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Sep 17

Exact Learning of Permutations for Nonzero Binary Inputs with Logarithmic Training Size and Quadratic Ensemble Complexity

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.

  • 3 authors
·
Feb 23, 2025

Knowledge Graph Embedding by Normalizing Flows

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.

  • 3 authors
·
Sep 30, 2024

CountsDiff: A Diffusion Model on the Natural Numbers for Generation and Imputation of Count-Based Data

Diffusion models have excelled at generative tasks for both continuous and token-based domains, but their application to discrete ordinal data remains underdeveloped. We present CountsDiff, a diffusion framework designed to model distributions on the natural numbers. CountsDiff extends the Blackout diffusion framework by simplifying its formulation through a direct parameterization in terms of a survival probability schedule and an explicit loss weighting. This introduces flexibility through design parameters with direct analogues in existing diffusion modeling frameworks. Beyond this reparameterization, CountsDiff introduces features from modern diffusion models, previously absent in counts-based domains, including continuous-time training, classifier-free guidance, and churn/remasking reverse dynamics that allow non-monotone reverse trajectories. We propose an initial instantiation of CountsDiff and validate it on natural image datasets (CIFAR-10, CelebA), exploring the effects of the introduced design parameters in a complex, well-studied, and interpretable data domain. We then highlight biological count assays as a natural use case, evaluating CountsDiff on single-cell RNA-seq imputation in fetal and heart cell atlases. Remarkably, we find that even this simple instantiation matches or surpasses the performance of a state-of-the-art discrete generative model and leading scRNA-seq imputation methods, while leaving substantial headroom for further gains through optimized design choices in future work.

  • 8 authors
·
Jun 3

The Impossibility of Inverse Permutation Learning in Transformer Models

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).

  • 4 authors
·
Sep 28, 2025

Subgraph Permutation Equivariant Networks

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.

  • 2 authors
·
Nov 23, 2021

Analysis of Linear Mode Connectivity via Permutation-Based Weight Matching

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.

  • 3 authors
·
Feb 6, 2024

CayleyPy Growth: Efficient growth computations and hundreds of new conjectures on Cayley graphs (Brief version)

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.

  • 49 authors
·
Sep 23, 2025

CombiBench: Benchmarking LLM Capability for Combinatorial Mathematics

Neurosymbolic approaches integrating large language models with formal reasoning have recently achieved human-level performance on mathematics competition problems in algebra, geometry and number theory. In comparison, combinatorics remains a challenging domain, characterized by a lack of appropriate benchmarks and theorem libraries. To address this gap, we introduce CombiBench, a comprehensive benchmark comprising 100 combinatorial problems, each formalized in Lean~4 and paired with its corresponding informal statement. The problem set covers a wide spectrum of difficulty levels, ranging from middle school to IMO and university level, and span over ten combinatorial topics. CombiBench is suitable for testing IMO solving capabilities since it includes all IMO combinatorial problems since 2000 (except IMO 2004 P3 as its statement contain an images). Furthermore, we provide a comprehensive and standardized evaluation framework, dubbed Fine-Eval (for Fill-in-the-blank in Lean Evaluation), for formal mathematics. It accommodates not only proof-based problems but also, for the first time, the evaluation of fill-in-the-blank questions. Using Fine-Eval as the evaluation method and Kimina Lean Server as the backend, we benchmark several LLMs on CombiBench and observe that their capabilities for formally solving combinatorial problems remain limited. Among all models tested (none of which has been trained for this particular task), Kimina-Prover attains the best results, solving 7 problems (out of 100) under both ``with solution'' and ``without solution'' scenarios. We open source the benchmark dataset alongside with the code of the proposed evaluation method at https://github.com/MoonshotAI/CombiBench/.

