Daily Papers

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks, and (2) the design of good heuristics or approximation algorithms often requires significant manual trial-and-error. In this work, we argue that data-driven strategies can automate this process and learn efficient algorithms without compromising optimality. To do so, we present network control problems through the lens of reinforcement learning and propose a graph network-based framework to handle a broad class of problems. Instead of naively computing actions over high-dimensional graph elements, e.g., edges, we propose a bi-level formulation where we (1) specify a desired next state via RL, and (2) solve a convex program to best achieve it, leading to drastically improved scalability and performance. We further highlight a collection of desirable features to system designers, investigate design decisions, and present experiments on real-world control problems showing the utility, scalability, and flexibility of our framework.

The deployment constraints in practical applications necessitate the pruning of large-scale deep learning models, i.e., promoting their weight sparsity. As illustrated by the Lottery Ticket Hypothesis (LTH), pruning also has the potential of improving their generalization ability. At the core of LTH, iterative magnitude pruning (IMP) is the predominant pruning method to successfully find 'winning tickets'. Yet, the computation cost of IMP grows prohibitively as the targeted pruning ratio increases. To reduce the computation overhead, various efficient 'one-shot' pruning methods have been developed, but these schemes are usually unable to find winning tickets as good as IMP. This raises the question of how to close the gap between pruning accuracy and pruning efficiency? To tackle it, we pursue the algorithmic advancement of model pruning. Specifically, we formulate the pruning problem from a fresh and novel viewpoint, bi-level optimization (BLO). We show that the BLO interpretation provides a technically-grounded optimization base for an efficient implementation of the pruning-retraining learning paradigm used in IMP. We also show that the proposed bi-level optimization-oriented pruning method (termed BiP) is a special class of BLO problems with a bi-linear problem structure. By leveraging such bi-linearity, we theoretically show that BiP can be solved as easily as first-order optimization, thus inheriting the computation efficiency. Through extensive experiments on both structured and unstructured pruning with 5 model architectures and 4 data sets, we demonstrate that BiP can find better winning tickets than IMP in most cases, and is computationally as efficient as the one-shot pruning schemes, demonstrating 2-7 times speedup over IMP for the same level of model accuracy and sparsity.

Recently, long-thought reasoning models achieve strong performance on complex reasoning tasks, but often incur substantial inference overhead, making efficiency a critical concern. Our empirical analysis reveals that the benefit of using Long-CoT varies across problems: while some problems require elaborate reasoning, others show no improvement, or even degraded accuracy. This motivates adaptive reasoning strategies that tailor reasoning depth to the input. However, prior work primarily reduces redundancy within long reasoning paths, limiting exploration of more efficient strategies beyond the Long-CoT paradigm. To address this, we propose a novel two-stage framework for adaptive and efficient reasoning. First, we construct a hybrid reasoning model by merging long and short CoT models to enable diverse reasoning styles. Second, we apply bi-level preference training to guide the model to select suitable reasoning styles (group-level), and prefer concise and correct reasoning within each style group (instance-level). Experiments demonstrate that our method significantly reduces inference costs compared to other baseline approaches, while maintaining performance. Notably, on five mathematical datasets, the average length of reasoning is reduced by more than 50%, highlighting the potential of adaptive strategies to optimize reasoning efficiency in large language models. Our code is coming soon at https://github.com/StarDewXXX/AdaR1

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

Federated learning (FL) is a decentralized and privacy-preserving machine learning technique in which a group of clients collaborate with a server to learn a global model without sharing clients' data. One challenge associated with FL is statistical diversity among clients, which restricts the global model from delivering good performance on each client's task. To address this, we propose an algorithm for personalized FL (pFedMe) using Moreau envelopes as clients' regularized loss functions, which help decouple personalized model optimization from the global model learning in a bi-level problem stylized for personalized FL. Theoretically, we show that pFedMe's convergence rate is state-of-the-art: achieving quadratic speedup for strongly convex and sublinear speedup of order 2/3 for smooth nonconvex objectives. Experimentally, we verify that pFedMe excels at empirical performance compared with the vanilla FedAvg and Per-FedAvg, a meta-learning based personalized FL algorithm.

Removing unwanted concepts from large-scale text-to-image (T2I) diffusion models while maintaining their overall generative quality remains an open challenge. This difficulty is especially pronounced in emerging paradigms, such as Stable Diffusion (SD) v3 and Flux, which incorporate flow matching and transformer-based architectures. These advancements limit the transferability of existing concept-erasure techniques that were originally designed for the previous T2I paradigm (e.g., SD v1.4). In this work, we introduce EraseAnything, the first method specifically developed to address concept erasure within the latest flow-based T2I framework. We formulate concept erasure as a bi-level optimization problem, employing LoRA-based parameter tuning and an attention map regularizer to selectively suppress undesirable activations. Furthermore, we propose a self-contrastive learning strategy to ensure that removing unwanted concepts does not inadvertently harm performance on unrelated ones. Experimental results demonstrate that EraseAnything successfully fills the research gap left by earlier methods in this new T2I paradigm, achieving state-of-the-art performance across a wide range of concept erasure tasks.

The purpose of offline multi-task reinforcement learning (MTRL) is to develop a unified policy applicable to diverse tasks without the need for online environmental interaction. Recent advancements approach this through sequence modeling, leveraging the Transformer architecture's scalability and the benefits of parameter sharing to exploit task similarities. However, variations in task content and complexity pose significant challenges in policy formulation, necessitating judicious parameter sharing and management of conflicting gradients for optimal policy performance. In this work, we introduce the Harmony Multi-Task Decision Transformer (HarmoDT), a novel solution designed to identify an optimal harmony subspace of parameters for each task. We approach this as a bi-level optimization problem, employing a meta-learning framework that leverages gradient-based techniques. The upper level of this framework is dedicated to learning a task-specific mask that delineates the harmony subspace, while the inner level focuses on updating parameters to enhance the overall performance of the unified policy. Empirical evaluations on a series of benchmarks demonstrate the superiority of HarmoDT, verifying the effectiveness of our approach.

We study deceptive fairness attacks on graphs to answer the following question: How can we achieve poisoning attacks on a graph learning model to exacerbate the bias deceptively? We answer this question via a bi-level optimization problem and propose a meta learning-based framework named FATE. FATE is broadly applicable with respect to various fairness definitions and graph learning models, as well as arbitrary choices of manipulation operations. We further instantiate FATE to attack statistical parity and individual fairness on graph neural networks. We conduct extensive experimental evaluations on real-world datasets in the task of semi-supervised node classification. The experimental results demonstrate that FATE could amplify the bias of graph neural networks with or without fairness consideration while maintaining the utility on the downstream task. We hope this paper provides insights into the adversarial robustness of fair graph learning and can shed light on designing robust and fair graph learning in future studies.

3D Gaussian splatting (3DGS), known for its groundbreaking performance and efficiency, has become a dominant 3D representation and brought progress to many 3D vision tasks. However, in this work, we reveal a significant security vulnerability that has been largely overlooked in 3DGS: the computation cost of training 3DGS could be maliciously tampered by poisoning the input data. By developing an attack named Poison-splat, we reveal a novel attack surface where the adversary can poison the input images to drastically increase the computation memory and time needed for 3DGS training, pushing the algorithm towards its worst computation complexity. In extreme cases, the attack can even consume all allocable memory, leading to a Denial-of-Service (DoS) that disrupts servers, resulting in practical damages to real-world 3DGS service vendors. Such a computation cost attack is achieved by addressing a bi-level optimization problem through three tailored strategies: attack objective approximation, proxy model rendering, and optional constrained optimization. These strategies not only ensure the effectiveness of our attack but also make it difficult to defend with simple defensive measures. We hope the revelation of this novel attack surface can spark attention to this crucial yet overlooked vulnerability of 3DGS systems. Our code is available at https://github.com/jiahaolu97/poison-splat .

Merging models fine-tuned from a common, extensively pre-trained large model but specialized for different tasks has been demonstrated as a cheap and scalable strategy to construct a multi-task model that performs well across diverse tasks. Recent research, exemplified by task arithmetic, highlights that this multi-task model can be derived through arithmetic operations on task vectors. Nevertheless, current merging techniques frequently resolve potential conflicts among parameters from task-specific models by evaluating individual attributes, such as the parameters' magnitude or sign, overlooking their collective impact on the overall functionality of the model. In this work, we propose the CONtinuous relaxation of disCRETE (Concrete) subspace learning method to identify a common low-dimensional subspace and utilize its shared information to track the interference problem without sacrificing much performance. Specifically, we model the problem as a bi-level optimization problem and introduce a meta-learning framework to find the Concrete subspace mask through gradient-based techniques. At the upper level, we focus on learning a shared Concrete mask to identify the subspace, while at the inner level, model merging is performed to maximize the performance of the merged model. We conduct extensive experiments on both vision domain and language domain, and the results demonstrate the effectiveness of our method. The code is available at https://github.com/tanganke/subspace_fusion

Humanoid robots are promising to acquire various skills by imitating human behaviors. However, existing algorithms are only capable of tracking smooth, low-speed human motions, even with delicate reward and curriculum design. This paper presents a physics-based humanoid control framework, aiming to master highly-dynamic human behaviors such as Kungfu and dancing through multi-steps motion processing and adaptive motion tracking. For motion processing, we design a pipeline to extract, filter out, correct, and retarget motions, while ensuring compliance with physical constraints to the maximum extent. For motion imitation, we formulate a bi-level optimization problem to dynamically adjust the tracking accuracy tolerance based on the current tracking error, creating an adaptive curriculum mechanism. We further construct an asymmetric actor-critic framework for policy training. In experiments, we train whole-body control policies to imitate a set of highly-dynamic motions. Our method achieves significantly lower tracking errors than existing approaches and is successfully deployed on the Unitree G1 robot, demonstrating stable and expressive behaviors. The project page is https://kungfu-bot.github.io.

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem. This process is often inefficient in computation and memory usage. In this work, we propose a new optimization framework for semi-supervised learning on graphs. The proposed framework can be conveniently solved by the alternating optimization algorithms, resulting in significantly improved efficiency. Extensive experiments demonstrate that the proposed method can achieve comparable or better performance with state-of-the-art baselines while it has significantly better computation and memory efficiency.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

Multivariate Time Series (MTS) forecasting is a fundamental task with numerous real-world applications, such as transportation, climate, and epidemiology. While a myriad of powerful deep learning models have been developed for this task, few works have explored the robustness of MTS forecasting models to malicious attacks, which is crucial for their trustworthy employment in high-stake scenarios. To address this gap, we dive deep into the backdoor attacks on MTS forecasting models and propose an effective attack method named BackTime.By subtly injecting a few stealthy triggers into the MTS data, BackTime can alter the predictions of the forecasting model according to the attacker's intent. Specifically, BackTime first identifies vulnerable timestamps in the data for poisoning, and then adaptively synthesizes stealthy and effective triggers by solving a bi-level optimization problem with a GNN-based trigger generator. Extensive experiments across multiple datasets and state-of-the-art MTS forecasting models demonstrate the effectiveness, versatility, and stealthiness of attacks. The code is available at https://github.com/xiaolin-cs/BackTime.

Federated Learning (FL) is a machine learning paradigm that safeguards privacy by retaining client data on edge devices. However, optimizing FL in practice can be challenging due to the diverse and heterogeneous nature of the learning system. Though recent research has focused on improving the optimization of FL when distribution shifts occur among clients, ensuring global performance when multiple types of distribution shifts occur simultaneously among clients -- such as feature distribution shift, label distribution shift, and concept shift -- remain under-explored. In this paper, we identify the learning challenges posed by the simultaneous occurrence of diverse distribution shifts and propose a clustering principle to overcome these challenges. Through our research, we find that existing methods fail to address the clustering principle. Therefore, we propose a novel clustering algorithm framework, dubbed as FedRC, which adheres to our proposed clustering principle by incorporating a bi-level optimization problem and a novel objective function. Extensive experiments demonstrate that FedRC significantly outperforms other SOTA cluster-based FL methods. Our code is available at https://github.com/LINs-lab/FedRC.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

In this paper, we study a novel and widely existing problem in graph matching (GM), namely, Bi-level Noisy Correspondence (BNC), which refers to node-level noisy correspondence (NNC) and edge-level noisy correspondence (ENC). In brief, on the one hand, due to the poor recognizability and viewpoint differences between images, it is inevitable to inaccurately annotate some keypoints with offset and confusion, leading to the mismatch between two associated nodes, i.e., NNC. On the other hand, the noisy node-to-node correspondence will further contaminate the edge-to-edge correspondence, thus leading to ENC. For the BNC challenge, we propose a novel method termed Contrastive Matching with Momentum Distillation. Specifically, the proposed method is with a robust quadratic contrastive loss which enjoys the following merits: i) better exploring the node-to-node and edge-to-edge correlations through a GM customized quadratic contrastive learning paradigm; ii) adaptively penalizing the noisy assignments based on the confidence estimated by the momentum teacher. Extensive experiments on three real-world datasets show the robustness of our model compared with 12 competitive baselines. The code is available at https://github.com/XLearning-SCU/2023-ICCV-COMMON.

Low-rank adaptation (LoRA) is a popular method for fine-tuning large-scale pre-trained models in downstream tasks by learning low-rank incremental matrices. Though LoRA and its variants effectively reduce the number of trainable parameters compared to full fine-tuning methods, they often overfit training data, resulting in sub-optimal generalization on test data. To address this problem, we introduce BiLoRA, an overfitting-alleviating fine-tuning approach based on bi-level optimization (BLO). BiLoRA employs pseudo singular value decomposition to parameterize low-rank incremental matrices and splits the training of pseudo singular vectors and values across two different subsets of training data. This division, embedded within separate levels of the BLO framework, mitigates the risk of overfitting to a single dataset. Tested on ten datasets covering natural language understanding and generation tasks and applied to various well-known large pre-trained models, BiLoRA significantly outperforms LoRA methods and other fine-tuning approaches, with similar amounts of trainable parameters.

As the core building block of vision transformers, attention is a powerful tool to capture long-range dependency. However, such power comes at a cost: it incurs a huge computation burden and heavy memory footprint as pairwise token interaction across all spatial locations is computed. A series of works attempt to alleviate this problem by introducing handcrafted and content-agnostic sparsity into attention, such as restricting the attention operation to be inside local windows, axial stripes, or dilated windows. In contrast to these approaches, we propose a novel dynamic sparse attention via bi-level routing to enable a more flexible allocation of computations with content awareness. Specifically, for a query, irrelevant key-value pairs are first filtered out at a coarse region level, and then fine-grained token-to-token attention is applied in the union of remaining candidate regions (\ie, routed regions). We provide a simple yet effective implementation of the proposed bi-level routing attention, which utilizes the sparsity to save both computation and memory while involving only GPU-friendly dense matrix multiplications. Built with the proposed bi-level routing attention, a new general vision transformer, named BiFormer, is then presented. As BiFormer attends to a small subset of relevant tokens in a query adaptive manner without distraction from other irrelevant ones, it enjoys both good performance and high computational efficiency, especially in dense prediction tasks. Empirical results across several computer vision tasks such as image classification, object detection, and semantic segmentation verify the effectiveness of our design. Code is available at https://github.com/rayleizhu/BiFormer.

In numerous artificial intelligence applications, the collaborative efforts of multiple intelligent agents are imperative for the successful attainment of target objectives. To enhance coordination among these agents, a distributed communication framework is often employed. However, indiscriminate information sharing among all agents can be resource-intensive, and the adoption of manually pre-defined communication architectures imposes constraints on inter-agent communication, thus limiting the potential for effective collaboration. Moreover, the communication framework often remains static during inference, which may result in sustained high resource consumption, as in most cases, only key decisions necessitate information sharing among agents. In this study, we introduce a novel approach wherein we conceptualize the communication architecture among agents as a learnable graph. We formulate this problem as the task of determining the communication graph while enabling the architecture parameters to update normally, thus necessitating a bi-level optimization process. Utilizing continuous relaxation of the graph representation and incorporating attention units, our proposed approach, CommFormer, efficiently optimizes the communication graph and concurrently refines architectural parameters through gradient descent in an end-to-end manner. Additionally, we introduce a temporal gating mechanism for each agent, enabling dynamic decisions on whether to receive shared information at a given time, based on current observations, thus improving decision-making efficiency. Extensive experiments on a variety of cooperative tasks substantiate the robustness of our model across diverse cooperative scenarios, where agents are able to develop more coordinated and sophisticated strategies regardless of changes in the number of agents.

We introduce a Parametric Information Maximization (PIM) model for the Generalized Category Discovery (GCD) problem. Specifically, we propose a bi-level optimization formulation, which explores a parameterized family of objective functions, each evaluating a weighted mutual information between the features and the latent labels, subject to supervision constraints from the labeled samples. Our formulation mitigates the class-balance bias encoded in standard information maximization approaches, thereby handling effectively both short-tailed and long-tailed data sets. We report extensive experiments and comparisons demonstrating that our PIM model consistently sets new state-of-the-art performances in GCD across six different datasets, more so when dealing with challenging fine-grained problems.

Continual learning is a promising machine learning paradigm to learn new tasks while retaining previously learned knowledge over streaming training data. Till now, rehearsal-based methods, keeping a small part of data from old tasks as a memory buffer, have shown good performance in mitigating catastrophic forgetting for previously learned knowledge. However, most of these methods typically treat each new task equally, which may not adequately consider the relationship or similarity between old and new tasks. Furthermore, these methods commonly neglect sample importance in the continual training process and result in sub-optimal performance on certain tasks. To address this challenging problem, we propose Relational Experience Replay (RER), a bi-level learning framework, to adaptively tune task-wise relationships and sample importance within each task to achieve a better `stability' and `plasticity' trade-off. As such, the proposed method is capable of accumulating new knowledge while consolidating previously learned old knowledge during continual learning. Extensive experiments conducted on three publicly available datasets (i.e., CIFAR-10, CIFAR-100, and Tiny ImageNet) show that the proposed method can consistently improve the performance of all baselines and surpass current state-of-the-art methods.

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying the severe degeneration is that the GNNs are architected predicated upon the I.I.D assumptions. In such a setting, GNNs are inclined to leverage imperceptible statistical correlations subsisting in the training set to predict, albeit it is a spurious correlation. In this paper, we study the problem of the generalization ability of GNNs in Out-Of-Distribution (OOD) settings. To solve this problem, we propose the Learning to Reweight for Generalizable Graph Neural Network (L2R-GNN) to enhance the generalization ability for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. We propose a novel nonlinear graph decorrelation method, which can substantially improve the out-of-distribution generalization ability and compares favorably to previous methods in restraining the over-reduced sample size. The variables of the graph representation are clustered based on the stability of the correlation, and the graph decorrelation method learns weights to remove correlations between the variables of different clusters rather than any two variables. Besides, we interpose an efficacious stochastic algorithm upon bi-level optimization for the L2R-GNN framework, which facilitates simultaneously learning the optimal weights and GNN parameters, and avoids the overfitting problem. Experimental results show that L2R-GNN greatly outperforms baselines on various graph prediction benchmarks under distribution shifts.

Recently, polar-based representation has shown promising properties in perceptual tasks. In addition to Cartesian-based approaches, which separate point clouds unevenly, representing point clouds as polar grids has been recognized as an alternative due to (1) its advantage in robust performance under different resolutions and (2) its superiority in streaming-based approaches. However, state-of-the-art polar-based detection methods inevitably suffer from the feature distortion problem because of the non-uniform division of polar representation, resulting in a non-negligible performance gap compared to Cartesian-based approaches. To tackle this issue, we present PARTNER, a novel 3D object detector in the polar coordinate. PARTNER alleviates the dilemma of feature distortion with global representation re-alignment and facilitates the regression by introducing instance-level geometric information into the detection head. Extensive experiments show overwhelming advantages in streaming-based detection and different resolutions. Furthermore, our method outperforms the previous polar-based works with remarkable margins of 3.68% and 9.15% on Waymo and ONCE validation set, thus achieving competitive results over the state-of-the-art methods.

