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Jul 1

Diffusion Tree Sampling: Scalable inference-time alignment of diffusion models

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS^star), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to 10times less compute. In text-to-image generation and language completion tasks, DTS^star effectively searches for high reward samples that match best-of-N with up to 5times less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

  • 4 authors
·
Jun 25, 2025

View-based Explanations for Graph Neural Networks

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing explanations for specific class labels of interest, and may return explanation structures that are hard to access, nor directly queryable.We propose GVEX, a novel paradigm that generates Graph Views for EXplanation. (1) We design a two-tier explanation structure called explanation views. An explanation view consists of a set of graph patterns and a set of induced explanation subgraphs. Given a database G of multiple graphs and a specific class label l assigned by a GNN-based classifier M, it concisely describes the fraction of G that best explains why l is assigned by M. (2) We propose quality measures and formulate an optimization problem to compute optimal explanation views for GNN explanation. We show that the problem is Σ^2_P-hard. (3) We present two algorithms. The first one follows an explain-and-summarize strategy that first generates high-quality explanation subgraphs which best explain GNNs in terms of feature influence maximization, and then performs a summarization step to generate patterns. We show that this strategy provides an approximation ratio of 1/2. Our second algorithm performs a single-pass to an input node stream in batches to incrementally maintain explanation views, having an anytime quality guarantee of 1/4 approximation. Using real-world benchmark data, we experimentally demonstrate the effectiveness, efficiency, and scalability of GVEX. Through case studies, we showcase the practical applications of GVEX.

  • 6 authors
·
Jan 4, 2024

Optimizing Anytime Reasoning via Budget Relative Policy Optimization

Scaling test-time compute is crucial for enhancing the reasoning capabilities of large language models (LLMs). Existing approaches typically employ reinforcement learning (RL) to maximize a verifiable reward obtained at the end of reasoning traces. However, such methods optimize only the final performance under a large and fixed token budget, which hinders efficiency in both training and deployment. In this work, we present a novel framework, AnytimeReasoner, to optimize anytime reasoning performance, which aims to improve token efficiency and the flexibility of reasoning under varying token budget constraints. To achieve this, we truncate the complete thinking process to fit within sampled token budgets from a prior distribution, compelling the model to summarize the optimal answer for each truncated thinking for verification. This introduces verifiable dense rewards into the reasoning process, facilitating more effective credit assignment in RL optimization. We then optimize the thinking and summary policies in a decoupled manner to maximize the cumulative reward. Additionally, we introduce a novel variance reduction technique, Budget Relative Policy Optimization (BRPO), to enhance the robustness and efficiency of the learning process when reinforcing the thinking policy. Empirical results in mathematical reasoning tasks demonstrate that our method consistently outperforms GRPO across all thinking budgets under various prior distributions, enhancing both training and token efficiency.

  • 6 authors
·
May 19, 2025 2

New Philosopher Inequalities for Online Bayesian Matching, via Pivotal Sampling

We study the polynomial-time approximability of the optimal online stochastic bipartite matching algorithm, initiated by Papadimitriou et al. (EC'21). Here, nodes on one side of the graph are given upfront, while at each time t, an online node and its edge weights are drawn from a time-dependent distribution. The optimal algorithm is PSPACE-hard to approximate within some universal constant. We refer to this optimal algorithm, which requires time to think (compute), as a philosopher, and refer to polynomial-time online approximations of the above as philosopher inequalities. The best known philosopher inequality for online matching yields a 0.652-approximation. In contrast, the best possible prophet inequality, or approximation of the optimum offline solution, is 0.5. Our main results are a 0.678-approximate algorithm and a 0.685-approximation for a vertex-weighted special case. Notably, both bounds exceed the 0.666-approximation of the offline optimum obtained by Tang, Wu, and Wu (STOC'22) for the vertex-weighted problem. Building on our algorithms and the recent black-box reduction of Banihashem et al. (SODA'24), we provide polytime (pricing-based) truthful mechanisms which 0.678-approximate the social welfare of the optimal online allocation for bipartite matching markets. Our online allocation algorithm relies on the classic pivotal sampling algorithm (Srinivasan FOCS'01, Gandhi et al. J.ACM'06), along with careful discarding to obtain negative correlations between offline nodes. Consequently, the analysis boils down to examining the distribution of a weighted sum X of negatively correlated Bernoulli variables, specifically lower bounding its mass below a threshold, E[min(1,X)], of possible independent interest. Interestingly, our bound relies on an imaginary invocation of pivotal sampling.

  • 5 authors
·
Jul 21, 2024

AlphaResearch: Accelerating New Algorithm Discovery with Language Models

Large language models have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present AlphaResearch, an autonomous research agent designed to discover new algorithms on open-ended problems. To synergize the feasibility and innovation of the discovery process, we construct a novel dual research environment by combining the execution-based verify and simulated real-world peer review environment. AlphaResearch discovers new algorithm by iteratively running the following steps: (1) propose new ideas (2) verify the ideas in the dual research environment (3) optimize the research proposals for better performance. To promote a transparent evaluation process, we construct AlphaResearchComp, a new evaluation benchmark that includes an eight open-ended algorithmic problems competition, with each problem carefully curated and verified through executable pipelines, objective metrics, and reproducibility checks. AlphaResearch gets a 2/8 win rate in head-to-head comparison with human researchers, demonstrate the possibility of accelerating algorithm discovery with LLMs. Notably, the algorithm discovered by AlphaResearch on the ``packing circles'' problem achieves the best-of-known performance, surpassing the results of human researchers and strong baselines from recent work (e.g., AlphaEvolve). Additionally, we conduct a comprehensive analysis of the remaining challenges of the 6/8 failure cases, providing valuable insights for future research.