  • 15 authors
·
May 6, 2025

Uniformity in Heterogeneity:Diving Deep into Count Interval Partition for Crowd Counting

Recently, the problem of inaccurate learning targets in crowd counting draws increasing attention. Inspired by a few pioneering work, we solve this problem by trying to predict the indices of pre-defined interval bins of counts instead of the count values themselves. However, an inappropriate interval setting might make the count error contributions from different intervals extremely imbalanced, leading to inferior counting performance. Therefore, we propose a novel count interval partition criterion called Uniform Error Partition (UEP), which always keeps the expected counting error contributions equal for all intervals to minimize the prediction risk. Then to mitigate the inevitably introduced discretization errors in the count quantization process, we propose another criterion called Mean Count Proxies (MCP). The MCP criterion selects the best count proxy for each interval to represent its count value during inference, making the overall expected discretization error of an image nearly negligible. As far as we are aware, this work is the first to delve into such a classification task and ends up with a promising solution for count interval partition. Following the above two theoretically demonstrated criterions, we propose a simple yet effective model termed Uniform Error Partition Network (UEPNet), which achieves state-of-the-art performance on several challenging datasets. The codes will be available at: https://github.com/TencentYoutuResearch/CrowdCounting-UEPNet.

  • 10 authors
·
Aug 6, 2021

On the Power of the Weisfeiler-Leman Test for Graph Motif Parameters

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the k-dimensional Weisfeiler-Leman (kWL) test, a widely-recognized method for verifying graph isomorphism. This connection has reignited interest in comprehending the specific graph properties effectively distinguishable by the kWL test. A central focus of research in this field revolves around determining the least dimensionality k, for which kWL can discern graphs with different number of occurrences of a pattern graph P. We refer to such a least k as the WL-dimension of this pattern counting problem. This inquiry traditionally delves into two distinct counting problems related to patterns: subgraph counting and induced subgraph counting. Intriguingly, despite their initial appearance as separate challenges with seemingly divergent approaches, both of these problems are interconnected components of a more comprehensive problem: "graph motif parameters". In this paper, we provide a precise characterization of the WL-dimension of labeled graph motif parameters. As specific instances of this result, we obtain characterizations of the WL-dimension of the subgraph counting and induced subgraph counting problem for every labeled pattern P. We additionally demonstrate that in cases where the kWL test distinguishes between graphs with varying occurrences of a pattern P, the exact number of occurrences of P can be computed uniformly using only local information of the last layer of a corresponding GNN. We finally delve into the challenge of recognizing the WL-dimension of various graph parameters. We give a polynomial time algorithm for determining the WL-dimension of the subgraph counting problem for given pattern P, answering an open question from previous work.

  • 2 authors
·
Sep 29, 2023

Rethink MAE with Linear Time-Invariant Dynamics

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.

  • 1 authors
·
Apr 28

Small Foundation Models of Human Cognition and Behaviour

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.

socius socius labs
·
Aug 8 4

Multigraph Message Passing with Bi-Directional Multi-Edge Aggregations

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.

  • 3 authors
·
Dec 9, 2024

ComBench: A Benchmark for Rigorous Proof Reasoning and Constructive Realization in Olympiad-Level Combinatorics

Combinatorics is central to Olympiad-level mathematical problem solving, requiring deep discrete reasoning, creative constructions, and rigorous structural insight. Recent evidence suggests that even today's strongest frontier models remain uneven on Olympiad combinatorics, revealing a gap in creative mathematical reasoning. We introduce ComBench, an Olympiad-level combinatorics benchmark for evaluating and diagnosing the combinatorial reasoning capabilities of large language models. ComBench contains 100 human-annotated competition-level problems organized around two complementary settings: analysis-centric problems, which primarily require rigorous mathematical arguments, and construction-centric problems, which require explicit constructions in addition to correctness justifications. The evaluation protocol combines rubric-guided proof grading with deterministic construction verification, exposing cases where proof quality and construction validity diverge. Experiments on frontier open- and closed-source models show that ComBench is far from saturated: the strongest model reaches 65.4% overall Avg. and 75.3% overall Best@4. We further find that Rigorous Proof Reasoning and Constructive Realization are distinct capabilities: Kimi-K2.6 trails GPT-5.5 on analysis-centric proof grading but surpasses it on construction-centric Best@4, while Existence and Construction problems remain consistently hardest across representative frontier models.