Evaluating language models fairly is becoming harder as static benchmarks available on the internet risk contamination by training data. This makes it unclear whether models are truly reasoning or just recalling answers. In this paper, we introduce BeyondBench, an evaluation framework that avoids this problem by using algorithmic problem generation. Unlike traditional benchmarks that risk contamination from internet-scale training data, BeyondBench creates mathematically grounded problems on the fly, ensuring each test remains fresh and uncontaminated. Our framework covers 44 algorithmic tasks with a total of 117 variations, grouped into three difficulty levels: the Easy Suite (29 tasks) for basic arithmetic and statistics, the Medium Suite (5 tasks, 49 variations) for sequence patterns and reasoning, and the Hard Suite (10 tasks, 68 variations) tackling NP-complete and constraint satisfaction problems. Each task generates problems from a combinatorial space larger than 10^15 unique instances, with solutions verified deterministically by mathematical proofs. We evaluated 101 language models, including 85 open-source and 16 closed-source models, spanning sizes from 0.5B to 141B parameters and multiple quantization schemes. Our results show consistent reasoning deficiencies across model families, with performance degrading sharply as problem complexity increases from polynomial to exponential. In our Hard Suite evaluations, models such as Gemini-2.5-pro, Llama-3.3-70B, and Qwen2.5-72B achieved average accuracies of 56.38%, 26.91%, and 33.60%, respectively. Moreover, we observe that performance drops drastically without tool usage, with GPT-5, GPT-5-mini, and GPT-5-nano showing a decline of 16.81%, 28.05%, and 47.59% accuracy on the hard suite. Our leaderboard is publicly available at https://ctrl-gaurav.github.io/BeyondBench/

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

Bilevel optimization recently has received tremendous attention due to its great success in solving important machine learning problems like meta learning, reinforcement learning, and hyperparameter optimization. Extending single-agent training on bilevel problems to the decentralized setting is a natural generalization, and there has been a flurry of work studying decentralized bilevel optimization algorithms. However, it remains unknown how to design the distributed algorithm with sample complexity and convergence rate comparable to SGD for stochastic optimization, and at the same time without directly computing the exact Hessian or Jacobian matrices. In this paper we propose such an algorithm. More specifically, we propose a novel decentralized stochastic bilevel optimization (DSBO) algorithm that only requires first order stochastic oracle, Hessian-vector product and Jacobian-vector product oracle. The sample complexity of our algorithm matches the currently best known results for DSBO, and the advantage of our algorithm is that it does not require estimating the full Hessian and Jacobian matrices, thereby having improved per-iteration complexity.

We consider stochastic unconstrained bilevel optimization problems when only the first-order gradient oracles are available. While numerous optimization methods have been proposed for tackling bilevel problems, existing methods either tend to require possibly expensive calculations regarding Hessians of lower-level objectives, or lack rigorous finite-time performance guarantees. In this work, we propose a Fully First-order Stochastic Approximation (F2SA) method, and study its non-asymptotic convergence properties. Specifically, we show that F2SA converges to an epsilon-stationary solution of the bilevel problem after epsilon^{-7/2}, epsilon^{-5/2}, and epsilon^{-3/2} iterations (each iteration using O(1) samples) when stochastic noises are in both level objectives, only in the upper-level objective, and not present (deterministic settings), respectively. We further show that if we employ momentum-assisted gradient estimators, the iteration complexities can be improved to epsilon^{-5/2}, epsilon^{-4/2}, and epsilon^{-3/2}, respectively. We demonstrate even superior practical performance of the proposed method over existing second-order based approaches on MNIST data-hypercleaning experiments.

We present a novel unified bilevel optimization-based framework, PARL, formulated to address the recently highlighted critical issue of policy alignment in reinforcement learning using utility or preference-based feedback. We identify a major gap within current algorithmic designs for solving policy alignment due to a lack of precise characterization of the dependence of the alignment objective on the data generated by policy trajectories. This shortfall contributes to the sub-optimal performance observed in contemporary algorithms. Our framework addressed these concerns by explicitly parameterizing the distribution of the upper alignment objective (reward design) by the lower optimal variable (optimal policy for the designed reward). Interestingly, from an optimization perspective, our formulation leads to a new class of stochastic bilevel problems where the stochasticity at the upper objective depends upon the lower-level variable. To demonstrate the efficacy of our formulation in resolving alignment issues in RL, we devised an algorithm named A-PARL to solve PARL problem, establishing sample complexity bounds of order O(1/T). Our empirical results substantiate that the proposed PARL can address the alignment concerns in RL by showing significant improvements (up to 63\% in terms of required samples) for policy alignment in large-scale environments of the Deepmind control suite and Meta world tasks.

Bilevel optimization enjoys a wide range of applications in hyper-parameter optimization, meta-learning and reinforcement learning. However, bilevel optimization problems are difficult to solve. Recent progress on scalable bilevel algorithms mainly focuses on bilevel optimization problems where the lower-level objective is either strongly convex or unconstrained. In this work, we tackle the bilevel problem through the lens of the penalty method. We show that under certain conditions, the penalty reformulation recovers the solutions of the original bilevel problem. Further, we propose the penalty-based bilevel gradient descent (PBGD) algorithm and establish its finite-time convergence for the constrained bilevel problem without lower-level strong convexity. Experiments showcase the efficiency of the proposed PBGD algorithm.

Bilevel optimization has shown its utility across various machine learning settings, yet most algorithms in practice require second-order information, making it challenging to scale them up. Only recently, a paradigm of first-order algorithms has emerged in the theoretical literature, capable of effectively addressing bilevel optimization problems. Nevertheless, the practical efficiency of this paradigm remains unverified, particularly in the context of large language models (LLMs). This paper introduces the first scalable instantiation of this paradigm called ScaleBiO, focusing on bilevel optimization for large-scale LLM data reweighting. By combining with a recently proposed memory-efficient training technique called LISA, our novel algorithm allows the paradigm to scale to sim30B-sized LLMs on 8timesH100 GPUs, marking the first successful application of bilevel optimization under practical scenarios for large-sized LLMs. Empirically, extensive experiments on data reweighting verify the effectiveness of ScaleBiO for different-scaled models, including Llama-3-8B, Gemma-2-9B, Qwen-2-7B, and Qwen-2.5-32B, where bilevel optimization succeeds in instruction-following and math reasoning tasks, outperforming several popular baselines, including uniform sampling, influence-aware data filtering, and reference-model-based sampling methods. Theoretically, ScaleBiO ensures the optimality of the learned data weights, along with a convergence guarantee matching the conventional first-order bilevel optimization paradigm on smooth and strongly convex objectives.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve mgg 1 lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling I blocks and sampling B samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of O(mepsilon^{-3I(I<m)}{II} + mepsilon^{-3}{IB}) for finding an epsilon-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.

Large Reasoning Models (LRMs) have demonstrated remarkable problem-solving abilities in mathematics, as evaluated by existing benchmarks exclusively on well-defined problems. However, such evaluation setup constitutes a critical gap, since a genuine intelligent agent should not only solve problems (as a math quiz solver), but also be able~to ask for information when the problems lack sufficient information, enabling proactivity in responding users' requests. To bridge such gap, we proposes a new dataset consisting of two types of incomplete problems with diverse contexts. Based on the dataset, our systematical evaluation of LRMs reveals their inability in proactively asking for information. In addition, we uncover the behaviors related to overthinking and hallucination of LRMs, and highlight the potential and challenges of supervised fine-tuning in learning such ability. We hope to provide new insights in developing LRMs with genuine intelligence, rather than just solving problems.

Business Intelligence (BI) is crucial in modern enterprises and billion-dollar business. Traditionally, technical experts like database administrators would manually prepare BI-models (e.g., in star or snowflake schemas) that join tables in data warehouses, before less-technical business users can run analytics using end-user dashboarding tools. However, the popularity of self-service BI (e.g., Tableau and Power-BI) in recent years creates a strong demand for less technical end-users to build BI-models themselves. We develop an Auto-BI system that can accurately predict BI models given a set of input tables, using a principled graph-based optimization problem we propose called k-Min-Cost-Arborescence (k-MCA), which holistically considers both local join prediction and global schema-graph structures, leveraging a graph-theoretical structure called arborescence. While we prove k-MCA is intractable and inapproximate in general, we develop novel algorithms that can solve k-MCA optimally, which is shown to be efficient in practice with sub-second latency and can scale to the largest BI-models we encounter (with close to 100 tables). Auto-BI is rigorously evaluated on a unique dataset with over 100K real BI models we harvested, as well as on 4 popular TPC benchmarks. It is shown to be both efficient and accurate, achieving over 0.9 F1-score on both real and synthetic benchmarks.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

Bilevel optimization is an important formulation for many machine learning problems. Current bilevel optimization algorithms assume that the gradient of the upper-level function is Lipschitz. However, recent studies reveal that certain neural networks such as recurrent neural networks (RNNs) and long-short-term memory networks (LSTMs) exhibit potential unbounded smoothness, rendering conventional bilevel optimization algorithms unsuitable. In this paper, we design a new bilevel optimization algorithm, namely BO-REP, to address this challenge. This algorithm updates the upper-level variable using normalized momentum and incorporates two novel techniques for updating the lower-level variable: initialization refinement and periodic updates. Specifically, once the upper-level variable is initialized, a subroutine is invoked to obtain a refined estimate of the corresponding optimal lower-level variable, and the lower-level variable is updated only after every specific period instead of each iteration. When the upper-level problem is nonconvex and unbounded smooth, and the lower-level problem is strongly convex, we prove that our algorithm requires mathcal{O}(1/epsilon^4) iterations to find an epsilon-stationary point in the stochastic setting, where each iteration involves calling a stochastic gradient or Hessian-vector product oracle. Notably, this result matches the state-of-the-art complexity results under the bounded smoothness setting and without mean-squared smoothness of the stochastic gradient, up to logarithmic factors. Our proof relies on novel technical lemmas for the periodically updated lower-level variable, which are of independent interest. Our experiments on hyper-representation learning, hyperparameter optimization, and data hyper-cleaning for text classification tasks demonstrate the effectiveness of our proposed algorithm.

In this paper, we develop an approximation scheme for solving bilevel programs with equilibrium constraints, which are generally difficult to solve. Among other things, calculating the first-order derivative in such a problem requires differentiation across the hierarchy, which is computationally intensive, if not prohibitive. To bypass the hierarchy, we propose to bound such bilevel programs, equivalent to multiple-followers Stackelberg games, with two new hierarchy-free problems: a T-step Cournot game and a T-step monopoly model. Since they are standard equilibrium or optimization problems, both can be efficiently solved via first-order methods. Importantly, we show that the bounds provided by these problems -- the upper bound by the T-step Cournot game and the lower bound by the T-step monopoly model -- can be made arbitrarily tight by increasing the step parameter T for a wide range of problems. We prove that a small T usually suffices under appropriate conditions to reach an approximation acceptable for most practical purposes. Eventually, the analytical insights are highlighted through numerical examples.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

Bilevel optimization has been recently revisited for designing and analyzing algorithms in hyperparameter tuning and meta learning tasks. However, due to its nested structure, evaluating exact gradients for high-dimensional problems is computationally challenging. One heuristic to circumvent this difficulty is to use the approximate gradient given by performing truncated back-propagation through the iterative optimization procedure that solves the lower-level problem. Although promising empirical performance has been reported, its theoretical properties are still unclear. In this paper, we analyze the properties of this family of approximate gradients and establish sufficient conditions for convergence. We validate this on several hyperparameter tuning and meta learning tasks. We find that optimization with the approximate gradient computed using few-step back-propagation often performs comparably to optimization with the exact gradient, while requiring far less memory and half the computation time.

Various tasks in data science are modeled utilizing the variational regularization approach, where manually selecting regularization parameters presents a challenge. The difficulty gets exacerbated when employing regularizers involving a large number of hyperparameters. To overcome this challenge, bilevel learning can be employed to learn such parameters from data. However, neither exact function values nor exact gradients with respect to the hyperparameters are attainable, necessitating methods that only rely on inexact evaluation of such quantities. State-of-the-art inexact gradient-based methods a priori select a sequence of the required accuracies and cannot identify an appropriate step size since the Lipschitz constant of the hypergradient is unknown. In this work, we propose an algorithm with backtracking line search that only relies on inexact function evaluations and hypergradients and show convergence to a stationary point. Furthermore, the proposed algorithm determines the required accuracy dynamically rather than manually selected before running it. Our numerical experiments demonstrate the efficiency and feasibility of our approach for hyperparameter estimation on a range of relevant problems in imaging and data science such as total variation and field of experts denoising and multinomial logistic regression. Particularly, the results show that the algorithm is robust to its own hyperparameters such as the initial accuracies and step size.

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the automated resolution of mathematical problems. However, the landscape of mathematical problem types is vast and varied, with LLM-oriented techniques undergoing evaluation across diverse datasets and settings. This diversity makes it challenging to discern the true advancements and obstacles within this burgeoning field. This survey endeavors to address four pivotal dimensions: i) a comprehensive exploration of the various mathematical problems and their corresponding datasets that have been investigated; ii) an examination of the spectrum of LLM-oriented techniques that have been proposed for mathematical problem-solving; iii) an overview of factors and concerns affecting LLMs in solving math; and iv) an elucidation of the persisting challenges within this domain. To the best of our knowledge, this survey stands as one of the first extensive examinations of the landscape of LLMs in the realm of mathematics, providing a holistic perspective on the current state, accomplishments, and future challenges in this rapidly evolving field.

Research has a long history of discussing what is superior in predicting certain outcomes: statistical methods or the human brain. This debate has repeatedly been sparked off by the remarkable technological advances in the field of artificial intelligence (AI), such as solving tasks like object and speech recognition, achieving significant improvements in accuracy through deep-learning algorithms (Goodfellow et al. 2016), or combining various methods of computational intelligence, such as fuzzy logic, genetic algorithms, and case-based reasoning (Medsker 2012). One of the implicit promises that underlie these advancements is that machines will 1 day be capable of performing complex tasks or may even supersede humans in performing these tasks. This triggers new heated debates of when machines will ultimately replace humans (McAfee and Brynjolfsson 2017). While previous research has proved that AI performs well in some clearly defined tasks such as playing chess, playing Go or identifying objects on images, it is doubted that the development of an artificial general intelligence (AGI) which is able to solve multiple tasks at the same time can be achieved in the near future (e.g., Russell and Norvig 2016). Moreover, the use of AI to solve complex business problems in organizational contexts occurs scarcely, and applications for AI that solve complex problems remain mainly in laboratory settings instead of being implemented in practice. Since the road to AGI is still a long one, we argue that the most likely paradigm for the division of labor between humans and machines in the next decades is Hybrid Intelligence. This concept aims at using the complementary strengths of human intelligence and AI, so that they can perform better than each of the two could separately (e.g., Kamar 2016).

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

The growing importance of understanding and addressing algorithmic bias in artificial intelligence (AI) has led to a surge in research on AI fairness, which often assumes that the underlying data is independent and identically distributed (IID). However, real-world data frequently exists in non-IID graph structures that capture connections among individual units. To effectively mitigate bias in AI systems, it is essential to bridge the gap between traditional fairness literature, designed for IID data, and the prevalence of non-IID graph data. This survey reviews recent advancements in fairness amidst non-IID graph data, including the newly introduced fair graph generation and the commonly studied fair graph classification. In addition, available datasets and evaluation metrics for future research are identified, the limitations of existing work are highlighted, and promising future directions are proposed.

Large language models (LLMs) have demonstrated impressive performance on reasoning tasks, including mathematical reasoning. However, the current evaluation mostly focuses on carefully constructed benchmarks and neglects the consideration of real-world reasoning problems that present missing or contradictory conditions, known as ill-defined problems. To further study this problem, we develop a largescale benchmark called Problems with Missing and Contradictory conditions ( PMC) containing over 5,000 validated ill-defined mathematical problems. Our preliminary experiments through PMC reveal two challenges about existing methods: (1) traditional methods exhibit a trade-off between solving accuracy and rejection capabilities, and (2) formal methods struggle with modeling complex problems. To address these challenges, We develop Variable-Constraint Search (VCSEARCH), a trainingfree framework that leverages formal language to detect ill-defined problems, where a variableconstraint pair search strategy is incorporated to improve the modeling capability of formal language. Extensive experiments demonstrate that VCSEARCH improves the accuracy of identifying unsolvable problems by at least 12% across different LLMs, thus achieving stronger robust mathematical reasoning ability.

In recent years, the rapid development of large reasoning models has resulted in the saturation of existing benchmarks for evaluating mathematical reasoning, highlighting the urgent need for more challenging and rigorous evaluation frameworks. To address this gap, we introduce OlymMATH, a novel Olympiad-level mathematical benchmark, designed to rigorously test the complex reasoning capabilities of LLMs. OlymMATH features 200 meticulously curated problems, each manually verified and available in parallel English and Chinese versions. The problems are systematically organized into two distinct difficulty tiers: (1) AIME-level problems (easy) that establish a baseline for mathematical reasoning assessment, and (2) significantly more challenging problems (hard) designed to push the boundaries of current state-of-the-art models. In our benchmark, these problems span four core mathematical fields, each including a verifiable numerical solution to enable objective, rule-based evaluation. Empirical results underscore the significant challenge presented by OlymMATH, with state-of-the-art models including DeepSeek-R1 and OpenAI's o3-mini demonstrating notably limited accuracy on the hard subset. Furthermore, the benchmark facilitates comprehensive bilingual assessment of mathematical reasoning abilities-a critical dimension that remains largely unaddressed in mainstream mathematical reasoning benchmarks. We release the OlymMATH benchmark at the STILL project: https://github.com/RUCAIBox/Slow_Thinking_with_LLMs.

What are the root causes of hallucinations in large language models (LLMs)? We use Communication Complexity to prove that the Transformer layer is incapable of composing functions (e.g., identify a grandparent of a person in a genealogy) if the domains of the functions are large enough; we show through examples that this inability is already empirically present when the domains are quite small. We also point out that several mathematical tasks that are at the core of the so-called compositional tasks thought to be hard for LLMs are unlikely to be solvable by Transformers, for large enough instances and assuming that certain well accepted conjectures in the field of Computational Complexity are true.

The problem of designing NLP solvers for math word problems (MWP) has seen sustained research activity and steady gains in the test accuracy. Since existing solvers achieve high performance on the benchmark datasets for elementary level MWPs containing one-unknown arithmetic word problems, such problems are often considered "solved" with the bulk of research attention moving to more complex MWPs. In this paper, we restrict our attention to English MWPs taught in grades four and lower. We provide strong evidence that the existing MWP solvers rely on shallow heuristics to achieve high performance on the benchmark datasets. To this end, we show that MWP solvers that do not have access to the question asked in the MWP can still solve a large fraction of MWPs. Similarly, models that treat MWPs as bag-of-words can also achieve surprisingly high accuracy. Further, we introduce a challenge dataset, SVAMP, created by applying carefully chosen variations over examples sampled from existing datasets. The best accuracy achieved by state-of-the-art models is substantially lower on SVAMP, thus showing that much remains to be done even for the simplest of the MWPs.

Chain of Thought prompting strategy has enhanced the performance of Large Language Models (LLMs) across various NLP tasks. However, it still has shortcomings when dealing with complex reasoning tasks, following~cot_wei, including understanding errors, calculation errors and process errors (e.g. missing-step and hallucinations). Subsequently, Our in-depth analysis of various error types has found that deeply understanding the whole problem is critical in addressing complicated reasoning tasks. In this paper, we proposed a novel prompt strategy called Deeply Understanding the Problems (DUP) prompting, inspired by how humans solve complex reasoning problems, designed to enhance the comprehensive understanding of problems by LLMs. It consists of three stages: 1) extract the core question; 2) find out problem-solving information based on the core question; 3) generate and extract answers by LLMs. We evaluate the performance of DUP prompting on ten diverse reasoning datasets. Experimental results suggest that DUP prompting significantly outperforms Zero-Shot CoT ~kojima2022large across all datasets. Notably, DUP achieves state-of-the-art on SVAMP (90.4\% to 94.2\%) and GSM8K (94.6\% to 97.1\%).

