trajectory in the original main cohorts. The same pattern appears when endpoint change is measured by latent RMS. The effect also appears in perceptual feature representations: earlier-sampling directions cause larger feature changes at the endpoint, even when the corresponding pixel-space change is comparable. Permuting shaped directions across trajectories weakens the effect, including within class, indicating that the advantage depends on alignment with the receiving trajectory as well as on shared directional structure.

The Shapley value is one of the most widely used measures of feature importance partly as it measures a feature's average effect on a model's prediction. We introduce joint Shapley values, which directly extend Shapley's axioms and intuitions: joint Shapley values measure a set of features' average contribution to a model's prediction. We prove the uniqueness of joint Shapley values, for any order of explanation. Results for games show that joint Shapley values present different insights from existing interaction indices, which assess the effect of a feature within a set of features. The joint Shapley values provide intuitive results in ML attribution problems. With binary features, we present a presence-adjusted global value that is more consistent with local intuitions than the usual approach.

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.

In an era where accumulating data is easy and storing it inexpensive, feature selection plays a central role in helping to reduce the high-dimensionality of huge amounts of otherwise meaningless data. In this paper, we propose a graph-based method for feature selection that ranks features by identifying the most important ones into arbitrary set of cues. Mapping the problem on an affinity graph-where features are the nodes-the solution is given by assessing the importance of nodes through some indicators of centrality, in particular, the Eigen-vector Centrality (EC). The gist of EC is to estimate the importance of a feature as a function of the importance of its neighbors. Ranking central nodes individuates candidate features, which turn out to be effective from a classification point of view, as proved by a thoroughly experimental section. Our approach has been tested on 7 diverse datasets from recent literature (e.g., biological data and object recognition, among others), and compared against filter, embedded and wrappers methods. The results are remarkable in terms of accuracy, stability and low execution time.

While plan-and-infill decoding in Masked Diffusion Models (MDMs) shows promise for mathematical and code reasoning, performance remains highly sensitive to slot infilling order, often yielding substantial output variance. We introduce McDiffuSE, a framework that formulates slot selection as decision making and optimises infilling orders through Monte Carlo Tree Search (MCTS). McDiffuSE uses look-ahead simulations to evaluate partial completions before commitment, systematically exploring the combinatorial space of generation orders. Experiments show an average improvement of 3.2% over autoregressive baselines and 8.0% over baseline plan-and-infill, with notable gains of 19.5% on MBPP and 4.9% on MATH500. Our analysis reveals that while McDiffuSE predominantly follows sequential ordering, incorporating non-sequential generation is essential for maximising performance. We observe that larger exploration constants, rather than increased simulations, are necessary to overcome model confidence biases and discover effective orderings. These findings establish MCTS-based planning as an effective approach for enhancing generation quality in MDMs.

In this work, we investigate whether small language models can determine high-quality subsets of large-scale text datasets that improve the performance of larger language models. While existing work has shown that pruning based on the perplexity of a larger model can yield high-quality data, we investigate whether smaller models can be used for perplexity-based pruning and how pruning is affected by the domain composition of the data being pruned. We demonstrate that for multiple dataset compositions, perplexity-based pruning of pretraining data can significantly improve downstream task performance: pruning based on perplexities computed with a 125 million parameter model improves the average performance on downstream tasks of a 3 billion parameter model by up to 2.04 and achieves up to a 1.45times reduction in pretraining steps to reach commensurate baseline performance. Furthermore, we demonstrate that such perplexity-based data pruning also yields downstream performance gains in the over-trained and data-constrained regimes.

The performance emergence of large language models (LLMs) driven by data scaling laws makes the selection of pre-training data increasingly important. However, existing methods rely on limited heuristics and human intuition, lacking comprehensive and clear guidelines. To address this, we are inspired by ``reverse thinking'' -- prompting LLMs to self-identify which criteria benefit its performance. As its pre-training capabilities are related to perplexity (PPL), we derive 14 quality criteria from the causes of text perplexity anomalies and introduce 15 common application domains to support domain mixing. In this paper, we train a Data Manager (DataMan) to learn quality ratings and domain recognition from pointwise rating, and use it to annotate a 447B token pre-training corpus with 14 quality ratings and domain type. Our experiments validate our approach, using DataMan to select 30B tokens to train a 1.3B-parameter language model, demonstrating significant improvements in in-context learning (ICL), perplexity, and instruction-following ability over the state-of-the-art baseline. The best-performing model, based on the Overall Score l=5 surpasses a model trained with 50% more data using uniform sampling. We continue pre-training with high-rated, domain-specific data annotated by DataMan to enhance domain-specific ICL performance and thus verify DataMan's domain mixing ability. Our findings emphasize the importance of quality ranking, the complementary nature of quality criteria, and their low correlation with perplexity, analyzing misalignment between PPL and ICL performance. We also thoroughly analyzed our pre-training dataset, examining its composition, the distribution of quality ratings, and the original document sources.