The Problem Is the Problem: Towards Scalable Mathematical Discovery

AI systems are increasingly capable of contributing to mathematical research. In research practice, frontier-model reasoning is a limited resource, and expert mathematical review is even more sharply constrained. Allocating these scarce resources well is therefore central to making AI-assisted mathematical discovery efficient. In most current AI-for-math workflows, human effort is concentrated at the beginning and end, in selecting suitable research problems and later reviewing the resulting artifacts. These two stages are becoming bottlenecks for research-level mathematics. We address them by proposing a new human-AI discovery paradigm. The human input is no longer a single problem selected in advance, but a research direction in which the experts have interest and expertise. The system then searches a broad literature corpus for candidate problems in that direction. Inspired by search and recommender systems, we build Find, Attempt, and Recommend (FAR), a literature-to-review cascade that automates the search for suitable problems and focuses human attention on artifacts that have passed several stages of filtering. In a combinatorics pilot, the pipeline starts from 5,245 combinatorics papers, recovers 6,453 candidate conjectures or open problems, and filters them to 4,717 apparently well-posed and still-open conjectures. Subsequent reasoning and automated triage stages surface 598 potential resolutions and select 77 items for author-team review. Among them, we identify many interesting discoveries, including results on conjectures and questions of Davies--Jenssen--Perkins--Roberts, Erdős--Straus, Ikenmeyer--Pak--Panova, and Lund--Saraf--Wolf. These results demonstrate the effectiveness of this new mode of human-AI collaboration for mathematical discovery.

Faster Algorithms for Text-to-Pattern Hamming Distances

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

  • 4 authors
·
Oct 19, 2023

Denotational validation of higher-order Bayesian inference

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

  • 10 authors
·
Nov 8, 2017

Enhancing Neural Subset Selection: Integrating Background Information into Set Representations

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.

  • 8 authors
·
Feb 5, 2024

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7

Mitigating Reversal Curse in Large Language Models via Semantic-aware Permutation Training

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.

  • 6 authors
·
Mar 1, 2024

Probabilistic Partitive Partitioning (PPP)

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

  • 1 authors
·
Mar 9, 2020

Parity families and a kernel-averaged L-function for near-Ramanujan signings

For a signing σ of a d-regular graph, the spectrum of A_σ depends only on the signs of cycles. We study the affine mathbb F_2 family of signings making every short even cycle unbalanced, and show that averaging over it converts the sign problem of the Bilu-Linial conjecture into a counting problem: a master identity expresses the family-averaged trace as a parity-weighted sum over wrap classes confined to the span W of the constraint cycles, and the family-averaged Ihara L-function diagonalizes so that every prime whose parity escapes W contributes the Ramanujan rate d-1 automatically. Uniform averaging over all signings, by contrast, provably cannot certify a spectral radius below the Kesten profile. We prove matched upper and lower bounds for the confined walk counts, a doubling injection from below, and from above an ear-decomposition encoding in which the number of fresh runs of a non-backtracking walk equals the cycle rank of its support, combined with a window lemma for bicycle-free graphs and a rank bound via the Moore bound for irregular graphs. Consequences include varepsilon-versions of the Bilu-Linial conjecture: every d-regular graph that is subcritical at scale log n, and every d-regular graph bicycle-free at radius Cloglog n/δ, admits a signing in the parity family with ρ(A_σ)le2d-1(1+Cδlog(1/δ))(1+o(1)). We further identify the necessary hypotheses exactly (K_d-trapping; tree-burst gadgets), give an exact certificate on the hypercube, and record a decisive obstruction to two-sided interlacing: mathbb E_σdet(xI-A_σ^2) is not real-rooted, already for the quadrilateral, where it equals (x^2-4x+2)^2+4.