Coding problems are problems that require a solution in the form of a computer program. Coding problems are popular among students and professionals as it enhances their skills and career opportunities. An AI system that would help those who practice coding problems would be highly useful and there is a huge potential for such a system. In this work, we propose a model which uses stacking of hyperparameter tuned boosting models to achieve impressive metric scores of 77.8% accuracy and 0.815 PR-AUC on the dataset that was scraped from Codeforces and Leetcode. We open source the dataset and the models developed for this work.

Clustering is a fundamental building block of modern statistical analysis pipelines. Fair clustering has seen much attention from the machine learning community in recent years. We are some of the first to study fairness in the context of hierarchical clustering, after the results of Ahmadian et al. from NeurIPS in 2020. We evaluate our results using Dasgupta's cost function, perhaps one of the most prevalent theoretical metrics for hierarchical clustering evaluation. Our work vastly improves the previous O(n^{5/6}polylog(n)) fair approximation for cost to a near polylogarithmic O(n^delta polylog(n)) fair approximation for any constant deltain(0,1). This result establishes a cost-fairness tradeoff and extends to broader fairness constraints than the previous work. We also show how to alter existing hierarchical clusterings to guarantee fairness and cluster balance across any level in the hierarchy.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Combinatorial optimization finds an optimal solution within a discrete set of variables and constraints. The field has seen tremendous progress both in research and industry. With the success of deep learning in the past decade, a recent trend in combinatorial optimization has been to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning (ML) models. In this paper, we investigate two essential aspects of machine learning algorithms for combinatorial optimization: temporal characteristics and attention. We argue that for the task of variable selection in the branch-and-bound (B&B) algorithm, incorporating the temporal information as well as the bipartite graph attention improves the solver's performance. We support our claims with intuitions and numerical results over several standard datasets used in the literature and competitions. Code is available at: https://developer.huaweicloud.com/develop/aigallery/notebook/detail?id=047c6cf2-8463-40d7-b92f-7b2ca998e935

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

We identify five selected open problems in the theory of quantum information, which are rather simple to formulate, were well-studied in the literature, but are technically not easy. As these problems enjoy diverse mathematical connections, they offer a huge breakthrough potential. The first four concern existence of certain objects relevant for quantum information, namely a family of symmetric informationally complete generalized measurements in an infinite sequence of dimensions, mutually unbiased bases in dimension six, absolutely maximally entangled states for four subsystems with six levels each and bound entangled states with negative partial transpose. The fifth problem requires checking whether a certain state of a two-ququart system is 2-copy distillable. An award for solving each of them is announced.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

Machine learning models are increasingly used to automate decisions that affect humans - deciding who should receive a loan, a job interview, or a social service. In such applications, a person should have the ability to change the decision of a model. When a person is denied a loan by a credit score, for example, they should be able to alter its input variables in a way that guarantees approval. Otherwise, they will be denied the loan as long as the model is deployed. More importantly, they will lack the ability to influence a decision that affects their livelihood. In this paper, we frame these issues in terms of recourse, which we define as the ability of a person to change the decision of a model by altering actionable input variables (e.g., income vs. age or marital status). We present integer programming tools to ensure recourse in linear classification problems without interfering in model development. We demonstrate how our tools can inform stakeholders through experiments on credit scoring problems. Our results show that recourse can be significantly affected by standard practices in model development, and motivate the need to evaluate recourse in practice.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

Experts advising decision-makers are likely to display expertise which varies as a function of the problem instance. In practice, this may lead to sub-optimal or discriminatory decisions against minority cases. In this work we model such changes in depth and breadth of knowledge as a partitioning of the problem space into regions of differing expertise. We provide here new algorithms that explicitly consider and adapt to the relationship between problem instances and experts' knowledge. We first propose and highlight the drawbacks of a naive approach based on nearest neighbor queries. To address these drawbacks we then introduce a novel algorithm - expertise trees - that constructs decision trees enabling the learner to select appropriate models. We provide theoretical insights and empirically validate the improved performance of our novel approach on a range of problems for which existing methods proved to be inadequate.

The ability to solve problems is a hallmark of intelligence and has been an enduring goal in AI. AI systems that can create programs as solutions to problems or assist developers in writing programs can increase productivity and make programming more accessible. Recently, pre-trained large language models have shown impressive abilities in generating new codes from natural language descriptions, repairing buggy codes, translating codes between languages, and retrieving relevant code segments. However, the evaluation of these models has often been performed in a scattered way on only one or two specific tasks, in a few languages, at a partial granularity (e.g., function) level and in many cases without proper training data. Even more concerning is that in most cases the evaluation of generated codes has been done in terms of mere lexical overlap rather than actual execution whereas semantic similarity (or equivalence) of two code segments depends only on their ``execution similarity'', i.e., being able to get the same output for a given input.

Mathematical understanding and reasoning are crucial tasks for assessing the capabilities of artificial intelligence (AI). However, existing benchmarks either require just a few steps of reasoning, or only contain a small amount of data in one specific topic, making it hard to analyse AI's behaviour with reference to different problems within a specific topic in detail. In this work, we propose Conic10K, a challenging math problem dataset on conic sections in Chinese senior high school education. Our dataset contains various problems with different reasoning depths, while only the knowledge from conic sections is required. Since the dataset only involves a narrow range of knowledge, it is easy to separately analyse the knowledge a model possesses and the reasoning ability it has. For each problem, we provide a high-quality formal representation, the reasoning steps, and the final solution. Experiments show that existing large language models, including GPT-4, exhibit weak performance on complex reasoning. We hope that our findings could inspire more advanced techniques for precise natural language understanding and reasoning. Our dataset and codes are available at https://github.com/whyNLP/Conic10K.

As Large Language Models become more ubiquitous across domains, it becomes important to examine their inherent limitations critically. This work argues that hallucinations in language models are not just occasional errors but an inevitable feature of these systems. We demonstrate that hallucinations stem from the fundamental mathematical and logical structure of LLMs. It is, therefore, impossible to eliminate them through architectural improvements, dataset enhancements, or fact-checking mechanisms. Our analysis draws on computational theory and Godel's First Incompleteness Theorem, which references the undecidability of problems like the Halting, Emptiness, and Acceptance Problems. We demonstrate that every stage of the LLM process-from training data compilation to fact retrieval, intent classification, and text generation-will have a non-zero probability of producing hallucinations. This work introduces the concept of Structural Hallucination as an intrinsic nature of these systems. By establishing the mathematical certainty of hallucinations, we challenge the prevailing notion that they can be fully mitigated.

We present ASDiv (Academia Sinica Diverse MWP Dataset), a diverse (in terms of both language patterns and problem types) English math word problem (MWP) corpus for evaluating the capability of various MWP solvers. Existing MWP corpora for studying AI progress remain limited either in language usage patterns or in problem types. We thus present a new English MWP corpus with 2,305 MWPs that cover more text patterns and most problem types taught in elementary school. Each MWP is annotated with its problem type and grade level (for indicating the level of difficulty). Furthermore, we propose a metric to measure the lexicon usage diversity of a given MWP corpus, and demonstrate that ASDiv is more diverse than existing corpora. Experiments show that our proposed corpus reflects the true capability of MWP solvers more faithfully.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.

We present a new approach for mitigating unfairness in learned classifiers. In particular, we focus on binary classification tasks over individuals from two populations, where, as our criterion for fairness, we wish to achieve similar false positive rates in both populations, and similar false negative rates in both populations. As a proof of concept, we implement our approach and empirically evaluate its ability to achieve both fairness and accuracy, using datasets from the fields of criminal risk assessment, credit, lending, and college admissions.

Abstract visual reasoning (AVR) encompasses a suite of tasks whose solving requires the ability to discover common concepts underlying the set of pictures through an analogy-making process, similarly to human IQ tests. Bongard Problems (BPs), proposed in 1968, constitute a fundamental challenge in this domain mainly due to their requirement to combine visual reasoning and verbal description. This work poses a question whether multimodal large language models (MLLMs) inherently designed to combine vision and language are capable of tackling BPs. To this end, we propose a set of diverse MLLM-suited strategies to tackle BPs and examine four popular proprietary MLLMs: GPT-4o, GPT-4 Turbo, Gemini 1.5 Pro, and Claude 3.5 Sonnet, and four open models: InternVL2-8B, LLaVa-1.6 Mistral-7B, Phi-3.5-Vision, and Pixtral 12B. The above MLLMs are compared on three BP datasets: a set of original BP instances relying on synthetic, geometry-based images and two recent datasets based on real-world images, i.e., Bongard-HOI and Bongard-OpenWorld. The experiments reveal significant limitations of MLLMs in solving BPs. In particular, the models struggle to solve the classical set of synthetic BPs, despite their visual simplicity. Though their performance ameliorates on real-world concepts expressed in Bongard-HOI and Bongard-OpenWorld, the models still have difficulty in utilizing new information to improve their predictions, as well as utilizing a dialog context window effectively. To capture the reasons of performance discrepancy between synthetic and real-world AVR domains, we propose Bongard-RWR, a new BP dataset consisting of real-world images that translates concepts from hand-crafted synthetic BPs to real-world concepts. The MLLMs' results on Bongard-RWR suggest that their poor performance on classical BPs is not due to domain specificity but rather reflects their general AVR limitations.

BEIR is a benchmark dataset for zero-shot evaluation of information retrieval models across 18 different domain/task combinations. In recent years, we have witnessed the growing popularity of a representation learning approach to building retrieval models, typically using pretrained transformers in a supervised setting. This naturally begs the question: How effective are these models when presented with queries and documents that differ from the training data? Examples include searching in different domains (e.g., medical or legal text) and with different types of queries (e.g., keywords vs. well-formed questions). While BEIR was designed to answer these questions, our work addresses two shortcomings that prevent the benchmark from achieving its full potential: First, the sophistication of modern neural methods and the complexity of current software infrastructure create barriers to entry for newcomers. To this end, we provide reproducible reference implementations that cover the two main classes of approaches: learned dense and sparse models. Second, there does not exist a single authoritative nexus for reporting the effectiveness of different models on BEIR, which has led to difficulty in comparing different methods. To remedy this, we present an official self-service BEIR leaderboard that provides fair and consistent comparisons of retrieval models. By addressing both shortcomings, our work facilitates future explorations in a range of interesting research questions that BEIR enables.

Large Language Models (LLMs) have demonstrated remarkable performance across multiple tasks through in-context learning. For complex reasoning tasks that require step-by-step thinking, Chain-of-Thought (CoT) prompting has given impressive results, especially when combined with self-consistency. Nonetheless, some tasks remain particularly difficult for LLMs to solve. Tree of Thoughts (ToT) and Graph of Thoughts (GoT) emerged as alternatives, dividing the complex problem into paths of subproblems. In this paper, we propose Tree of Problems (ToP), a simpler version of ToT, which we hypothesise can work better for complex tasks that can be divided into identical subtasks. Our empirical results show that our approach outperforms ToT and GoT, and in addition performs better than CoT on complex reasoning tasks. All code for this paper is publicly available here: https://github.com/ArmelRandy/tree-of-problems.

This note describes the development of an exact solver for Minimal Directed Feedback Vertex Set as part of the PACE 2022 competition. The solver is powered largely by aggressively trying to reduce the DFVS problem to a Minimal Cover problem, and applying reduction rules adapted from Vertex Cover literature. The resulting problem is solved as an Integer Linear Program (ILP) using SCIP. The resulting solver performed the second-best in the competition, although a bug at submission time disqualified it. As an additional note, we describe a new vertex cover reduction generalizing the Desk reduction rule.

The Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition aims to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. On the dual task, we design models to make branching decisions to promote the dual bound increase faster. We propose a knowledge inheritance method to generalize knowledge of different models from the dataset aggregation process, named KIDA. Our improvement overcomes some defects of the baseline graph-neural-networks-based methods. Further, we won the 1st Place on the dual task. We hope this report can provide useful experience for developers and researchers. The code is available at https://github.com/megvii-research/NeurIPS2021-ML4CO-KIDA.

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

We present BIS Reasoning 1.0, the first large-scale Japanese dataset of syllogistic reasoning problems explicitly designed to evaluate belief-inconsistent reasoning in large language models (LLMs). Unlike prior datasets such as NeuBAROCO and JFLD, which focus on general or belief-aligned reasoning, BIS Reasoning 1.0 introduces logically valid yet belief-inconsistent syllogisms to uncover reasoning biases in LLMs trained on human-aligned corpora. We benchmark state-of-the-art models - including GPT models, Claude models, and leading Japanese LLMs - revealing significant variance in performance, with GPT-4o achieving 79.54% accuracy. Our analysis identifies critical weaknesses in current LLMs when handling logically valid but belief-conflicting inputs. These findings have important implications for deploying LLMs in high-stakes domains such as law, healthcare, and scientific literature, where truth must override intuitive belief to ensure integrity and safety.

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

Business intelligence (BI) transforms large volumes of data within modern organizations into actionable insights for informed decision-making. Recently, large language model (LLM)-based agents have streamlined the BI workflow by automatically performing task planning, reasoning, and actions in executable environments based on natural language (NL) queries. However, existing approaches primarily focus on individual BI tasks such as NL2SQL and NL2VIS. The fragmentation of tasks across different data roles and tools lead to inefficiencies and potential errors due to the iterative and collaborative nature of BI. In this paper, we introduce DataLab, a unified BI platform that integrates a one-stop LLM-based agent framework with an augmented computational notebook interface. DataLab supports a wide range of BI tasks for different data roles by seamlessly combining LLM assistance with user customization within a single environment. To achieve this unification, we design a domain knowledge incorporation module tailored for enterprise-specific BI tasks, an inter-agent communication mechanism to facilitate information sharing across the BI workflow, and a cell-based context management strategy to enhance context utilization efficiency in BI notebooks. Extensive experiments demonstrate that DataLab achieves state-of-the-art performance on various BI tasks across popular research benchmarks. Moreover, DataLab maintains high effectiveness and efficiency on real-world datasets from Tencent, achieving up to a 58.58% increase in accuracy and a 61.65% reduction in token cost on enterprise-specific BI tasks.

Data profiling is an essential process in modern data-driven industries. One of its critical components is the discovery and validation of complex statistics, including functional dependencies, data constraints, association rules, and others. However, most existing data profiling systems that focus on complex statistics do not provide proper integration with the tools used by contemporary data scientists. This creates a significant barrier to the adoption of these tools in the industry. Moreover, existing systems were not created with industrial-grade workloads in mind. Finally, they do not aim to provide descriptive explanations, i.e. why a given pattern is not found. It is a significant issue as it is essential to understand the underlying reasons for a specific pattern's absence to make informed decisions based on the data. Because of that, these patterns are effectively rest in thin air: their application scope is rather limited, they are rarely used by the broader public. At the same time, as we are going to demonstrate in this presentation, complex statistics can be efficiently used to solve many classic data quality problems. Desbordante is an open-source data profiler that aims to close this gap. It is built with emphasis on industrial application: it is efficient, scalable, resilient to crashes, and provides explanations. Furthermore, it provides seamless Python integration by offloading various costly operations to the C++ core, not only mining. In this demonstration, we show several scenarios that allow end users to solve different data quality problems. Namely, we showcase typo detection, data deduplication, and data anomaly detection scenarios.

We present Hermes 4, a family of hybrid reasoning models that combine structured, multi-turn reasoning with broad instruction-following ability. We describe the challenges encountered during data curation, synthesis, training, and evaluation, and outline the solutions employed to address these challenges at scale. We comprehensively evaluate across mathematical reasoning, coding, knowledge, comprehension, and alignment benchmarks, and we report both quantitative performance and qualitative behavioral analysis. To support open research, all model weights are published publicly at https://huggingface.co/collections/NousResearch/hermes-4-collection-68a731bfd452e20816725728

With the widespread use of AI systems and applications in our everyday lives, it is important to take fairness issues into consideration while designing and engineering these types of systems. Such systems can be used in many sensitive environments to make important and life-changing decisions; thus, it is crucial to ensure that the decisions do not reflect discriminatory behavior toward certain groups or populations. We have recently seen work in machine learning, natural language processing, and deep learning that addresses such challenges in different subdomains. With the commercialization of these systems, researchers are becoming aware of the biases that these applications can contain and have attempted to address them. In this survey we investigated different real-world applications that have shown biases in various ways, and we listed different sources of biases that can affect AI applications. We then created a taxonomy for fairness definitions that machine learning researchers have defined in order to avoid the existing bias in AI systems. In addition to that, we examined different domains and subdomains in AI showing what researchers have observed with regard to unfair outcomes in the state-of-the-art methods and how they have tried to address them. There are still many future directions and solutions that can be taken to mitigate the problem of bias in AI systems. We are hoping that this survey will motivate researchers to tackle these issues in the near future by observing existing work in their respective fields.

Recent advancements in large language models (LLMs) have led to significant breakthroughs in mathematical reasoning capabilities. However, existing benchmarks like GSM8K or MATH are now being solved with high accuracy (e.g., OpenAI o1 achieves 94.8% on MATH dataset), indicating their inadequacy for truly challenging these models. To bridge this gap, we propose a comprehensive and challenging benchmark specifically designed to assess LLMs' mathematical reasoning at the Olympiad level. Unlike existing Olympiad-related benchmarks, our dataset focuses exclusively on mathematics and comprises a vast collection of 4428 competition-level problems with rigorous human annotation. These problems are meticulously categorized into over 33 sub-domains and span more than 10 distinct difficulty levels, enabling a holistic assessment of model performance in Olympiad-mathematical reasoning. Furthermore, we conducted an in-depth analysis based on this benchmark. Our experimental results show that even the most advanced models, OpenAI o1-mini and OpenAI o1-preview, struggle with highly challenging Olympiad-level problems, with 60.54% and 52.55% accuracy, highlighting significant challenges in Olympiad-level mathematical reasoning.

Recent advances in large language models (LLMs) have demonstrated notable progress on many mathematical benchmarks. However, most of these benchmarks only feature problems grounded in junior and senior high school subjects, contain only multiple-choice questions, and are confined to a limited scope of elementary arithmetic operations. To address these issues, this paper introduces an expansive benchmark suite SciBench that aims to systematically examine the reasoning capabilities required for complex scientific problem solving. SciBench contains two carefully curated datasets: an open set featuring a range of collegiate-level scientific problems drawn from mathematics, chemistry, and physics textbooks, and a closed set comprising problems from undergraduate-level exams in computer science and mathematics. Based on the two datasets, we conduct an in-depth benchmark study of two representative LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with an overall score of merely 35.80%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms others and some strategies that demonstrate improvements in certain problem-solving skills result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

The term "generative AI" refers to computational techniques that are capable of generating seemingly new, meaningful content such as text, images, or audio from training data. The widespread diffusion of this technology with examples such as Dall-E 2, GPT-4, and Copilot is currently revolutionizing the way we work and communicate with each other. In this article, we provide a conceptualization of generative AI as an entity in socio-technical systems and provide examples of models, systems, and applications. Based on that, we introduce limitations of current generative AI and provide an agenda for Business & Information Systems Engineering (BISE) research. Different from previous works, we focus on generative AI in the context of information systems, and, to this end, we discuss several opportunities and challenges that are unique to the BISE community and make suggestions for impactful directions for BISE research.

Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This begs the question: Are these errors incidental, or do they signal more substantial limitations? In an attempt to demystify Transformers, we investigate the limits of these models across three representative compositional tasks -- multi-digit multiplication, logic grid puzzles, and a classic dynamic programming problem. These tasks require breaking problems down into sub-steps and synthesizing these steps into a precise answer. We formulate compositional tasks as computation graphs to systematically quantify the level of complexity, and break down reasoning steps into intermediate sub-procedures. Our empirical findings suggest that Transformers solve compositional tasks by reducing multi-step compositional reasoning into linearized subgraph matching, without necessarily developing systematic problem-solving skills. To round off our empirical study, we provide theoretical arguments on abstract multi-step reasoning problems that highlight how Transformers' performance will rapidly decay with increased task complexity.

This paper presents an in-depth exploration of Meta Prompting, a novel technique that revolutionizes the way large language models (LLMs), multi-modal foundation models, and AI systems approach problem-solving and data interpretation. Meta Prompting, rooted in type theory and category theory, prioritizes the structure and syntax of information, providing a unique framework that transcends traditional content-focused methods. We delve into the formal definitions of Meta Prompting, contrasting it with Few-Shot Prompting, and highlight its applicability and superiority in various AI applications. Key to this exploration is the expansion of Meta Prompting into the realm of complex reasoning. Here, we demonstrate how this technique adeptly breaks down intricate problems into manageable sub-problems, facilitating a step-by-step, detailed approach to problem-solving. This method proves especially advantageous in terms of token efficiency and offering a fair comparison in problem-solving scenarios, standing out against few-shot example approaches. Furthermore, the paper breaks new ground by extending Meta Prompting into multi-modal foundation model settings. This extension addresses the integration of diverse data types, such as images, audio, and video, within the structured framework of Meta Prompting, highlighting both the challenges and the vast potential of this approach in handling complex, multi-faceted data (The code is available at https://github.com/meta-prompting/meta-prompting).

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

In the last years many accurate decision support systems have been constructed as black boxes, that is as systems that hide their internal logic to the user. This lack of explanation constitutes both a practical and an ethical issue. The literature reports many approaches aimed at overcoming this crucial weakness sometimes at the cost of scarifying accuracy for interpretability. The applications in which black box decision systems can be used are various, and each approach is typically developed to provide a solution for a specific problem and, as a consequence, delineating explicitly or implicitly its own definition of interpretability and explanation. The aim of this paper is to provide a classification of the main problems addressed in the literature with respect to the notion of explanation and the type of black box system. Given a problem definition, a black box type, and a desired explanation this survey should help the researcher to find the proposals more useful for his own work. The proposed classification of approaches to open black box models should also be useful for putting the many research open questions in perspective.

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

In this paper, we propose a new mixed-integer linear programming (MILP) model ontology and a novel constraint typology of MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning, resource allocation, and timetabling optimization problems providing optimized business solutions for industry sectors such as manufacturing, agriculture, defence, healthcare, medicine, energy, finance, and transportation. Despite the numerous real-life Combinatorial Optimization Problems found and solved and millions yet to be discovered and formulated, the number of types of constraints (the building blocks of a MILP) is relatively small. In the search for a suitable machine-readable knowledge representation structure for MILPs, we propose an optimization modelling tree built based upon an MILP model ontology that can be used as a guide for automated systems to elicit an MILP model from end-users on their combinatorial business optimization problems. Our ultimate aim is to develop a machine-readable knowledge representation for MILP that allows us to map an end-user's natural language description of the business optimization problem to an MILP formal specification as a first step towards automated mathematical modelling.

A subgraph is constructed by using a subset of vertices and edges of a given graph. There exist many graph properties that are hereditary for subgraphs. Hence, researchers from different communities have paid a great deal of attention in studying numerous subgraph problems, on top of the ordinary graph problems. Many algorithms are proposed in studying subgraph problems, where one common approach is by extracting the patterns and structures of a given graph. Due to the complex structures of certain types of graphs and to improve overall performances of the existing frameworks, machine learning techniques have recently been employed in dealing with various subgraph problems. In this article, we present a comprehensive review on five well known subgraph problems that have been tackled by using machine learning methods. They are subgraph isomorphism (both counting and matching), maximum common subgraph, community detection and community search problems. We provide an outline of each proposed method, and examine its designs and performances. We also explore non-learning-based algorithms for each problem and a brief discussion is given. We then suggest some promising research directions in this area, hoping that relevant subgraph problems can be tackled by using a similar strategy. Since there is a huge growth in employing machine learning techniques in recent years, we believe that this survey will serve as a good reference point to relevant research communities.

Recently, a large amount of work has focused on improving large language models' (LLMs') performance on reasoning benchmarks such as math and logic. However, past work has largely assumed that tasks are well-defined. In the real world, queries to LLMs are often underspecified, only solvable through acquiring missing information. We formalize this as a constraint satisfaction problem (CSP) with missing variable assignments. Using a special case of this formalism where only one necessary variable assignment is missing, we can rigorously evaluate an LLM's ability to identify the minimal necessary question to ask and quantify axes of difficulty levels for each problem. We present QuestBench, a set of underspecified reasoning tasks solvable by asking at most one question, which includes: (1) Logic-Q: Logical reasoning tasks with one missing proposition, (2) Planning-Q: PDDL planning problems with initial states that are partially-observed, (3) GSM-Q: Human-annotated grade school math problems with one missing variable assignment, and (4) GSME-Q: a version of GSM-Q where word problems are translated into equations by human annotators. The LLM is tasked with selecting the correct clarification question(s) from a list of options. While state-of-the-art models excel at GSM-Q and GSME-Q, their accuracy is only 40-50% on Logic-Q and Planning-Q. Analysis demonstrates that the ability to solve well-specified reasoning problems may not be sufficient for success on our benchmark: models have difficulty identifying the right question to ask, even when they can solve the fully specified version of the problem. Furthermore, in the Planning-Q domain, LLMs tend not to hedge, even when explicitly presented with the option to predict ``not sure.'' This highlights the need for deeper investigation into models' information acquisition capabilities.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

In this paper, we consider a critical Grushin-type problem with double potentials. By applying the reduction argument and local Pohozaev identities, we construct a new family of solutions to this problem, which are concentrated at points lying on the top and the bottom circles of a cylinder.

Large reasoning models (e.g., R1, o3) have demonstrated remarkable mathematical problem-solving abilities. However, the high reported accuracy of these advanced models on popular datasets, reliance on purely numerical evaluation and potential benchmark leakage, often masks their true reasoning shortcomings. To address this, we propose leveraging the inherent rigor and methodological complexity of mathematical proofs as a diagnostic tool to expose these hidden failures. Specifically, we introduce the RFMDataset (Reveal Failure Modes), a collection of 200 diverse mathematical proof problems, and thoroughly evaluate advanced models' performance on it. Our in-depth analysis of their failures uncovers 10 fine-grained error types, which shows fundamental limitations in current large reasoning models: 1) large reasoning models grapple profoundly with mathematical proofs, with some generating entirely correct proofs for less than 20% of problems and failing even on basic ones; 2) models exhibit a diverse spectrum of reasoning failures, prominently demonstrating the lack of guarantees for the correctness and rigor of single-step reasoning; and 3) models show hallucination and incompleteness during the reasoning process. Our findings reveal that models' self-reflection is insufficient to resolve the current logical dilemmas, necessitating formalized and fine-grained logical training.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Existing combinatorial search methods are often complex and require some level of expertise. This work introduces a simple and efficient deep learning method for solving combinatorial problems with a predefined goal, represented by Rubik's Cube. We demonstrate that, for such problems, training a deep neural network on random scrambles branching from the goal state is sufficient to achieve near-optimal solutions. When tested on Rubik's Cube, 15 Puzzle, and 7times7 Lights Out, our method outperformed the previous state-of-the-art method DeepCubeA, improving the trade-off between solution optimality and computational cost, despite significantly less training data. Furthermore, we investigate the scaling law of our Rubik's Cube solver with respect to model size and training data volume.

We introduce FrontierMath, a benchmark of hundreds of original, exceptionally challenging mathematics problems crafted and vetted by expert mathematicians. The questions cover most major branches of modern mathematics -- from computationally intensive problems in number theory and real analysis to abstract questions in algebraic geometry and category theory. Solving a typical problem requires multiple hours of effort from a researcher in the relevant branch of mathematics, and for the upper end questions, multiple days. FrontierMath uses new, unpublished problems and automated verification to reliably evaluate models while minimizing risk of data contamination. Current state-of-the-art AI models solve under 2% of problems, revealing a vast gap between AI capabilities and the prowess of the mathematical community. As AI systems advance toward expert-level mathematical abilities, FrontierMath offers a rigorous testbed that quantifies their progress.

In this paper we look at the ability of recent large language models (LLMs) at solving mathematical problems in combinatorics. We compare models LLaMA-2, LLaMA-3.1, GPT-4, and Mixtral against each other and against human pupils and undergraduates with prior experience in mathematical olympiads. To facilitate these comparisons we introduce the Combi-Puzzles dataset, which contains 125 problem variants based on 25 combinatorial reasoning problems. Each problem is presented in one of five distinct forms, created by systematically manipulating the problem statements through adversarial additions, numeric parameter changes, and linguistic obfuscation. Our variations preserve the mathematical core and are designed to measure the generalisability of LLM problem-solving abilities, while also increasing confidence that problems are submitted to LLMs in forms that have not been seen as training instances. We found that a model based on GPT-4 outperformed all other models in producing correct responses, and performed significantly better in the mathematical variation of the problems than humans. We also found that modifications to problem statements significantly impact the LLM's performance, while human performance remains unaffected.

Our work presents a novel angle for evaluating language models' (LMs) mathematical abilities, by investigating whether they can discern skills and concepts enabled by math content. We contribute two datasets: one consisting of 385 fine-grained descriptions of K-12 math skills and concepts, or standards, from Achieve the Core (ATC), and another of 9.9K problems labeled with these standards (MathFish). Working with experienced teachers, we find that LMs struggle to tag and verify standards linked to problems, and instead predict labels that are close to ground truth, but differ in subtle ways. We also show that LMs often generate problems that do not fully align with standards described in prompts. Finally, we categorize problems in GSM8k using math standards, allowing us to better understand why some problems are more difficult to solve for models than others.

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I^3C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I^3C with few-shot reasoning. We develop I^3C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I^3C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I^3C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

Artificial intelligence promises to accelerate scientific discovery, yet its benefits remain unevenly distributed. While technical obstacles such as scarce data, fragmented standards, and unequal access to computation are significant, we argue that the primary barriers are social and institutional. Narratives that defer progress to speculative "AI scientists," the undervaluing of data and infrastructure contributions, misaligned incentives, and gaps between domain experts and machine learning researchers all constrain impact. We highlight four interconnected challenges: community dysfunction, research priorities misaligned with upstream needs, data fragmentation, and infrastructure inequities. We argue that their roots lie in cultural and organizational practices. Addressing them requires not only technical innovation but also intentional community-building, cross-disciplinary education, shared benchmarks, and accessible infrastructure. We call for reframing AI for science as a collective social project, where sustainable collaboration and equitable participation are treated as prerequisites for technical progress.

We present Archer, a challenging bilingual text-to-SQL dataset specific to complex reasoning, including arithmetic, commonsense and hypothetical reasoning. It contains 1,042 English questions and 1,042 Chinese questions, along with 521 unique SQL queries, covering 20 English databases across 20 domains. Notably, this dataset demonstrates a significantly higher level of complexity compared to existing publicly available datasets. Our evaluation shows that Archer challenges the capabilities of current state-of-the-art models, with a high-ranked model on the Spider leaderboard achieving only 6.73% execution accuracy on Archer test set. Thus, Archer presents a significant challenge for future research in this field.

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

In this note we establish a 1-to-1 correspondence between the class of generalized quadrangles with ovoids and the class of balanced incomplete block designs that posses a non-triangular local resolution system and have the appropriate parameters. We present a non-triangular local resolution system for a difference family BIBD construction of Sprott.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

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.

The data revolution experienced in recent times has thrown up new challenges and opportunities for businesses of all sizes in diverse industries. Big data analytics is already at the forefront of innovations to help make meaningful business decisions from the abundance of raw data available today. Business intelligence and analytics has become a huge trend in todays IT world as companies of all sizes are looking to improve their business processes and scale up using data driven solutions. This paper aims to demonstrate the data analytical process of deriving business intelligence via the historical data of a fictional bike share company seeking to find innovative ways to convert their casual riders to annual paying registered members. The dataset used is freely available as Chicago Divvy Bicycle Sharing Data on Kaggle. The authors used the RTidyverse library in RStudio to analyse the data and followed the six data analysis steps of ask, prepare, process, analyse, share, and act to recommend some actionable approaches the company could adopt to convert casual riders to paying annual members. The findings from this research serve as a valuable case example, of a real world deployment of BIA technologies in the industry, and a demonstration of the data analysis cycle for data practitioners, researchers, and other potential users.

Recent technological advances, especially in the field of machine learning, provide astonishing progress on the road towards artificial general intelligence. However, tasks in current real-world business applications cannot yet be solved by machines alone. We, therefore, identify the need for developing socio-technological ensembles of humans and machines. Such systems possess the ability to accomplish complex goals by combining human and artificial intelligence to collectively achieve superior results and continuously improve by learning from each other. Thus, the need for structured design knowledge for those systems arises. Following a taxonomy development method, this article provides three main contributions: First, we present a structured overview of interdisciplinary research on the role of humans in the machine learning pipeline. Second, we envision hybrid intelligence systems and conceptualize the relevant dimensions for system design for the first time. Finally, we offer useful guidance for system developers during the implementation of such applications.

Large language models (LLMs) have significantly advanced natural language understanding and demonstrated strong problem-solving abilities. Despite these successes, most LLMs still struggle with solving mathematical problems due to the intricate reasoning required. This paper investigates the mathematical problem-solving capabilities of LLMs using the newly developed "MathOdyssey" dataset. The dataset includes diverse mathematical problems at high school and university levels, created by experts from notable institutions to rigorously test LLMs in advanced problem-solving scenarios and cover a wider range of subject areas. By providing the MathOdyssey dataset as a resource to the AI community, we aim to contribute to the understanding and improvement of AI capabilities in complex mathematical problem-solving. We conduct benchmarking on open-source models, such as Llama-3 and DBRX-Instruct, and closed-source models from the GPT series and Gemini models. Our results indicate that while LLMs perform well on routine and moderately difficult tasks, they face significant challenges with Olympiad-level problems and complex university-level questions. Our analysis shows a narrowing performance gap between open-source and closed-source models, yet substantial challenges remain, particularly with the most demanding problems. This study highlights the ongoing need for research to enhance the mathematical reasoning of LLMs. The dataset, results, and code are publicly available.

Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We empirically evaluate these claims through thousands of model evaluations on several tabular datasets. We find that the fairness-accuracy Pareto frontier achieved by postprocessing contains all other methods we were feasibly able to evaluate. In doing so, we address two common methodological errors that have confounded previous observations. One relates to the comparison of methods with different unconstrained base models. The other concerns methods achieving different levels of constraint relaxation. At the heart of our study is a simple idea we call unprocessing that roughly corresponds to the inverse of postprocessing. Unprocessing allows for a direct comparison of methods using different underlying models and levels of relaxation.

In this case study, the renowned Travelling Salesmen problem has been studied. Travelling Salesman problem is a most demanding computational problem in Computer Science. The Travelling Salesmen problem has been solved by two different ways using Hopfield Network. The main theory of the problem is to find distance and connectedness between nodes in a graph having edges between the nodes. The basic algorithm used for this problem is Djikstra's Algorithm. But till now , a number of such algorithms have evolved. Among them(some other algorithms) , are distinct and have been proved to solve the travelling salesmen problem by graph theory.

The emerging field of Diverse Intelligence seeks to identify, formalize, and understand commonalities in behavioral competencies across a wide range of implementations. Especially interesting are simple systems that provide unexpected examples of memory, decision-making, or problem-solving in substrates that at first glance do not appear to be complex enough to implement such capabilities. We seek to develop tools to help understand the minimal requirements for such capabilities, and to learn to recognize and predict basal forms of intelligence in unconventional substrates. Here, we apply novel analyses to the behavior of classical sorting algorithms, short pieces of code which have been studied for many decades. To study these sorting algorithms as a model of biological morphogenesis and its competencies, we break two formerly-ubiquitous assumptions: top-down control (instead, showing how each element within a array of numbers can exert minimal agency and implement sorting policies from the bottom up), and fully reliable hardware (instead, allowing some of the elements to be "damaged" and fail to execute the algorithm). We quantitatively characterize sorting activity as the traversal of a problem space, showing that arrays of autonomous elements sort themselves more reliably and robustly than traditional implementations in the presence of errors. Moreover, we find the ability to temporarily reduce progress in order to navigate around a defect, and unexpected clustering behavior among the elements in chimeric arrays whose elements follow one of two different algorithms. The discovery of emergent problem-solving capacities in simple, familiar algorithms contributes a new perspective to the field of Diverse Intelligence, showing how basal forms of intelligence can emerge in simple systems without being explicitly encoded in their underlying mechanics.

Maximizing a monotone submodular function under cardinality constraint k is a core problem in machine learning and database with many basic applications, including video and data summarization, recommendation systems, feature extraction, exemplar clustering, and coverage problems. We study this classic problem in the fully dynamic model where a stream of insertions and deletions of elements of an underlying ground set is given and the goal is to maintain an approximate solution using a fast update time. A recent paper at NeurIPS'20 by Lattanzi, Mitrovic, Norouzi{-}Fard, Tarnawski, Zadimoghaddam claims to obtain a dynamic algorithm for this problem with a 1{2} -epsilon approximation ratio and a query complexity bounded by poly(log(n),log(k),epsilon^{-1}). However, as we explain in this paper, the analysis has some important gaps. Having a dynamic algorithm for the problem with polylogarithmic update time is even more important in light of a recent result by Chen and Peng at STOC'22 who show a matching lower bound for the problem -- any randomized algorithm with a 1{2}+epsilon approximation ratio must have an amortized query complexity that is polynomial in n. In this paper, we develop a simpler algorithm for the problem that maintains a (1{2}-epsilon)-approximate solution for submodular maximization under cardinality constraint k using a polylogarithmic amortized update time.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Auditing large language models for unexpected behaviors is critical to preempt catastrophic deployments, yet remains challenging. In this work, we cast auditing as an optimization problem, where we automatically search for input-output pairs that match a desired target behavior. For example, we might aim to find a non-toxic input that starts with "Barack Obama" that a model maps to a toxic output. This optimization problem is difficult to solve as the set of feasible points is sparse, the space is discrete, and the language models we audit are non-linear and high-dimensional. To combat these challenges, we introduce a discrete optimization algorithm, ARCA, that jointly and efficiently optimizes over inputs and outputs. Our approach automatically uncovers derogatory completions about celebrities (e.g. "Barack Obama is a legalized unborn" -> "child murderer"), produces French inputs that complete to English outputs, and finds inputs that generate a specific name. Our work offers a promising new tool to uncover models' failure-modes before deployment.

Measuring the full abilities of large language models (LLMs) requires benchmarks representing multiple tasks. We aim to create large, high-quality datasets for comparison of logical reasoning skills across several languages and of suitable difficulty for LLMs of various reasoning ability. We explore multiple ways of increasing difficulty. We generate zebra puzzles in multiple languages, themes, sizes and including 14 different clue types and 8 red herring types (uninformative clues). We find puzzle sizes 2x3 and 4x5 are sufficiently challenging for GPT-4o mini (a non-reasoning model) and o3-mini (a reasoning model), respectively. Including 5 red herrings decreases o3-mini puzzle-level accuracy on 4x5 puzzles by 15pm7 %. Scores of o3-mini on 4x5 puzzles are not significantly affected by use of English vs. Danish or the common houses theme vs. the country-specific smoerrebroed theme. We find no correlation between difficulty and the selected clue types. Datasets of 128+1024 puzzles are published as MultiZebraLogic in each of nine Germanic languages for sizes 2x3 and 4x5. We publish code for puzzle generation, designed for adaptablity into more languages and themes.

Orientation of modern software systems towards data-intensive processing raises new difficulties in software engineering on how to build and maintain such systems. Some of the important challenges concern the design of software architecture. In this article, we survey the fundamental challenges when designing data-intensive computing systems and present some of the most popular software architectural styles together with their potential to tackle these challenges.

We study the approximability of an existing framework for clustering edge-colored hypergraphs, which is closely related to chromatic correlation clustering and is motivated by machine learning and data mining applications where the goal is to cluster a set of objects based on multiway interactions of different categories or types. We present improved approximation guarantees based on linear programming, and show they are tight by proving a matching integrality gap. Our results also include new approximation hardness results, a combinatorial 2-approximation whose runtime is linear in the hypergraph size, and several new connections to well-studied objectives such as vertex cover and hypergraph multiway cut.