  • 1 authors
·
Jul 18

Contraction-Gauge Preconditioning for Quantized Matrix Multiplication

We study low-precision computation of C=AB with both factors quantized. We derive an exact finite-dimensional identity for the expected squared product error under independent, zero-mean entrywise errors with known variance fields; it holds exactly for non-overloading subtractive dither and for independent stochastic rounding, and we empirically assess deterministic round-to-nearest (RTN). Using the product-preserving equivalence AB=(AT)(T^{-1}B), we formulate contraction-gauge preconditioning: jointly choosing a factor representation and its sharing pattern before quantization. Preconditioning can reduce product error but may require extra transformed, quantized copies of the opposite operand: a shared transform needs one copy, a block-specific transform up to one per block. Within the bounded family of positive diagonal gauges (folds), a geometric program computes a globally optimal shared fold and a linear program decides whether the identity fold is already optimal. For other families we derive computable selection statistics -- tail index for scaling, profile spread for partitioning, coherence and weighted-Gram energy for rotations, slice-energy covariance for hierarchy depth -- with upper bounds for ranking heuristic candidates. Across twelve linear products from a trained three-block image classifier, median within-product rank correlations between dither-model predictions and deterministic-RTN errors are 0.937 at 8 bits and 0.918 at 4 bits. The GP fold cuts held-out product error over the identity fold by 18.0% (8-bit) and 20.5% (4-bit) in geometric mean, beats a SmoothQuant-style grid baseline at both precisions and on ten of twelve products, and lowers composed logit MSE by 15.4% and 26.4%. We thus provide exact stochastic product-error accounting, certified selection within the diagonal family, and a common objective for evaluating reusable transform candidates under RTN.

  • 5 authors
·
Jul 20

Iterative Object Count Optimization for Text-to-image Diffusion Models

We address a persistent challenge in text-to-image models: accurately generating a specified number of objects. Current models, which learn from image-text pairs, inherently struggle with counting, as training data cannot depict every possible number of objects for any given object. To solve this, we propose optimizing the generated image based on a counting loss derived from a counting model that aggregates an object\'s potential. Employing an out-of-the-box counting model is challenging for two reasons: first, the model requires a scaling hyperparameter for the potential aggregation that varies depending on the viewpoint of the objects, and second, classifier guidance techniques require modified models that operate on noisy intermediate diffusion steps. To address these challenges, we propose an iterated online training mode that improves the accuracy of inferred images while altering the text conditioning embedding and dynamically adjusting hyperparameters. Our method offers three key advantages: (i) it can consider non-derivable counting techniques based on detection models, (ii) it is a zero-shot plug-and-play solution facilitating rapid changes to the counting techniques and image generation methods, and (iii) the optimized counting token can be reused to generate accurate images without additional optimization. We evaluate the generation of various objects and show significant improvements in accuracy. The project page is available at https://ozzafar.github.io/count_token.

  • 3 authors
·
Aug 21, 2024 2

Exponential Separation between Quantum and Classical Ordered Binary Decision Diagrams, Reordering Method and Hierarchies

In this paper, we study quantum Ordered Binary Decision Diagrams(OBDD) model; it is a restricted version of read-once quantum branching programs, with respect to "width" complexity. It is known that the maximal gap between deterministic and quantum complexities is exponential. But there are few examples of functions with such a gap. We present a new technique ("reordering") for proving lower bounds and upper bounds for OBDD with an arbitrary order of input variables if we have similar bounds for the natural order. Using this transformation, we construct a total function REQ such that the deterministic OBDD complexity of it is at least 2^{Ω(n / log n)}, and the quantum OBDD complexity of it is at most O(n^2/log n). It is the biggest known gap for explicit functions not representable by OBDDs of a linear width. Another function(shifted equality function) allows us to obtain a gap 2^{Ω(n)} vs O(n^2). Moreover, we prove the bounded error quantum and probabilistic OBDD width hierarchies for complexity classes of Boolean functions. Additionally, using "reordering" method we extend a hierarchy for read-k-times Ordered Binary Decision Diagrams (k-OBDD) of polynomial width, for k = o(n / log^3 n). We prove a similar hierarchy for bounded error probabilistic k-OBDDs of polynomial, superpolynomial and subexponential width. The extended abstract of this work was presented on International Computer Science Symposium in Russia, CSR 2017, Kazan, Russia, June 8 -- 12, 2017