In recent times, a plethora of Large Code Generation Models (LCGMs) have been proposed, showcasing significant potential in assisting developers with complex programming tasks. Benchmarking LCGMs necessitates the creation of a set of diverse programming problems, and each problem comprises the prompt (including the task description), canonical solution, and test inputs. The existing methods for constructing such a problem set can be categorized into two main types: manual methods and perturbation-based methods. However, manual methods demand high effort and lack scalability, while also risking data integrity due to LCGMs' potentially contaminated data collection, and perturbation-based approaches mainly generate semantically homogeneous problems with the same canonical solutions and introduce typos that can be easily auto-corrected by IDE, making them ineffective and unrealistic. In this work, we propose the idea of programming problem merging (PPM) and provide two implementation of this idea, we utilize our tool on two widely-used datasets and compare it against nine baseline methods using eight code generation models. The results demonstrate the effectiveness of our tool in generating more challenging, diverse, and natural programming problems, comparing to the baselines.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across diverse domains. Unlike traditional computational systems, LLMs combine raw computational power with an approximation of human reasoning, allowing them to generate solutions, make inferences, and even leverage external computational tools. However, applying LLMs to real-world problem-solving presents significant challenges, including multi-step reasoning, domain knowledge integration, and result verification. This survey explores the capabilities and limitations of LLMs in complex problem-solving, examining techniques including Chain-of-Thought (CoT) reasoning, knowledge augmentation, and various LLM-based and tool-based verification techniques. Additionally, we highlight domain-specific challenges in various domains, such as software engineering, mathematical reasoning and proving, data analysis and modeling, and scientific research. The paper further discusses the fundamental limitations of the current LLM solutions and the future directions of LLM-based complex problems solving from the perspective of multi-step reasoning, domain knowledge integration and result verification.

Backward compatibility of model predictions is a desired property when updating a machine learning driven application. It allows to seamlessly improve the underlying model without introducing regression bugs. In classification tasks these bugs occur in the form of negative flips. This means an instance that was correctly classified by the old model is now classified incorrectly by the updated model. This has direct negative impact on the user experience of such systems e.g. a frequently used voice assistant query is suddenly misclassified. A common reason to update the model is when new training data becomes available and needs to be incorporated. Simply retraining the model with the updated data introduces the unwanted negative flips. We study the problem of regression during data updates and propose Backward Compatible Weight Interpolation (BCWI). This method interpolates between the weights of the old and new model and we show in extensive experiments that it reduces negative flips without sacrificing the improved accuracy of the new model. BCWI is straight forward to implement and does not increase inference cost. We also explore the use of importance weighting during interpolation and averaging the weights of multiple new models in order to further reduce negative flips.

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.

Artificial Intelligence (AI) is making a profound impact in almost every domain. A vital enabler of its great success is the availability of abundant and high-quality data for building machine learning models. Recently, the role of data in AI has been significantly magnified, giving rise to the emerging concept of data-centric AI. The attention of researchers and practitioners has gradually shifted from advancing model design to enhancing the quality and quantity of the data. In this survey, we discuss the necessity of data-centric AI, followed by a holistic view of three general data-centric goals (training data development, inference data development, and data maintenance) and the representative methods. We also organize the existing literature from automation and collaboration perspectives, discuss the challenges, and tabulate the benchmarks for various tasks. We believe this is the first comprehensive survey that provides a global view of a spectrum of tasks across various stages of the data lifecycle. We hope it can help the readers efficiently grasp a broad picture of this field, and equip them with the techniques and further research ideas to systematically engineer data for building AI systems. A companion list of data-centric AI resources will be regularly updated on https://github.com/daochenzha/data-centric-AI

Reasoning models have demonstrated impressive performance on difficult tasks that traditional language models struggle at. However, many are plagued with the problem of overthinking--generating large amounts of unnecessary tokens which don't improve accuracy on a question. We introduce approximate measures of problem-level difficulty and demonstrate that a clear relationship between problem difficulty and optimal token spend exists, and evaluate how well calibrated a variety of reasoning models are in terms of efficiently allocating the optimal token count. We find that in general, reasoning models are poorly calibrated, particularly on easy problems. To evaluate calibration on easy questions we introduce DUMB500, a dataset of extremely easy math, reasoning, code, and task problems, and jointly evaluate reasoning model on these simple examples and extremely difficult examples from existing frontier benchmarks on the same task domain. Finally, we introduce THOUGHTTERMINATOR, a training-free black box decoding technique that significantly improves reasoning model calibration.

The paradigm of machine learning and artificial intelligence has pervaded our everyday life in such a way that it is no longer an area for esoteric academics and scientists putting their effort to solve a challenging research problem. The evolution is quite natural rather than accidental. With the exponential growth in processing speed and with the emergence of smarter algorithms for solving complex and challenging problems, organizations have found it possible to harness a humongous volume of data in realizing solutions that have far-reaching business values. This introductory chapter highlights some of the challenges and barriers that organizations in the financial services sector at the present encounter in adopting machine learning and artificial intelligence-based models and applications in their day-to-day operations.

Learning classifiers using skewed or imbalanced datasets can occasionally lead to classification issues; this is a serious issue. In some cases, one class contains the majority of examples while the other, which is frequently the more important class, is nevertheless represented by a smaller proportion of examples. Using this kind of data could make many carefully designed machine-learning systems ineffective. High training fidelity was a term used to describe biases vs. all other instances of the class. The best approach to all possible remedies to this issue is typically to gain from the minority class. The article examines the most widely used methods for addressing the problem of learning with a class imbalance, including data-level, algorithm-level, hybrid, cost-sensitive learning, and deep learning, etc. including their advantages and limitations. The efficiency and performance of the classifier are assessed using a myriad of evaluation metrics.

The development of Artificial General Intelligence (AGI) promises to be a major event. Along with its many potential benefits, it also raises serious safety concerns (Bostrom, 2014). The intention of this paper is to provide an easily accessible and up-to-date collection of references for the emerging field of AGI safety. A significant number of safety problems for AGI have been identified. We list these, and survey recent research on solving them. We also cover works on how best to think of AGI from the limited knowledge we have today, predictions for when AGI will first be created, and what will happen after its creation. Finally, we review the current public policy on AGI.

Answering questions within business and finance requires reasoning, precision, and a wide-breadth of technical knowledge. Together, these requirements make this domain difficult for large language models (LLMs). We introduce BizBench, a benchmark for evaluating models' ability to reason about realistic financial problems. BizBench comprises eight quantitative reasoning tasks, focusing on question-answering (QA) over financial data via program synthesis. We include three financially-themed code-generation tasks from newly collected and augmented QA data. Additionally, we isolate the reasoning capabilities required for financial QA: reading comprehension of financial text and tables for extracting intermediate values, and understanding financial concepts and formulas needed to calculate complex solutions. Collectively, these tasks evaluate a model's financial background knowledge, ability to parse financial documents, and capacity to solve problems with code. We conduct an in-depth evaluation of open-source and commercial LLMs, comparing and contrasting the behavior of code-focused and language-focused models. We demonstrate that the current bottleneck in performance is due to LLMs' limited business and financial understanding, highlighting the value of a challenging benchmark for quantitative reasoning within this domain.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

Printed Circuit Boards are the foundation for the functioning of any electronic device, and therefore are an essential component for various industries such as automobile, communication, computation, etc. However, one of the challenges faced by the PCB manufacturers in the process of manufacturing of the PCBs is the faulty placement of its components including missing components. In the present scenario the infrastructure required to ensure adequate quality of the PCB requires a lot of time and effort. The authors present a novel solution for detecting missing components and classifying them in a resourceful manner. The presented algorithm focuses on pixel theory and object detection, which has been used in combination to optimize the results from the given dataset.

Shojaee et al. (2025) report that Large Reasoning Models (LRMs) exhibit "accuracy collapse" on planning puzzles beyond certain complexity thresholds. We demonstrate that their findings primarily reflect experimental design limitations rather than fundamental reasoning failures. Our analysis reveals three critical issues: (1) Tower of Hanoi experiments systematically exceed model output token limits at reported failure points, with models explicitly acknowledging these constraints in their outputs; (2) The authors' automated evaluation framework fails to distinguish between reasoning failures and practical constraints, leading to misclassification of model capabilities; (3) Most concerningly, their River Crossing benchmarks include mathematically impossible instances for N > 5 due to insufficient boat capacity, yet models are scored as failures for not solving these unsolvable problems. When we control for these experimental artifacts, by requesting generating functions instead of exhaustive move lists, preliminary experiments across multiple models indicate high accuracy on Tower of Hanoi instances previously reported as complete failures. These findings highlight the importance of careful experimental design when evaluating AI reasoning capabilities.

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.

Cutting-edge large language models (LLMs) demonstrate promising performance in solving complex math problems with a divide-and-conquer pipeline and the assistance of in-context learning (ICL) examples. However, their potential for improvement is limited by two critical problems within their ICL examples: granularity-mismatch and the ensuing negative-effect noise problem. Specifically, the LLMs are capable of the dividing process yet mostly failed by inaccurate reasoning within a few conquer steps, while the ICL examples retrieved in question-grained sometimes lack relevant steps for a specific challenging reasoning step. Further, this disconnect may hinder the correct reasoning due to its irrelevance. To this end, we focus on improving the reasoning quality within each step and present BoostStep. BoostStep aligns the granularity between the retrieving and reasoning on step grained, and provides highly related ICL examples for each reasoning step with a novel `first-try' strategy. BoostStep provides more relevant examples than the coarse question-grained strategy, enhancing the model reasoning quality within each step steadily. BoostStep is a general and robust reasoning-enhancing method that not only improves standalone reasoning performance but also integrates seamlessly with Monte Carlo Tree Search methods (MCTS) to refine both candidate generation and decision-making. Quantitatively, it improves GPT-4o and Qwen2.5-Math-72B by 3.6\% and 2.0\% respectively on various mathematical benchmarks, and 7.5\% gain combined with MCTS.

Visual mathematical reasoning, as a fundamental visual reasoning ability, has received widespread attention from the Large Multimodal Models (LMMs) community. Existing benchmarks, such as MathVista and MathVerse, focus more on the result-oriented performance but neglect the underlying principles in knowledge acquisition and generalization. Inspired by human-like mathematical reasoning, we introduce WE-MATH, the first benchmark specifically designed to explore the problem-solving principles beyond end-to-end performance. We meticulously collect and categorize 6.5K visual math problems, spanning 67 hierarchical knowledge concepts and five layers of knowledge granularity. We decompose composite problems into sub-problems according to the required knowledge concepts and introduce a novel four-dimensional metric, namely Insufficient Knowledge (IK), Inadequate Generalization (IG), Complete Mastery (CM), and Rote Memorization (RM), to hierarchically assess inherent issues in LMMs' reasoning process. With WE-MATH, we conduct a thorough evaluation of existing LMMs in visual mathematical reasoning and reveal a negative correlation between solving steps and problem-specific performance. We confirm the IK issue of LMMs can be effectively improved via knowledge augmentation strategies. More notably, the primary challenge of GPT-4o has significantly transitioned from IK to IG, establishing it as the first LMM advancing towards the knowledge generalization stage. In contrast, other LMMs exhibit a marked inclination towards Rote Memorization - they correctly solve composite problems involving multiple knowledge concepts yet fail to answer sub-problems. We anticipate that WE-MATH will open new pathways for advancements in visual mathematical reasoning for LMMs. The WE-MATH data and evaluation code are available at https://github.com/We-Math/We-Math.

Federated bilevel optimization has received increasing attention in various emerging machine learning and communication applications. Recently, several Hessian-vector-based algorithms have been proposed to solve the federated bilevel optimization problem. However, several important properties in federated learning such as the partial client participation and the linear speedup for convergence (i.e., the convergence rate and complexity are improved linearly with respect to the number of sampled clients) in the presence of non-i.i.d.~datasets, still remain open. In this paper, we fill these gaps by proposing a new federated bilevel algorithm named FedMBO with a novel client sampling scheme in the federated hypergradient estimation. We show that FedMBO achieves a convergence rate of Obig(1{nK}+1{K}+sqrt{n}{K^{3/2}}big) on non-i.i.d.~datasets, where n is the number of participating clients in each round, and K is the total number of iteration. This is the first theoretical linear speedup result for non-i.i.d.~federated bilevel optimization. Extensive experiments validate our theoretical results and demonstrate the effectiveness of our proposed method.

Math reasoning is becoming an ever increasing area of focus as we scale large language models. However, even the previously-toughest evals like MATH are now close to saturated by frontier models (90.0% for o1-mini and 86.5% for Gemini 1.5 Pro). We introduce HARP, Human Annotated Reasoning Problems (for Math), consisting of 5,409 problems from the US national math competitions (A(J)HSME, AMC, AIME, USA(J)MO). Of these, 4,780 have answers that are automatically check-able (with libraries such as SymPy). These problems range six difficulty levels, with frontier models performing relatively poorly on the hardest bracket of 197 problems (average accuracy 41.1% for o1-mini, and 9.6% for Gemini 1.5 Pro). Our dataset also features multiple choices (for 4,110 problems) and an average of two human-written, ground-truth solutions per problem, offering new avenues of research that we explore briefly. We report evaluations for many frontier models and share some interesting analyses, such as demonstrating that frontier models across families intrinsically scale their inference-time compute for more difficult problems. Finally, we open source all code used for dataset construction (including scraping) and all code for evaluation (including answer checking) to enable future research at: https://github.com/aadityasingh/HARP.

Tool-augmented large language models (LLMs) are rapidly being integrated into real-world applications. Due to the lack of benchmarks, the community still needs to fully understand the hallucination issues within these models. To address this challenge, we introduce a comprehensive diagnostic benchmark, ToolBH. Specifically, we assess the LLM's hallucinations through two perspectives: depth and breadth. In terms of depth, we propose a multi-level diagnostic process, including (1) solvability detection, (2) solution planning, and (3) missing-tool analysis. For breadth, we consider three scenarios based on the characteristics of the toolset: missing necessary tools, potential tools, and limited functionality tools. Furthermore, we developed seven tasks and collected 700 evaluation samples through multiple rounds of manual annotation. The results show the significant challenges presented by the ToolBH benchmark. The current advanced models Gemini-1.5-Pro and GPT-4o only achieve a total score of 45.3 and 37.0, respectively, on a scale of 100. In this benchmark, larger model parameters do not guarantee better performance; the training data and response strategies also play a crucial role in tool-enhanced LLM scenarios. Our diagnostic analysis indicates that the primary reason for model errors lies in assessing task solvability. Additionally, open-weight models suffer from performance drops with verbose replies, whereas proprietary models excel with longer reasoning.

Although previous research on large language models (LLMs) and large multi-modal models (LMMs) has systematically explored mathematical problem-solving (MPS) within visual contexts, the analysis of how these models process visual information during problem-solving remains insufficient. To address this gap, we present VisAidMath, a benchmark for evaluating the MPS process related to visual information. We follow a rigorous data curation pipeline involving both automated processes and manual annotations to ensure data quality and reliability. Consequently, this benchmark includes 1,200 challenging problems from various mathematical branches, vision-aid formulations, and difficulty levels, collected from diverse sources such as textbooks, examination papers, and Olympiad problems. Based on the proposed benchmark, we conduct comprehensive evaluations on ten mainstream LLMs and LMMs, highlighting deficiencies in the visual-aided reasoning process. For example, GPT-4V only achieves 45.33% accuracy in the visual-aided reasoning task, even with a drop of 2 points when provided with golden visual aids. In-depth analysis reveals that the main cause of deficiencies lies in hallucination regarding the implicit visual reasoning process, shedding light on future research directions in the visual-aided MPS process.

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

Organizations cannot address demographic disparities that they cannot see. Recent research on machine learning and fairness has emphasized that awareness of sensitive attributes, such as race and sex, is critical to the development of interventions. However, on the ground, the existence of these data cannot be taken for granted. This paper uses the domains of employment, credit, and healthcare in the United States to surface conditions that have shaped the availability of sensitive attribute data. For each domain, we describe how and when private companies collect or infer sensitive attribute data for antidiscrimination purposes. An inconsistent story emerges: Some companies are required by law to collect sensitive attribute data, while others are prohibited from doing so. Still others, in the absence of legal mandates, have determined that collection and imputation of these data are appropriate to address disparities. This story has important implications for fairness research and its future applications. If companies that mediate access to life opportunities are unable or hesitant to collect or infer sensitive attribute data, then proposed techniques to detect and mitigate bias in machine learning models might never be implemented outside the lab. We conclude that today's legal requirements and corporate practices, while highly inconsistent across domains, offer lessons for how to approach the collection and inference of sensitive data in appropriate circumstances. We urge stakeholders, including machine learning practitioners, to actively help chart a path forward that takes both policy goals and technical needs into account.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

Geometry problem solving is a key area of mathematical reasoning, which is widely involved in many important fields such as education, mathematical ability assessment of artificial intelligence, and multimodal ability assessment. In recent years, the rapid development of deep learning technology, especially the rise of multimodal large language models, has triggered a widespread research boom. This paper provides a survey of the applications of deep learning in geometry problem solving, including (i) a comprehensive summary of the relevant tasks in geometry problem solving; (ii) a thorough review of related deep learning methods; (iii) a detailed analysis of evaluation metrics and methods; and (iv) a critical discussion of the current challenges and future directions that can be explored. Our goal is to provide a comprehensive and practical reference of deep learning for geometry problem solving to promote further developments in this field. We create a continuously updated list of papers on GitHub: https://github.com/majianz/dl4gps.

Chain-of-thought prompting~(CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models~(LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may be not able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they may only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps. To address the issue, we construct CARP, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to wrong answers. Based on this finding, we propose a new approach that can deliberate the reasoning steps with tool interfaces, namely DELI. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from the perspectives of tool manipulation and natural language reasoning, until obtaining converged solutions or reaching the maximum turn. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available in https://github.com/RUCAIBox/CARP.

Physics problem-solving is a challenging domain for large AI models, requiring integration of conceptual understanding, mathematical reasoning, and interpretation of physical diagrams. Current evaluation methodologies show notable limitations in capturing the breadth and complexity of undergraduate-level physics, underscoring the need for more rigorous assessments. To this end, we present PhysUniBench, a large-scale multimodal benchmark designed to evaluate and improve the reasoning capabilities of multimodal large language models (MLLMs) specifically on undergraduate-level physics problems. PhysUniBench consists of 3,304 physics questions spanning 8 major sub-disciplines of physics, each accompanied by one visual diagrams. The benchmark includes both open-ended and multiple-choice questions, systematically curated and difficulty-rated through an iterative model-in-the-loop process. The benchmark's construction involved a rigorous multi-stage process, including multiple roll-outs, expert-level evaluation, automated filtering of easily solved problems, and a nuanced difficulty grading system with five levels. Through extensive experiments, we observe that current state-of-the-art models encounter substantial challenges in physics reasoning. For example, GPT-4o mini achieves only about 34.2\% accuracy in the proposed PhysUniBench. These results highlight that current MLLMs struggle with advanced physics reasoning, especially on multi-step problems and those requiring precise diagram interpretation. By providing a broad and rigorous assessment tool, PhysUniBench aims to drive progress in AI for Science, encouraging the development of models with stronger physical reasoning, problem-solving skills, and multimodal understanding. The benchmark and evaluation scripts are available at https://prismax-team.github.io/PhysUniBenchmark/.

This is the first paper in a series of work we have accomplished over the past three years. In this paper, we have constructed a consistent formal plane geometry system. This will serve as a crucial bridge between IMO-level plane geometry challenges and readable AI automated reasoning. Within this formal framework, we have been able to seamlessly integrate modern AI models with our formal system. AI is now capable of providing deductive reasoning solutions to IMO-level plane geometry problems, just like handling other natural languages, and these proofs are readable, traceable, and verifiable. We propose the geometry formalization theory (GFT) to guide the development of the geometry formal system. Based on the GFT, we have established the FormalGeo, which consists of 88 geometric predicates and 196 theorems. It can represent, validate, and solve IMO-level geometry problems. we also have crafted the FGPS (formal geometry problem solver) in Python. It serves as both an interactive assistant for verifying problem-solving processes and an automated problem solver. We've annotated the formalgeo7k and formalgeo-imo datasets. The former contains 6,981 (expand to 133,818 through data augmentation) geometry problems, while the latter includes 18 (expand to 2,627 and continuously increasing) IMO-level challenging geometry problems. All annotated problems include detailed formal language descriptions and solutions. Implementation of the formal system and experiments validate the correctness and utility of the GFT. The backward depth-first search method only yields a 2.42% problem-solving failure rate, and we can incorporate deep learning techniques to achieve lower one. The source code of FGPS and datasets are available at https://github.com/BitSecret/FGPS.

The machine learning community currently has no standardized process for documenting datasets, which can lead to severe consequences in high-stakes domains. To address this gap, we propose datasheets for datasets. In the electronics industry, every component, no matter how simple or complex, is accompanied with a datasheet that describes its operating characteristics, test results, recommended uses, and other information. By analogy, we propose that every dataset be accompanied with a datasheet that documents its motivation, composition, collection process, recommended uses, and so on. Datasheets for datasets will facilitate better communication between dataset creators and dataset consumers, and encourage the machine learning community to prioritize transparency and accountability.

Using Large Language Models for complex mathematical reasoning is difficult, primarily due to the complexity of multi-step reasoning. The main challenges of this process include (1) selecting critical intermediate results to advance the procedure, and (2) limited exploration of potential solutions. To address these issues, we introduce a novel algorithm, namely Stepwise Self-Consistent Chain-of-Thought (SSC-CoT). SSC-CoT employs a strategy of selecting intermediate steps based on the intersection of various reasoning chains. Additionally, SSC-CoT enables the model to discover critical intermediate steps by querying a knowledge graph comprising relevant domain knowledge. To validate SSC-CoT, we present a new dataset, TriMaster100, tailored for complex trigonometry problems. This dataset contains 100 questions, with each solution broken down into scored intermediate steps, facilitating a comprehensive evaluation of the mathematical reasoning process. On TriMaster100, SSC-CoT triples the effectiveness of the state-of-the-art methods. Furthermore, we benchmark SSC-CoT on the widely recognized complex mathematical question dataset, MATH level 5, and it surpasses the second-best method by 7.2% in accuracy. Code and the TriMaster100 dataset can be found at: https://github.com/zhao-zilong/ssc-cot.

We consider the Similarity Sketching problem: Given a universe [u] = {0,ldots, u-1} we want a random function S mapping subsets Asubseteq [u] into vectors S(A) of size t, such that the Jaccard similarity J(A,B) = |Acap B|/|Acup B| between sets A and B is preserved. More precisely, define X_i = [S(A)[i] = S(B)[i]] and X = sum_{iin [t]} X_i. We want E[X_i]=J(A,B), and we want X to be strongly concentrated around E[X] = t cdot J(A,B) (i.e. Chernoff-style bounds). This is a fundamental problem which has found numerous applications in data mining, large-scale classification, computer vision, similarity search, etc. via the classic MinHash algorithm. The vectors S(A) are also called sketches. Strong concentration is critical, for often we want to sketch many sets B_1,ldots,B_n so that we later, for a query set A, can find (one of) the most similar B_i. It is then critical that no B_i looks much more similar to A due to errors in the sketch. The seminal ttimesMinHash algorithm uses t random hash functions h_1,ldots, h_t, and stores left ( min_{ain A} h_1(A),ldots, min_{ain A} h_t(A) right ) as the sketch of A. The main drawback of MinHash is, however, its O(tcdot |A|) running time, and finding a sketch with similar properties and faster running time has been the subject of several papers. (continued...)

Mixed Integer Linear Programming (MILP) is essential for modeling complex decision-making problems but faces challenges in computational tractability and requires expert formulation. Current deep learning approaches for MILP focus on specific problem classes and do not generalize to unseen classes. To address this shortcoming, we take a foundation model training approach, where we train a single deep learning model on a diverse set of MILP problems to generalize across problem classes. As existing datasets for MILP lack diversity and volume, we introduce MILP-Evolve, a novel LLM-based evolutionary framework that is capable of generating a large set of diverse MILP classes with an unlimited amount of instances. We study our methodology on three key learning tasks that capture diverse aspects of MILP: (1) integrality gap prediction, (2) learning to branch, and (3) a new task of aligning MILP instances with natural language descriptions. Our empirical results show that models trained on the data generated by MILP-Evolve achieve significant improvements on unseen problems, including MIPLIB benchmarks. Our work highlights the potential of moving towards a foundation model approach for MILP that can generalize to a broad range of MILP applications. Our code and data are publicly available at https://github.com/microsoft/OptiGuide.

Advanced applied mathematics problems are underrepresented in existing Large Language Model (LLM) benchmark datasets. To address this, we introduce HARDMath, a dataset inspired by a graduate course on asymptotic methods, featuring challenging applied mathematics problems that require analytical approximation techniques. These problems demand a combination of mathematical reasoning, computational tools, and subjective judgment, making them difficult for LLMs. Our framework auto-generates a large number of problems with solutions validated against numerical ground truths. We evaluate both open- and closed-source LLMs on HARDMath-mini, a sub-sampled test set of 366 problems, as well as on 40 word problems formulated in applied science contexts. Even leading closed-source models like GPT-4 achieve only 43.8% overall accuracy with few-shot Chain-of-Thought prompting, and all models demonstrate significantly lower performance compared to results on existing mathematics benchmark datasets. We additionally conduct a detailed error analysis to gain insights into the failure cases of LLMs. These results demonstrate limitations of current LLM performance on advanced graduate-level applied math problems and underscore the importance of datasets like HARDMath to advance mathematical abilities of LLMs.

Self-Admitted Technical Debt (SATD) refers to circumstances where developers use textual artifacts to explain why the existing implementation is not optimal. Past research in detecting SATD has focused on either identifying SATD (classifying SATD items as SATD or not) or categorizing SATD (labeling instances as SATD that pertain to requirement, design, code, test debt, etc.). However, the performance of these approaches remains suboptimal, particularly for specific types of SATD, such as test and requirement debt, primarily due to extremely imbalanced datasets. To address these challenges, we build on earlier research by utilizing BiLSTM architecture for the binary identification of SATD and BERT architecture for categorizing different types of SATD. Despite their effectiveness, both architectures struggle with imbalanced data. Therefore, we employ a large language model data augmentation strategy to mitigate this issue. Furthermore, we introduce a two-step approach to identify and categorize SATD across various datasets derived from different artifacts. Our contributions include providing a balanced dataset for future SATD researchers and demonstrating that our approach significantly improves SATD identification and categorization performance compared to baseline methods.

Large Language Models (LLMs) have emerged as powerful tools for Text-to-SQL tasks, exhibiting remarkable reasoning capabilities. Different from tasks such as math word problems and commonsense reasoning, SQL solutions have a relatively fixed pattern. This facilitates the investigation of whether LLMs can benefit from categorical thinking, mirroring how humans acquire knowledge through inductive reasoning based on comparable examples. In this study, we propose that employing query group partitioning allows LLMs to focus on learning the thought processes specific to a single problem type, consequently enhancing their reasoning abilities across diverse difficulty levels and problem categories. Our experiments reveal that multiple advanced LLMs, when equipped with PTD-SQL, can either surpass or match previous state-of-the-art (SOTA) methods on the Spider and BIRD datasets. Intriguingly, models with varying initial performances have exhibited significant improvements, mainly at the boundary of their capabilities after targeted drilling, suggesting a parallel with human progress. Code is available at https://github.com/lrlbbzl/PTD-SQL.

While generalization over tasks from easy to hard is crucial to profile language models (LLMs), the datasets with fine-grained difficulty annotations for each problem across a broad range of complexity are still blank. Aiming to address this limitation, we present Easy2Hard-Bench, a consistently formatted collection of 6 benchmark datasets spanning various domains, such as mathematics and programming problems, chess puzzles, and reasoning questions. Each problem within these datasets is annotated with numerical difficulty scores. To systematically estimate problem difficulties, we collect abundant performance data on attempts to each problem by humans in the real world or LLMs on the prominent leaderboard. Leveraging the rich performance data, we apply well-established difficulty ranking systems, such as Item Response Theory (IRT) and Glicko-2 models, to uniformly assign numerical difficulty scores to problems. Moreover, datasets in Easy2Hard-Bench distinguish themselves from previous collections by a higher proportion of challenging problems. Through extensive experiments with six state-of-the-art LLMs, we provide a comprehensive analysis of their performance and generalization capabilities across varying levels of difficulty, with the aim of inspiring future research in LLM generalization. The datasets are available at https://huggingface.co/datasets/furonghuang-lab/Easy2Hard-Bench.

Solving Olympiad-level mathematical problems represents a significant advancement in machine intelligence and automated reasoning. Current machine learning methods, however, struggle to solve Olympiad-level problems beyond Euclidean plane geometry due to a lack of large-scale, high-quality datasets. The challenge is even greater in algebraic systems, which involve infinite reasoning spaces within finite conditions. To address these issues, we propose AIPS, an Algebraic Inequality Proving System capable of autonomously generating complex inequality theorems and effectively solving Olympiad-level inequality problems without requiring human demonstrations. During proof search in a mixed reasoning manner, a value curriculum learning strategy on generated datasets is implemented to improve proving performance, demonstrating strong mathematical intuitions. On a test set of 20 International Mathematical Olympiad-level inequality problems, AIPS successfully solved 10, outperforming state-of-the-art methods. Furthermore, AIPS automatically generated a vast array of non-trivial theorems without human intervention, some of which have been evaluated by professional contestants and deemed to reach the level of the International Mathematical Olympiad. Notably, one theorem was selected as a competition problem in a major city 2024 Mathematical Olympiad.

In the field of Computer Science, conference and workshop papers serve as important contributions, carrying substantial weight in research assessment processes, compared to other disciplines. However, a considerable number of these papers are not assigned a Digital Object Identifier (DOI), hence their citations are not reported in widely used citation datasets like OpenCitations and Crossref, raising limitations to citation analysis. While the Microsoft Academic Graph (MAG) previously addressed this issue by providing substantial coverage, its discontinuation has created a void in available data. BIP! NDR aims to alleviate this issue and enhance the research assessment processes within the field of Computer Science. To accomplish this, it leverages a workflow that identifies and retrieves Open Science papers lacking DOIs from the DBLP Corpus, and by performing text analysis, it extracts citation information directly from their full text. The current version of the dataset contains more than 510K citations made by approximately 60K open access Computer Science conference or workshop papers that, according to DBLP, do not have a DOI.

For any given dimension d, all reflexive d-polytopes can be found (in principle) as subpolytopes of a number of maximal polyhedra that are defined in terms of (d+1)-tuples of integers (weights), or combinations of k-tuples of weights with k<d+1. We present the results of a complete classification of sextuples of weights pertaining to the construction of all reflexive polytopes in five dimensions. We find 322 383 760 930 such weight systems. 185 269 499 015 of them give rise directly to reflexive polytopes and thereby to mirror pairs of Calabi-Yau fourfolds. These lead to 532 600 483 distinct sets of Hodge numbers.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

Network binarization emerges as one of the most promising compression approaches offering extraordinary computation and memory savings by minimizing the bit-width. However, recent research has shown that applying existing binarization algorithms to diverse tasks, architectures, and hardware in realistic scenarios is still not straightforward. Common challenges of binarization, such as accuracy degradation and efficiency limitation, suggest that its attributes are not fully understood. To close this gap, we present BiBench, a rigorously designed benchmark with in-depth analysis for network binarization. We first carefully scrutinize the requirements of binarization in the actual production and define evaluation tracks and metrics for a comprehensive and fair investigation. Then, we evaluate and analyze a series of milestone binarization algorithms that function at the operator level and with extensive influence. Our benchmark reveals that 1) the binarized operator has a crucial impact on the performance and deployability of binarized networks; 2) the accuracy of binarization varies significantly across different learning tasks and neural architectures; 3) binarization has demonstrated promising efficiency potential on edge devices despite the limited hardware support. The results and analysis also lead to a promising paradigm for accurate and efficient binarization. We believe that BiBench will contribute to the broader adoption of binarization and serve as a foundation for future research. The code for our BiBench is released https://github.com/htqin/BiBench .

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

Let F_{k,d}(n) be the maximal size of a set {A}subseteq [n] such that the equation \[a_1a_2\dots a_k=x^d, \; a_1<a_2<\ldots<a_k\] has no solution with a_1,a_2,ldots,a_kA and integer x. Erdos, S\'ark\"ozy and T. S\'os studied F_{k,2}, and gave bounds when k=2,3,4,6 and also in the general case. We study the problem for d=3, and provide bounds for k=2,3,4,6 and 9, furthermore, in the general case, as well. In particular, we refute an 18 years old conjecture of Verstra\"ete. We also introduce another function f_{k,d} closely related to F_{k,d}: While the original problem requires a_1, ldots , a_k to all be distinct, we can relax this and only require that the multiset of the a_i's cannot be partitioned into d-tuples where each d-tuple consists of d copies of the same number.

We make two contributions in the field of AI fairness over continuous protected attributes. First, we show that the Hirschfeld-Gebelein-Renyi (HGR) indicator (the only one currently available for such a case) is valuable but subject to a few crucial limitations regarding semantics, interpretability, and robustness. Second, we introduce a family of indicators that are: 1) complementary to HGR in terms of semantics; 2) fully interpretable and transparent; 3) robust over finite samples; 4) configurable to suit specific applications. Our approach also allows us to define fine-grained constraints to permit certain types of dependence and forbid others selectively. By expanding the available options for continuous protected attributes, our approach represents a significant contribution to the area of fair artificial intelligence.

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.

The Bernays-Sch\"onfinkel first-order logic fragment over simple linear real arithmetic constraints BS(SLR) is known to be decidable. We prove that BS(SLR) clause sets with both universally and existentially quantified verification conditions (conjectures) can be translated into BS(SLR) clause sets over a finite set of first-order constants. For the Horn case, we provide a Datalog hammer preserving validity and satisfiability. A toolchain from the BS(LRA) prover SPASS-SPL to the Datalog reasoner VLog establishes an effective way of deciding verification conditions in the Horn fragment. This is exemplified by the verification of supervisor code for a lane change assistant in a car and of an electronic control unit for a supercharged combustion engine.

There is growing interest in utilizing large language models (LLMs) as co-pilots for combinatorial optimization and constraint programming tasks across various problems. This paper aims to advance this line of research by introducing Text2Zinc}, a cross-domain dataset for capturing optimization and satisfaction problems specified in natural language text. Our work is distinguished from previous attempts by integrating both satisfaction and optimization problems within a unified dataset using a solver-agnostic modeling language. To achieve this, we leverage MiniZinc's solver-and-paradigm-agnostic modeling capabilities to formulate these problems. Using the Text2Zinc dataset, we conduct comprehensive baseline experiments to compare execution and solution accuracy across several methods, including off-the-shelf prompting strategies, chain-of-thought reasoning, and a compositional approach. Additionally, we explore the effectiveness of intermediary representations, specifically knowledge graphs. Our findings indicate that LLMs are not yet a push-button technology to model combinatorial problems from text. We hope that Text2Zinc serves as a valuable resource for researchers and practitioners to advance the field further.

Large Language Models (LLMs) excel in natural language tasks but still face challenges in Question Answering (QA) tasks requiring complex, multi-step reasoning. We outline the types of reasoning required in some of these tasks, and reframe them in terms of meta-level reasoning (akin to high-level strategic reasoning or planning) and object-level reasoning (embodied in lower-level tasks such as mathematical reasoning). Franklin, a novel dataset with requirements of meta- and object-level reasoning, is introduced and used along with three other datasets to evaluate four LLMs at question answering tasks requiring multiple steps of reasoning. Results from human annotation studies suggest LLMs demonstrate meta-level reasoning with high frequency, but struggle with object-level reasoning tasks in some of the datasets used. Additionally, evidence suggests that LLMs find the object-level reasoning required for the questions in the Franklin dataset challenging, yet they do exhibit strong performance with respect to the meta-level reasoning requirements.

This paper investigates the mathematical reasoning capabilities of large language models (LLMs) using 50 newly constructed high-school-level word problems. Unlike prior studies that focus solely on answer correctness, we rigorously analyze both final answers and solution steps to identify reasoning failures. Evaluating eight state-of-the-art models - including Mixtral, Llama, Gemini, GPT-4o, and OpenAI's o1 variants - we find that while newer models (e.g., o3-mini, deepseek-r1) achieve higher accuracy, all models exhibit errors in spatial reasoning, strategic planning, and arithmetic, sometimes producing correct answers through flawed logic. Common failure modes include unwarranted assumptions, over-reliance on numerical patterns, and difficulty translating physical intuition into mathematical steps. Manual analysis reveals that models struggle with problems requiring multi-step deduction or real-world knowledge, despite possessing broad mathematical knowledge. Our results underscore the importance of evaluating reasoning processes, not just answers, and caution against overestimating LLMs' problem-solving proficiency. The study highlights persistent gaps in LLMs' generalization abilities, emphasizing the need for targeted improvements in structured reasoning and constraint handling.

The role of hidden units in recurrent neural networks is typically seen as modeling memory, with research focusing on enhancing information retention through gating mechanisms. A less explored perspective views hidden units as active participants in the computation performed by the network, rather than passive memory stores. In this work, we revisit bi-linear operations, which involve multiplicative interactions between hidden units and input embeddings. We demonstrate theoretically and empirically that they constitute a natural inductive bias for representing the evolution of hidden states in state tracking tasks. These are the simplest type of task that require hidden units to actively contribute to the behavior of the network. We also show that bi-linear state updates form a natural hierarchy corresponding to state tracking tasks of increasing complexity, with popular linear recurrent networks such as Mamba residing at the lowest-complexity center of that hierarchy.

Large Language Models (LLMs) have achieved remarkable success in code generation, and the race to improve their performance has become a central focus of AI research. Benchmarks and leaderboards are increasingly popular, offering quantitative rankings of LLMs. However, they provide limited insight into the tasks that LLMs consistently fail to solve - information that is crucial for understanding current limitations and guiding the development of more capable models. To address this gap, we examined code generation tasks across four popular benchmarks, identifying those that major LLMs are most likely to fail. To understand the causes of these failures, we investigated whether the static complexity of solution code contributes to them, followed by a systematic inspection of 114 tasks that LLMs consistently struggled with. Our analysis revealed four recurring patterns of weaknesses in LLMs, as well as common complications within benchmark tasks that most often lead to failure.

Automated math word problem solvers based on neural networks have successfully managed to obtain 70-80\% accuracy in solving arithmetic word problems. However, it has been shown that these solvers may rely on superficial patterns to obtain their equations. In order to determine what information math word problem solvers use to generate solutions, we remove parts of the input and measure the model's performance on the perturbed dataset. Our results show that the model is not sensitive to the removal of many words from the input and can still manage to find a correct answer when given a nonsense question. This indicates that automatic solvers do not follow the semantic logic of math word problems, and may be overfitting to the presence of specific words.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

Large Language Models (LLMs) have exhibited exceptional performance across a broad range of tasks and domains. However, they still encounter difficulties in solving mathematical problems due to the rigorous and logical nature of mathematics. Previous studies have employed techniques such as supervised fine-tuning (SFT), prompt engineering, and search-based methods to improve the mathematical problem-solving abilities of LLMs. Despite these efforts, their performance remains suboptimal and demands substantial computational resources. To address this issue, we propose a novel approach, BEATS, to enhance mathematical problem-solving abilities. Our method leverages newly designed prompts that guide the model to iteratively rewrite, advance by one step, and generate answers based on previous steps. Additionally, we introduce a new back-verification technique that uses LLMs to validate the correctness of the generated answers. Furthermore, we employ a pruning tree search to optimize search time while achieving strong performance. Notably, our method improves Qwen2-7b-Instruct's score from 36.94 to 61.52, outperforming GPT4's 42.5 on the MATH benchmark.

Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training that then guides important design decisions during the search. However, a significant drawback of these methods is their heavy reliance on offline training, which requires collecting training datasets and computationally costly training epochs yet offering only limited generalization to unseen (larger) instances. In this paper, we propose Balans, an adaptive meta-solver for MIPs with online learning capability that does not require any supervision or apriori training. At its core, Balans is based on adaptive large-neighborhood search, operating on top of an MIP solver by successive applications of destroy and repair neighborhood operators. During the search, the selection among different neighborhood definitions is guided on the fly for the instance at hand via multi-armed bandit algorithms. Our extensive experiments on hard optimization instances show that Balans offers significant performance gains over the default MIP solver, is better than committing to any single best neighborhood, and improves over the state-of-the-art large-neighborhood search for MIPs. Finally, we release Balans as a highly configurable, MIP solver agnostic, open-source software.