  • 3 authors
·
Apr 21, 2022

An information theoretic necessary condition for perfect reconstruction

A new information theoretic condition is presented for reconstructing a discrete random variable X based on the knowledge of a set of discrete functions of X. The reconstruction condition is derived from Shannon's 1953 lattice theory with two entropic metrics of Shannon and Rajski. Because such a theoretical material is relatively unknown and appears quite dispersed in different references, we first provide a synthetic description (with complete proofs) of its concepts, such as total, common and complementary informations. Definitions and properties of the two entropic metrics are also fully detailed and shown compatible with the lattice structure. A new geometric interpretation of such a lattice structure is then investigated that leads to a necessary (and sometimes sufficient) condition for reconstructing the discrete random variable X given a set { X_1,ldots,X_{n} } of elements in the lattice generated by X. Finally, this condition is illustrated in five specific examples of perfect reconstruction problems: reconstruction of a symmetric random variable from the knowledge of its sign and absolute value, reconstruction of a word from a set of linear combinations, reconstruction of an integer from its prime signature (fundamental theorem of arithmetic) and from its remainders modulo a set of coprime integers (Chinese remainder theorem), and reconstruction of the sorting permutation of a list from a minimal set of pairwise comparisons.

  • 5 authors
·
Jun 27, 2023

Learnable Commutative Monoids for Graph Neural Networks

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al. [2020] proved there are set-aggregation problems for which summing cannot generalise to unbounded inputs, proposing recurrent neural networks regularised towards permutation-invariance as a more expressive aggregator. We show that these results carry over to the graph domain: GNNs equipped with recurrent aggregators are competitive with state-of-the-art permutation-invariant aggregators, on both synthetic benchmarks and real-world problems. However, despite the benefits of recurrent aggregators, their O(V) depth makes them both difficult to parallelise and harder to train on large graphs. Inspired by the observation that a well-behaved aggregator for a GNN is a commutative monoid over its latent space, we propose a framework for constructing learnable, commutative, associative binary operators. And with this, we construct an aggregator of O(log V) depth, yielding exponential improvements for both parallelism and dependency length while achieving performance competitive with recurrent aggregators. Based on our empirical observations, our proposed learnable commutative monoid (LCM) aggregator represents a favourable tradeoff between efficient and expressive aggregators.

  • 2 authors
·
Dec 16, 2022

Stochastic Function Certification with Correlations

We study the Stochastic Boolean Function Certification (SBFC) problem, where we are given n Bernoulli random variables {X_e: e in U} on a ground set U of n elements with joint distribution p, a Boolean function f: 2^U to {0, 1}, and an (unknown) scenario S = {e in U: X_e = 1} of active elements sampled from p. We seek to probe the elements one-at-a-time to reveal if they are active until we can certify f(S) = 1, while minimizing the expected number of probes. Unlike most previous results that assume independence, we study correlated distributions p and give approximation algorithms for several classes of functions f. When f(S) is the indicator function for whether S is the spanning set of a given matroid, our problem reduces to finding a basis of active elements of a matroid by probing elements. We give a non-adaptive O(log n)-approximation algorithm for arbitrary distributions p, and show that this is tight up to constants unless P = NP, even for partition matroids. For uniform matroids, we give constant factor 4.642-approximation ([BBFT20]) that can be further improved to a 2-approximation if additionally the random variables are negatively correlated for the case of 1-uniform matroid. We also give an adaptive O(log k)-approximation algorithm for SBFC for k-uniform matroids for the Graph Probing problem, where we seek to probe the edges of a graph one-at-a-time until we find k active edges. The underlying distribution on edges arises from (hidden) independent vertex random variables, with an edge being active if at least one of its endpoints is active. This significantly improves over the information-theoretic lower bound on Ω(poly(n)) ([JGM19]) for adaptive algorithms for k-uniform matroids with arbitrary distributions.

  • 3 authors
·
Apr 2

Scaling Gaussian Process Optimization by Evaluating a Few Unique Candidates Multiple Times

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

  • 5 authors
·
Jan 30, 2022

Qin's Algorithm, Continued Fractions and 2-dimensional Lattices

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.

  • 2 authors
·
Nov 6, 2023

Subset Selection Based On Multiple Rankings in the Presence of Bias: Effectiveness of Fairness Constraints for Multiwinner Voting Score Functions

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

  • 5 authors
·
Jun 16, 2023