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.

This systematic review explores the application of Large Language Models (LLMs) in Combinatorial Optimization (CO). We report our findings using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We conduct a literature search via Scopus and Google Scholar, examining over 2,000 publications. We assess publications against four inclusion and four exclusion criteria related to their language, research focus, publication year, and type. Eventually, we select 103 studies. We classify these studies into semantic categories and topics to provide a comprehensive overview of the field, including the tasks performed by LLMs, the architectures of LLMs, the existing datasets specifically designed for evaluating LLMs in CO, and the field of application. Finally, we identify future directions for leveraging LLMs in this field.

In this study, we introduce an innovative deep learning framework that employs a transformer model to address the challenges of mixed-integer programs, specifically focusing on the Capacitated Lot Sizing Problem (CLSP). Our approach, to our knowledge, is the first to utilize transformers to predict the binary variables of a mixed-integer programming (MIP) problem. Specifically, our approach harnesses the encoder decoder transformer's ability to process sequential data, making it well-suited for predicting binary variables indicating production setup decisions in each period of the CLSP. This problem is inherently dynamic, and we need to handle sequential decision making under constraints. We present an efficient algorithm in which CLSP solutions are learned through a transformer neural network. The proposed post-processed transformer algorithm surpasses the state-of-the-art solver, CPLEX and Long Short-Term Memory (LSTM) in solution time, optimal gap, and percent infeasibility over 240K benchmark CLSP instances tested. After the ML model is trained, conducting inference on the model, reduces the MIP into a linear program (LP). This transforms the ML-based algorithm, combined with an LP solver, into a polynomial-time approximation algorithm to solve a well-known NP-Hard problem, with almost perfect solution quality.

With the advent of Transformers, large language models (LLMs) have saturated well-known NLP benchmarks and leaderboards with high aggregate performance. However, many times these models systematically fail on tail data or rare groups not obvious in aggregate evaluation. Identifying such problematic data groups is even more challenging when there are no explicit labels (e.g., ethnicity, gender, etc.) and further compounded for NLP datasets due to the lack of visual features to characterize failure modes (e.g., Asian males, animals indoors, waterbirds on land, etc.). This paper introduces an interactive Systematic Error Analysis and Labeling (\seal) tool that uses a two-step approach to first identify high error slices of data and then, in the second step, introduce methods to give human-understandable semantics to those underperforming slices. We explore a variety of methods for coming up with coherent semantics for the error groups using language models for semantic labeling and a text-to-image model for generating visual features. SEAL toolkit and demo screencast is available at https://huggingface.co/spaces/nazneen/seal.

Large Reasoning Models (LRMs) have shown impressive capabilities in complex problem-solving, often benefiting from training on difficult mathematical problems that stimulate intricate reasoning. Recent efforts have explored automated synthesis of mathematical problems by prompting proprietary models or large-scale open-source models from seed data or inherent mathematical concepts. However, scaling up these methods remains challenging due to their high computational/API cost, complexity of prompting, and limited difficulty level of the generated problems. To overcome these limitations, we propose ScaleDiff, a simple yet effective pipeline designed to scale the creation of difficult problems. We efficiently identify difficult problems from existing datasets with only a single forward pass using an adaptive thinking model, which can perceive problem difficulty and automatically switch between "Thinking" and "NoThinking" modes. We then train a specialized difficult problem generator (DiffGen-8B) on this filtered difficult data, which can produce new difficult problems in large scale, eliminating the need for complex, per-instance prompting and its associated high API costs. Fine-tuning Qwen2.5-Math-7B-Instruct on the ScaleDiff-Math dataset yields a substantial performance increase of 11.3% compared to the original dataset and achieves a 65.9% average accuracy on AIME'24, AIME'25, HMMT-Feb'25, BRUMO'25, and MATH500, outperforming recent strong LRMs like OpenThinker3. Notably, this performance is achieved using the cost-efficient Qwen3-8B model as a teacher, demonstrating that our pipeline can effectively transfer advanced reasoning capabilities without relying on larger, more expensive teacher models. Furthermore, we observe a clear scaling phenomenon in model performance on difficult benchmarks as the quantity of difficult problems increases. Code: https://github.com/QizhiPei/ScaleDiff.

Clustering is an unsupervised learning problem that aims to partition unlabelled data points into groups with similar features. Traditional clustering algorithms provide limited insight into the groups they find as their main focus is accuracy and not the interpretability of the group assignments. This has spurred a recent line of work on explainable machine learning for clustering. In this paper we focus on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing polyhedra around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs simply sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.

Large Language Models (LLMs) went from non-existent to ubiquitous in the machine learning discourse within a few years. Due to the fast pace of the field, it is difficult to identify the remaining challenges and already fruitful application areas. In this paper, we aim to establish a systematic set of open problems and application successes so that ML researchers can comprehend the field's current state more quickly and become productive.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

Recent supervised fine-tuning (SFT) approaches have significantly improved language models' performance on mathematical reasoning tasks, even when models are trained at a small scale. However, the specific capabilities enhanced through such fine-tuning remain poorly understood. In this paper, we conduct a detailed analysis of model performance on the AIME24 dataset to understand how reasoning capabilities evolve. We discover a ladder-like structure in problem difficulty, categorize questions into four tiers (Easy, Medium, Hard, and Extremely Hard (Exh)), and identify the specific requirements for advancing between tiers. We find that progression from Easy to Medium tier requires adopting an R1 reasoning style with minimal SFT (500-1K instances), while Hard-level questions suffer from frequent model's errors at each step of the reasoning chain, with accuracy plateauing at around 65% despite logarithmic scaling. Exh-level questions present a fundamentally different challenge; they require unconventional problem-solving skills that current models uniformly struggle with. Additional findings reveal that carefully curated small-scale datasets offer limited advantage-scaling dataset size proves far more effective. Our analysis provides a clearer roadmap for advancing language model capabilities in mathematical reasoning.

Enabling Large Language Models (LLMs) to handle a wider range of complex tasks (e.g., coding, math) has drawn great attention from many researchers. As LLMs continue to evolve, merely increasing the number of model parameters yields diminishing performance improvements and heavy computational costs. Recently, OpenAI's o1 model has shown that inference strategies (i.e., Test-time Compute methods) can also significantly enhance the reasoning capabilities of LLMs. However, the mechanisms behind these methods are still unexplored. In our work, to investigate the reasoning patterns of o1, we compare o1 with existing Test-time Compute methods (BoN, Step-wise BoN, Agent Workflow, and Self-Refine) by using OpenAI's GPT-4o as a backbone on general reasoning benchmarks in three domains (i.e., math, coding, commonsense reasoning). Specifically, first, our experiments show that the o1 model has achieved the best performance on most datasets. Second, as for the methods of searching diverse responses (e.g., BoN), we find the reward models' capability and the search space both limit the upper boundary of these methods. Third, as for the methods that break the problem into many sub-problems, the Agent Workflow has achieved better performance than Step-wise BoN due to the domain-specific system prompt for planning better reasoning processes. Fourth, it is worth mentioning that we have summarized six reasoning patterns of o1, and provided a detailed analysis on several reasoning benchmarks.

Proving geometric theorems constitutes a hallmark of visual reasoning combining both intuitive and logical skills. Therefore, automated theorem proving of Olympiad-level geometry problems is considered a notable milestone in human-level automated reasoning. The introduction of AlphaGeometry, a neuro-symbolic model trained with 100 million synthetic samples, marked a major breakthrough. It solved 25 of 30 International Mathematical Olympiad (IMO) problems whereas the reported baseline based on Wu's method solved only ten. In this note, we revisit the IMO-AG-30 Challenge introduced with AlphaGeometry, and find that Wu's method is surprisingly strong. Wu's method alone can solve 15 problems, and some of them are not solved by any of the other methods. This leads to two key findings: (i) Combining Wu's method with the classic synthetic methods of deductive databases and angle, ratio, and distance chasing solves 21 out of 30 methods by just using a CPU-only laptop with a time limit of 5 minutes per problem. Essentially, this classic method solves just 4 problems less than AlphaGeometry and establishes the first fully symbolic baseline strong enough to rival the performance of an IMO silver medalist. (ii) Wu's method even solves 2 of the 5 problems that AlphaGeometry failed to solve. Thus, by combining AlphaGeometry with Wu's method we set a new state-of-the-art for automated theorem proving on IMO-AG-30, solving 27 out of 30 problems, the first AI method which outperforms an IMO gold medalist.

The increasing adoption and commercialization of generalized Large Language Models (LLMs) have profoundly impacted various aspects of our daily lives. Initially embraced by the computer science community, the versatility of LLMs has found its way into diverse domains. In particular, the software engineering realm has witnessed the most transformative changes. With LLMs increasingly serving as AI Pair Programming Assistants spurred the development of specialized models aimed at aiding software engineers. Although this new paradigm offers numerous advantages, it also presents critical challenges and open problems. To identify the potential and prevailing obstacles, we systematically reviewed contemporary scholarly publications, emphasizing the perspectives of software developers and usability concerns. Preliminary findings underscore pressing concerns about data privacy, bias, and misinformation. Additionally, we identified several usability challenges, including prompt engineering, increased cognitive demands, and mistrust. Finally, we introduce 12 open problems that we have identified through our survey, covering these various domains.

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations research and mathematical optimization, which restricts non-experts' accessibility to MILP. To address this challenge, we propose a framework for automatically formulating MILP models from unstructured natural language descriptions of decision problems, which integrates Large Language Models (LLMs) and mathematical modeling techniques. This framework consists of three phases: i) identification of decision variables, ii) classification of objective and constraints, and iii) finally, generation of MILP models. In this study, we present a constraint classification scheme and a set of constraint templates that can guide the LLMs in synthesizing a complete MILP model. After fine-tuning LLMs, our approach can identify and synthesize logic constraints in addition to classic demand and resource constraints. The logic constraints have not been studied in existing work. To evaluate the performance of the proposed framework, we extend the NL4Opt dataset with more problem descriptions and constraint types, and with the new dataset, we compare our framework with one-step model generation methods offered by LLMs. The experimental results reveal that with respect to the accuracies of generating the correct model, objective, and constraints, our method which integrates constraint classification and templates with LLMs significantly outperforms the others. The prototype system that we developed has a great potential to capture more constraints for more complex MILPs. It opens up opportunities for developing training tools for operations research practitioners and has the potential to be a powerful tool for automatic decision problem modeling and solving in practice.

This paper presents the computational challenge on differential geometry and topology that happened within the ICLR 2021 workshop "Geometric and Topological Representation Learning". The competition asked participants to provide creative contributions to the fields of computational geometry and topology through the open-source repositories Geomstats and Giotto-TDA. The challenge attracted 16 teams in its two month duration. This paper describes the design of the challenge and summarizes its main findings.

Efficiently tackling combinatorial reasoning problems, particularly the notorious NP-hard tasks, remains a significant challenge for AI research. Recent efforts have sought to enhance planning by incorporating hierarchical high-level search strategies, known as subgoal methods. While promising, their performance against traditional low-level planners is inconsistent, raising questions about their application contexts. In this study, we conduct an in-depth exploration of subgoal-planning methods for combinatorial reasoning. We identify the attributes pivotal for leveraging the advantages of high-level search: hard-to-learn value functions, complex action spaces, presence of dead ends in the environment, or using data collected from diverse experts. We propose a consistent evaluation methodology to achieve meaningful comparisons between methods and reevaluate the state-of-the-art algorithms.

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

A simple communication complexity argument proves that no one-layer transformer can solve the induction heads task unless its size is exponentially larger than the size sufficient for a two-layer transformer.

Recent advancements in Large Vision-Language Models (LVLMs) have significantly enhanced their ability to integrate visual and linguistic information, achieving near-human proficiency in tasks like object recognition, captioning, and visual question answering. However, current benchmarks typically focus on knowledge-centric evaluations that assess domain-specific expertise, often neglecting the core ability to reason about fundamental mathematical elements and visual concepts. We identify a gap in evaluating elementary-level math problems, which rely on explicit visual dependencies-requiring models to discern, integrate, and reason across multiple images while incorporating commonsense knowledge, all of which are crucial for advancing toward broader AGI capabilities. To address this gap, we introduce VCBENCH, a comprehensive benchmark for multimodal mathematical reasoning with explicit visual dependencies. VCBENCH includes 1,720 problems across six cognitive domains, featuring 6,697 images (averaging 3.9 per question) to ensure multi-image reasoning. We evaluate 26 state-of-the-art LVLMs on VCBENCH, revealing substantial performance disparities, with even the top models unable to exceed 50% accuracy. Our findings highlight the ongoing challenges in visual-mathematical integration and suggest avenues for future LVLM advancements.

Solving math story problems is a complex task for students and NLP models alike, requiring them to understand the world as described in the story and reason over it to compute an answer. Recent years have seen impressive performance on automatically solving these problems with large pre-trained language models and innovative techniques to prompt them. However, it remains unclear if these models possess accurate representations of mathematical concepts. This leads to lack of interpretability and trustworthiness which impedes their usefulness in various applications. In this paper, we consolidate previous work on categorizing and representing math story problems and develop MathWorld, which is a graph-based semantic formalism specific for the domain of math story problems. With MathWorld, we can assign world models to math story problems which represent the situations and actions introduced in the text and their mathematical relationships. We combine math story problems from several existing datasets and annotate a corpus of 1,019 problems and 3,204 logical forms with MathWorld. Using this data, we demonstrate the following use cases of MathWorld: (1) prompting language models with synthetically generated question-answer pairs to probe their reasoning and world modeling abilities, and (2) generating new problems by using the world models as a design space.

Explainable Artificial Intelligence (XAI) has experienced a significant growth over the last few years. This is due to the widespread application of machine learning, particularly deep learning, that has led to the development of highly accurate models but lack explainability and interpretability. A plethora of methods to tackle this problem have been proposed, developed and tested. This systematic review contributes to the body of knowledge by clustering these methods with a hierarchical classification system with four main clusters: review articles, theories and notions, methods and their evaluation. It also summarises the state-of-the-art in XAI and recommends future research directions.

Recent advances in Hierarchical Multi-label Classification (HMC), particularly neurosymbolic-based approaches, have demonstrated improved consistency and accuracy by enforcing constraints on a neural model during training. However, such work assumes the existence of such constraints a-priori. In this paper, we relax this strong assumption and present an approach based on Error Detection Rules (EDR) that allow for learning explainable rules about the failure modes of machine learning models. We show that these rules are not only effective in detecting when a machine learning classifier has made an error but also can be leveraged as constraints for HMC, thereby allowing the recovery of explainable constraints even if they are not provided. We show that our approach is effective in detecting machine learning errors and recovering constraints, is noise tolerant, and can function as a source of knowledge for neurosymbolic models on multiple datasets, including a newly introduced military vehicle recognition dataset.

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research.

Algorithm configuration (AC) is concerned with the automated search of the most suitable parameter configuration of a parametrized algorithm. There is currently a wide variety of AC problem variants and methods proposed in the literature. Existing reviews do not take into account all derivatives of the AC problem, nor do they offer a complete classification scheme. To this end, we introduce taxonomies to describe the AC problem and features of configuration methods, respectively. We review existing AC literature within the lens of our taxonomies, outline relevant design choices of configuration approaches, contrast methods and problem variants against each other, and describe the state of AC in industry. Finally, our review provides researchers and practitioners with a look at future research directions in the field of AC.

The drive for predictable LLM reasoning in their integration with compound systems has popularized structured outputs, yet concerns remain about performance trade-offs compared to unconstrained natural language. At the same time, training on unconstrained Chain of Thought (CoT) traces has brought about a new class of strong reasoning models that nevertheless present novel compute budget and faithfulness challenges. This paper introduces iSelf-Discover, an instance-level adaptation of the Self-Discover framework, and using it compares dynamically generated structured JSON reasoning with its unstructured counterpart. Our empirical evaluation across diverse benchmarks using state-of-the-art open-source models supports a consistent advantage for unstructured reasoning. Notably, on the complex MATH benchmark, unstructured plans achieved relative performance improvements of up to 18.90\% over structured approaches. Zero-shot unstructured iSelf-Discover variants are also shown to outperform their five-shot structured counterparts, underscoring the significance of this gap, even when structured plans are dynamically generated to ensure reasoning precedes the final answer. We further demonstrate that the optimal granularity of plan generation (instance-level vs. task-level) is context-dependent. These findings invite re-evaluation of the reliance on structured formats for complex problem-solving and how compound systems should be organized.

Human cognition exhibits systematic compositionality, the algebraic ability to generate infinite novel combinations from finite learned components, which is the key to understanding and reasoning about complex logic. In this work, we investigate the compositionality of large language models (LLMs) in mathematical reasoning. Specifically, we construct a new dataset MathTrap by introducing carefully designed logical traps into the problem descriptions of MATH and GSM8K. Since problems with logical flaws are quite rare in the real world, these represent "unseen" cases to LLMs. Solving these requires the models to systematically compose (1) the mathematical knowledge involved in the original problems with (2) knowledge related to the introduced traps. Our experiments show that while LLMs possess both components of requisite knowledge, they do not spontaneously combine them to handle these novel cases. We explore several methods to mitigate this deficiency, such as natural language prompts, few-shot demonstrations, and fine-tuning. Additionally, we test the recently released OpenAI o1 model and find that human-like `slow thinking' helps improve the compositionality of LLMs. Overall, systematic compositionality remains an open challenge for large language models.

We study the depth of grade-school math (GSM) problem-solving capabilities of LLMs. To this end, we evaluate their performance on pairs of existing math word problems together so that the answer to the second problem depends on correctly answering the first problem. Our findings reveal a significant reasoning gap in most LLMs, that is performance difference between solving the compositional pairs and solving each question independently. This gap is more pronounced in smaller, more cost-efficient, and math-specialized models. Moreover, instruction-tuning recipes and code generation have varying effects across LLM sizes, while finetuning on GSM can lead to task overfitting. Our analysis indicates that large reasoning gaps are not because of test-set leakage, but due to distraction from additional context and poor second-hop reasoning. Overall, LLMs exhibit systematic differences in their reasoning abilities, despite what their performance on standard benchmarks indicates.

Prompting methods such as Chain-of-Thought (CoT) have shed new light on enhancing the reasoning capabilities of large language models, and researchers have extensively explored the generation process of rationales and answers. However, they have overlooked the potential challenges posed by the poor quality of reasoning problems, which may influence the reasoning performance significantly. In this work, we propose Self-Polish (SP), a novel method that facilitates the model's problem-solving process by prompting them to progressively refine the given problems to be more comprehensible and solvable. Specifically, the method teaches models to eliminate irrelevant information, rearrange the logic structure and organize local conditions into new ones parallelly. SP is orthogonal to all other prompting methods, making it convenient to integrate with state-of-the-art techniques for further improvement. We conduct thorough experiments on five benchmarks to illustrate the effectiveness of the proposed method. For example, with Text-davinci-003, our method boosts the performance of standard few-shot prompting by 8.0% on GSM8K and 17.8% on MultiArith; it also improves the performance of CoT by 6.0% on GSM8K and 6.0% on MathQA, respectively. Furthermore, our method also showcases impressive performance on robustness evaluation.

Bongard Problems (BPs) provide a challenging testbed for abstract visual reasoning (AVR), requiring models to identify visual concepts fromjust a few examples and describe them in natural language. Early BP benchmarks featured synthetic black-and-white drawings, which might not fully capture the complexity of real-world scenes. Subsequent BP datasets employed real-world images, albeit the represented concepts are identifiable from high-level image features, reducing the task complexity. Differently, the recently released Bongard-RWR dataset aimed at representing abstract concepts formulated in the original BPs using fine-grained real-world images. Its manual construction, however, limited the dataset size to just 60 instances, constraining evaluation robustness. In this work, we introduce Bongard-RWR+, a BP dataset composed of 5,400 instances that represent original BP abstract concepts using real-world-like images generated via a vision language model (VLM) pipeline. Building on Bongard-RWR, we employ Pixtral-12B to describe manually curated images and generate new descriptions aligned with the underlying concepts, use Flux.1-dev to synthesize images from these descriptions, and manually verify that the generated images faithfully reflect the intended concepts. We evaluate state-of-the-art VLMs across diverse BP formulations, including binary and multiclass classification, as well as textual answer generation. Our findings reveal that while VLMs can recognize coarse-grained visual concepts, they consistently struggle with discerning fine-grained concepts, highlighting limitations in their reasoning capabilities.

Chain-of-Thought (CoT) reasoning has emerged as a promising approach for enhancing the performance of large language models (LLMs) on complex reasoning tasks. Recently, a series of studies attempt to explain the mechanisms underlying CoT, aiming to deepen the understanding of its efficacy. Nevertheless, the existing research faces two major challenges: (1) a lack of quantitative metrics to assess CoT capabilities and (2) a dearth of guidance on optimizing CoT performance. Motivated by this, in this work, we introduce a novel reasoning boundary framework (RBF) to address these challenges. To solve the lack of quantification, we first define a reasoning boundary (RB) to quantify the upper-bound of CoT and establish a combination law for RB, enabling a practical quantitative approach applicable to various real-world CoT tasks. To address the lack of optimization, we propose three categories of RBs. We further optimize these categories with combination laws focused on RB promotion and reasoning path optimization for CoT improvement. Through extensive experiments on 27 models and 5 tasks, the study validates the existence and rationality of the proposed framework. Furthermore, it explains the effectiveness of 10 CoT strategies and guides optimization from two perspectives. We hope this work can provide a comprehensive understanding of the boundaries and optimization strategies for reasoning in LLMs. Our code and data are available at https://github.com/LightChen233/reasoning-boundary.

Large language models (LLMs) have achieved impressive performance across various mathematical reasoning benchmarks. However, there are increasing debates regarding whether these models truly understand and apply mathematical knowledge or merely rely on shortcuts for mathematical reasoning. One essential and frequently occurring evidence is that when the math questions are slightly changed, LLMs can behave incorrectly. This motivates us to evaluate the robustness of LLMs' math reasoning capability by testing a wide range of question variations. We introduce the adversarial grade school math (\datasetname) dataset, an extension of GSM8K augmented with various mathematical perturbations. Our experiments on 25 LLMs and 4 prompting techniques show that while LLMs exhibit different levels of math reasoning abilities, their performances are far from robust. In particular, even for problems that have been solved in GSM8K, LLMs can make mistakes when new statements are added or the question targets are altered. We also explore whether more robust performance can be achieved by composing existing prompting methods, in which we try an iterative method that generates and verifies each intermediate thought based on its reasoning goal and calculation result. Code and data are available at https://github.com/qtli/GSM-Plus.

Many intellectual endeavors require mathematical problem solving, but this skill remains beyond the capabilities of computers. To measure this ability in machine learning models, we introduce MATH, a new dataset of 12,500 challenging competition mathematics problems. Each problem in MATH has a full step-by-step solution which can be used to teach models to generate answer derivations and explanations. To facilitate future research and increase accuracy on MATH, we also contribute a large auxiliary pretraining dataset which helps teach models the fundamentals of mathematics. Even though we are able to increase accuracy on MATH, our results show that accuracy remains relatively low, even with enormous Transformer models. Moreover, we find that simply increasing budgets and model parameter counts will be impractical for achieving strong mathematical reasoning if scaling trends continue. While scaling Transformers is automatically solving most other text-based tasks, scaling is not currently solving MATH. To have more traction on mathematical problem solving we will likely need new algorithmic advancements from the broader research community.

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought processes. XAI allows users and parts of the internal system to be more transparent, providing explanations of their decisions in some level of detail. These explanations are important to ensure algorithmic fairness, identify potential bias/problems in the training data, and to ensure that the algorithms perform as expected. However, explanations produced by these systems is neither standardized nor systematically assessed. In an effort to create best practices and identify open challenges, we provide our definition of explainability and show how it can be used to classify existing literature. We discuss why current approaches to explanatory methods especially for deep neural networks are insufficient. Finally, based on our survey, we conclude with suggested future research directions for explanatory artificial intelligence.

We present a Spades bidding algorithm that is superior to recreational human players and to publicly available bots. Like in Bridge, the game of Spades is composed of two independent phases, bidding and playing. This paper focuses on the bidding algorithm, since this phase holds a precise challenge: based on the input, choose the bid that maximizes the agent's winning probability. Our Bidding-in-Spades (BIS) algorithm heuristically determines the bidding strategy by comparing the expected utility of each possible bid. A major challenge is how to estimate these expected utilities. To this end, we propose a set of domain-specific heuristics, and then correct them via machine learning using data from real-world players. The \BIS algorithm we present can be attached to any playing algorithm. It beats rule-based bidding bots when all use the same playing component. When combined with a rule-based playing algorithm, it is superior to the average recreational human.

There has been a rapidly growing interest in Automatic Symptom Detection (ASD) and Automatic Diagnosis (AD) systems in the machine learning research literature, aiming to assist doctors in telemedicine services. These systems are designed to interact with patients, collect evidence about their symptoms and relevant antecedents, and possibly make predictions about the underlying diseases. Doctors would review the interactions, including the evidence and the predictions, collect if necessary additional information from patients, before deciding on next steps. Despite recent progress in this area, an important piece of doctors' interactions with patients is missing in the design of these systems, namely the differential diagnosis. Its absence is largely due to the lack of datasets that include such information for models to train on. In this work, we present a large-scale synthetic dataset of roughly 1.3 million patients that includes a differential diagnosis, along with the ground truth pathology, symptoms and antecedents for each patient. Unlike existing datasets which only contain binary symptoms and antecedents, this dataset also contains categorical and multi-choice symptoms and antecedents useful for efficient data collection. Moreover, some symptoms are organized in a hierarchy, making it possible to design systems able to interact with patients in a logical way. As a proof-of-concept, we extend two existing AD and ASD systems to incorporate the differential diagnosis, and provide empirical evidence that using differentials as training signals is essential for the efficiency of such systems or for helping doctors better understand the reasoning of those systems.

The one-dimensional J_1-J_2 q-state Potts model is solved exactly for arbitrary q, based on using OpenAI's latest reasoning model o3-mini-high to exactly solve the q=3 case. The exact results provide insights to outstanding physical problems such as the stacking of atomic or electronic orders in layered materials and the formation of a T_c-dome-shaped phase often seen in unconventional superconductors. The work is anticipated to fuel both the research in one-dimensional frustrated magnets for recently discovered finite-temperature application potentials and the fast moving topic area of AI for sciences.

In this paper, we study the problem of establishing the accountability and fairness of transparent machine learning models through monotonicity. Although there have been numerous studies on individual monotonicity, pairwise monotonicity is often overlooked in the existing literature. This paper studies transparent neural networks in the presence of three types of monotonicity: individual monotonicity, weak pairwise monotonicity, and strong pairwise monotonicity. As a means of achieving monotonicity while maintaining transparency, we propose the monotonic groves of neural additive models. As a result of empirical examples, we demonstrate that monotonicity is often violated in practice and that monotonic groves of neural additive models are transparent, accountable, and fair.

The availability of performant pre-trained models has led to a proliferation of fine-tuned expert models that are specialized to a particular domain or task. Model MoErging methods aim to recycle expert models to create an aggregate system with improved performance or generalization. A key component of MoErging methods is the creation of a router that decides which expert model(s) to use for a particular input or application. The promise, effectiveness, and large design space of MoErging has spurred the development of many new methods over the past few years. This rapid pace of development has made it challenging to compare different MoErging methods, which are rarely compared to one another and are often validated in different experimental setups. To remedy such gaps, we present a comprehensive survey of MoErging methods that includes a novel taxonomy for cataloging key design choices and clarifying suitable applications for each method. Apart from surveying MoErging research, we inventory software tools and applications that make use of MoErging. We additionally discuss related fields of study such as model merging, multitask learning, and mixture-of-experts models. Taken as a whole, our survey provides a unified overview of existing MoErging methods and creates a solid foundation for future work in this burgeoning field.

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.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

Modeling and estimating mixed memberships for overlapping unipartite un-weighted networks has been well studied in recent years. However, to our knowledge, there is no model for a more general case, the overlapping bipartite weighted networks. To close this gap, we introduce a novel model, the Bipartite Mixed Membership Distribution-Free (BiMMDF) model. Our model allows an adjacency matrix to follow any distribution as long as its expectation has a block structure related to node membership. In particular, BiMMDF can model overlapping bipartite signed networks and it is an extension of many previous models, including the popular mixed membership stochastic blcokmodels. An efficient algorithm with a theoretical guarantee of consistent estimation is applied to fit BiMMDF. We then obtain the separation conditions of BiMMDF for different distributions. Furthermore, we also consider missing edges for sparse networks. The advantage of BiMMDF is demonstrated in extensive synthetic networks and eight real-world networks.

Large language models (LLMs) are increasingly deployed in everyday applications, demanding robust general reasoning capabilities and diverse reasoning skillset. However, current LLM reasoning benchmarks predominantly focus on mathematical and coding abilities, leaving a gap in evaluating broader reasoning proficiencies. One particular exception is the BIG-Bench dataset, which has served as a crucial benchmark for evaluating the general reasoning capabilities of LLMs, thanks to its diverse set of challenging tasks that allowed for a comprehensive assessment of general reasoning across various skills within a unified framework. However, recent advances in LLMs have led to saturation on BIG-Bench, and its harder version BIG-Bench Hard (BBH). State-of-the-art models achieve near-perfect scores on many tasks in BBH, thus diminishing its utility. To address this limitation, we introduce BIG-Bench Extra Hard (BBEH), a new benchmark designed to push the boundaries of LLM reasoning evaluation. BBEH replaces each task in BBH with a novel task that probes a similar reasoning capability but exhibits significantly increased difficulty. We evaluate various models on BBEH and observe a (harmonic) average accuracy of 9.8\% for the best general-purpose model and 44.8\% for the best reasoning-specialized model, indicating substantial room for improvement and highlighting the ongoing challenge of achieving robust general reasoning in LLMs. We release BBEH publicly at: https://github.com/google-deepmind/bbeh.

Large language models (LLMs) have recently been shown to deliver impressive performance in various NLP tasks. To tackle multi-step reasoning tasks, few-shot chain-of-thought (CoT) prompting includes a few manually crafted step-by-step reasoning demonstrations which enable LLMs to explicitly generate reasoning steps and improve their reasoning task accuracy. To eliminate the manual effort, Zero-shot-CoT concatenates the target problem statement with "Let's think step by step" as an input prompt to LLMs. Despite the success of Zero-shot-CoT, it still suffers from three pitfalls: calculation errors, missing-step errors, and semantic misunderstanding errors. To address the missing-step errors, we propose Plan-and-Solve (PS) Prompting. It consists of two components: first, devising a plan to divide the entire task into smaller subtasks, and then carrying out the subtasks according to the plan. To address the calculation errors and improve the quality of generated reasoning steps, we extend PS prompting with more detailed instructions and derive PS+ prompting. We evaluate our proposed prompting strategy on ten datasets across three reasoning problems. The experimental results over GPT-3 show that our proposed zero-shot prompting consistently outperforms Zero-shot-CoT across all datasets by a large margin, is comparable to or exceeds Zero-shot-Program-of-Thought Prompting, and has comparable performance with 8-shot CoT prompting on the math reasoning problem. The code can be found at https://github.com/AGI-Edgerunners/Plan-and-Solve-Prompting.

Given a matrix Min R^{mtimes n}, the low rank matrix completion problem asks us to find a rank-k approximation of M as UV^top for Uin R^{mtimes k} and Vin R^{ntimes k} by only observing a few entries specified by a set of entries Omegasubseteq [m]times [n]. In particular, we examine an approach that is widely used in practice -- the alternating minimization framework. Jain, Netrapalli and Sanghavi~jns13 showed that if M has incoherent rows and columns, then alternating minimization provably recovers the matrix M by observing a nearly linear in n number of entries. While the sample complexity has been subsequently improved~glz17, alternating minimization steps are required to be computed exactly. This hinders the development of more efficient algorithms and fails to depict the practical implementation of alternating minimization, where the updates are usually performed approximately in favor of efficiency. In this paper, we take a major step towards a more efficient and error-robust alternating minimization framework. To this end, we develop an analytical framework for alternating minimization that can tolerate moderate amount of errors caused by approximate updates. Moreover, our algorithm runs in time widetilde O(|Omega| k), which is nearly linear in the time to verify the solution while preserving the sample complexity. This improves upon all prior known alternating minimization approaches which require widetilde O(|Omega| k^2) time.

Pretrained language models have shown superior performance on many natural language processing tasks, yet they still struggle at multi-step formal reasoning tasks like grade school math problems. One key challenge of finetuning them to solve such math reasoning problems is that many existing datasets only contain one reference solution for each problem, despite the fact that there are often alternative solutions resembling different reasoning paths to the final answer. This way, the finetuned models are biased towards the limited reference solutions, which limits their generalization to unseen examples. To mitigate this issue, we propose to let the model perform sampling during training and learn from both self-sampled fully-correct solutions, which yield the correct answer upon execution, and partially-correct solutions, whose intermediate state matches an intermediate state of a known correct solution. We show that our use of self-sampled correct and partially-correct solutions can benefit learning and help guide the sampling process, leading to more efficient exploration of the solution space. Additionally, we explore various training objectives to support learning from multiple solutions per example and find they greatly affect the performance. Experiments on two math reasoning datasets show the effectiveness of our method compared to learning from a single reference solution with MLE, where we improve PASS@100 from 35.5% to 44.5% for GSM8K, and 27.6% to 36.2% PASS@80 for MathQA. Such improvements are also consistent across different model sizes. Our code is available at https://github.com/microsoft/TraceCodegen.

We explore the AI2050 "hard problems" that block the promise of AI and cause AI risks: (1) developing general capabilities of the systems; (2) assuring the performance of AI systems and their training processes; (3) aligning system goals with human goals; (4) enabling great applications of AI in real life; (5) addressing economic disruptions; (6) ensuring the participation of all; (7) at the same time ensuring socially responsible deployment; (8) addressing any geopolitical disruptions that AI causes; (9) promoting sound governance of the technology; and (10) managing the philosophical disruptions for humans living in the age of AI. For each problem, we outline the area, identify significant recent work, and suggest ways forward. [Note: this paper reviews literature through January 2023.]

Can you find an xy-equation that, when graphed, writes itself on the plane? This idea became internet-famous when a Wikipedia article on Tupper's self-referential formula went viral in 2012. Under scrutiny, the question has two flaws: it is meaningless (it depends on typography) and it is trivial (for reasons we will explain). We fix these flaws by formalizing the problem, and we give a very general solution using techniques from computability theory.

Motivated by the operational problems in click and collect systems, such as curbside pickup programs, we study a joint admission control and capacity allocation problem. We consider a system where arriving customers have preferred service delivery times and gauge the service quality based on the service provider's ability to complete the service as close as possible to the preferred time. Customers can be of different priority classes, and their priority may increase as they wait longer in the queue. The service provider can reject customers upon their arrival if the system is overloaded or outsource the service (alternatively work overtime) when the capacity is not enough. The service provider's goal is to find the minimum-cost admission and capacity allocation policy to dynamically decide when to serve and whom to serve. We model this problem as a Markov Decision Process. Our structural results partially characterize a set of suboptimal solutions, and we develop solution methods using these results. We also develop a problem-specific approximation method that is based on state aggregation to overcome the computational challenges. We present extensive computational results and discuss the impact of problem parameters on the optimal policy.

This paper introduces the novel task of multimodal puzzle solving, framed within the context of visual question-answering. We present a new dataset, AlgoPuzzleVQA designed to challenge and evaluate the capabilities of multimodal language models in solving algorithmic puzzles that necessitate both visual understanding, language understanding, and complex algorithmic reasoning. We create the puzzles to encompass a diverse array of mathematical and algorithmic topics such as boolean logic, combinatorics, graph theory, optimization, search, etc., aiming to evaluate the gap between visual data interpretation and algorithmic problem-solving skills. The dataset is generated automatically from code authored by humans. All our puzzles have exact solutions that can be found from the algorithm without tedious human calculations. It ensures that our dataset can be scaled up arbitrarily in terms of reasoning complexity and dataset size. Our investigation reveals that large language models (LLMs) such as GPT4V and Gemini exhibit limited performance in puzzle-solving tasks. We find that their performance is near random in a multi-choice question-answering setup for a significant number of puzzles. The findings emphasize the challenges of integrating visual, language, and algorithmic knowledge for solving complex reasoning problems.

Tables have gained significant attention in large language models (LLMs) and multimodal large language models (MLLMs) due to their complex and flexible structure. Unlike linear text inputs, tables are two-dimensional, encompassing formats that range from well-structured database tables to complex, multi-layered spreadsheets, each with different purposes. This diversity in format and purpose has led to the development of specialized methods and tasks, instead of universal approaches, making navigation of table understanding tasks challenging. To address these challenges, this paper introduces key concepts through a taxonomy of tabular input representations and an introduction of table understanding tasks. We highlight several critical gaps in the field that indicate the need for further research: (1) the predominance of retrieval-focused tasks that require minimal reasoning beyond mathematical and logical operations; (2) significant challenges faced by models when processing complex table structures, large-scale tables, length context, or multi-table scenarios; and (3) the limited generalization of models across different tabular representations and formats.

We study a fair allocation problem of indivisible items under additive externalities in which each agent also receives values from items that are assigned to other agents. We propose several new fairness concepts. We extend the well-studied envy-freeness up to one item (EF1) and envy-freeness up to any item (EFX) to this setting, and we propose a new fairness concept called general fair share (GFS). We undertake a detailed study and present algorithms for finding fair allocations.

Business intelligence (BI) is any knowledge derived from existing data that may be strategically applied within a business. Data mining is a technique or method for extracting BI from data using statistical data modeling. Finding relationships or correlations between the various data items that have been collected can be used to boost business performance or at the very least better comprehend what is going on. Root cause analysis (RCA) is discovering the root causes of problems or events to identify appropriate solutions. RCA can show why an event occurred and this can help in avoiding occurrences of an issue in the future. This paper proposes a new clustering + association rule mining pipeline for getting business insights from data. The results of this pipeline are in the form of association rules having consequents, antecedents, and various metrics to evaluate these rules. The results of this pipeline can help in anchoring important business decisions and can also be used by data scientists for updating existing models or while developing new ones. The occurrence of any event is explained by its antecedents in the generated rules. Hence this output can also help in data-driven root cause analysis.

The rapidly-developing intersection of machine learning (ML) with high-energy physics (HEP) presents both opportunities and challenges to our community. Far beyond applications of standard ML tools to HEP problems, genuinely new and potentially revolutionary approaches are being developed by a generation of talent literate in both fields. There is an urgent need to support the needs of the interdisciplinary community driving these developments, including funding dedicated research at the intersection of the two fields, investing in high-performance computing at universities and tailoring allocation policies to support this work, developing of community tools and standards, and providing education and career paths for young researchers attracted by the intellectual vitality of machine learning for high energy physics.

We introduce a new challenge to test the STEM skills of neural models. The problems in the real world often require solutions, combining knowledge from STEM (science, technology, engineering, and math). Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information of STEM. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and GPT-3.5-Turbo to our benchmark. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community.

Designing solutions for complex engineering challenges is crucial in human production activities. However, previous research in the retrieval-augmented generation (RAG) field has not sufficiently addressed tasks related to the design of complex engineering solutions. To fill this gap, we introduce a new benchmark, SolutionBench, to evaluate a system's ability to generate complete and feasible solutions for engineering problems with multiple complex constraints. To further advance the design of complex engineering solutions, we propose a novel system, SolutionRAG, that leverages the tree-based exploration and bi-point thinking mechanism to generate reliable solutions. Extensive experimental results demonstrate that SolutionRAG achieves state-of-the-art (SOTA) performance on the SolutionBench, highlighting its potential to enhance the automation and reliability of complex engineering solution design in real-world applications.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.