  • 6 authors
·
Nov 11, 2025 2

Online Bidding Algorithms for Return-on-Spend Constrained Advertisers

Online advertising has recently grown into a highly competitive and complex multi-billion-dollar industry, with advertisers bidding for ad slots at large scales and high frequencies. This has resulted in a growing need for efficient "auto-bidding" algorithms that determine the bids for incoming queries to maximize advertisers' targets subject to their specified constraints. This work explores efficient online algorithms for a single value-maximizing advertiser under an increasingly popular constraint: Return-on-Spend (RoS). We quantify efficiency in terms of regret relative to the optimal algorithm, which knows all queries a priori. We contribute a simple online algorithm that achieves near-optimal regret in expectation while always respecting the specified RoS constraint when the input sequence of queries are i.i.d. samples from some distribution. We also integrate our results with the previous work of Balseiro, Lu, and Mirrokni [BLM20] to achieve near-optimal regret while respecting both RoS and fixed budget constraints. Our algorithm follows the primal-dual framework and uses online mirror descent (OMD) for the dual updates. However, we need to use a non-canonical setup of OMD, and therefore the classic low-regret guarantee of OMD, which is for the adversarial setting in online learning, no longer holds. Nonetheless, in our case and more generally where low-regret dynamics are applied in algorithm design, the gradients encountered by OMD can be far from adversarial but influenced by our algorithmic choices. We exploit this key insight to show our OMD setup achieves low regret in the realm of our algorithm.

  • 3 authors
·
Jul 2, 2023

UniCoder: Scaling Code Large Language Model via Universal Code

Intermediate reasoning or acting steps have successfully improved large language models (LLMs) for handling various downstream natural language processing (NLP) tasks. When applying LLMs for code generation, recent works mainly focus on directing the models to articulate intermediate natural-language reasoning steps, as in chain-of-thought (CoT) prompting, and then output code with the natural language or other structured intermediate steps. However, such output is not suitable for code translation or generation tasks since the standard CoT has different logical structures and forms of expression with the code. In this work, we introduce the universal code (UniCode) as the intermediate representation. It is a description of algorithm steps using a mix of conventions of programming languages, such as assignment operator, conditional operator, and loop. Hence, we collect an instruction dataset UniCoder-Instruct to train our model UniCoder on multi-task learning objectives. UniCoder-Instruct comprises natural-language questions, code solutions, and the corresponding universal code. The alignment between the intermediate universal code representation and the final code solution significantly improves the quality of the generated code. The experimental results demonstrate that UniCoder with the universal code significantly outperforms the previous prompting methods by a large margin, showcasing the effectiveness of the structural clues in pseudo-code.

  • 9 authors
·
Jun 24, 2024

GOAT: GO to Any Thing

In deployment scenarios such as homes and warehouses, mobile robots are expected to autonomously navigate for extended periods, seamlessly executing tasks articulated in terms that are intuitively understandable by human operators. We present GO To Any Thing (GOAT), a universal navigation system capable of tackling these requirements with three key features: a) Multimodal: it can tackle goals specified via category labels, target images, and language descriptions, b) Lifelong: it benefits from its past experience in the same environment, and c) Platform Agnostic: it can be quickly deployed on robots with different embodiments. GOAT is made possible through a modular system design and a continually augmented instance-aware semantic memory that keeps track of the appearance of objects from different viewpoints in addition to category-level semantics. This enables GOAT to distinguish between different instances of the same category to enable navigation to targets specified by images and language descriptions. In experimental comparisons spanning over 90 hours in 9 different homes consisting of 675 goals selected across 200+ different object instances, we find GOAT achieves an overall success rate of 83%, surpassing previous methods and ablations by 32% (absolute improvement). GOAT improves with experience in the environment, from a 60% success rate at the first goal to a 90% success after exploration. In addition, we demonstrate that GOAT can readily be applied to downstream tasks such as pick and place and social navigation.

  • 13 authors
·
Nov 10, 2023 2

The Predicted-Updates Dynamic Model: Offline, Incremental, and Decremental to Fully Dynamic Transformations

We formulate the predicted-updates dynamic model, one of the first beyond-worst-case models for dynamic algorithms, which generalizes a large set of well-studied dynamic models including the offline dynamic, incremental, and decremental models to the fully dynamic setting when given predictions about the update times of the elements. In the most basic form of our model, we receive a set of predicted update times for all of the updates that occur over the event horizon. We give a novel framework that "lifts" offline divide-and-conquer algorithms into the fully dynamic setting with little overhead. Using this, we are able to interpolate between the offline and fully dynamic settings; when the ell_1 error of the prediction is linear in the number of updates, we achieve the offline runtime of the algorithm (up to poly log n factors). Provided a fully dynamic backstop algorithm, our algorithm will never do worse than the backstop algorithm regardless of the prediction error. Furthermore, our framework achieves a smooth linear trade-off between ell_1 error in the predictions and runtime. These correspond to the desiderata of consistency, robustness, and graceful degradation of the algorithms-with-predictions literature. We further extend our techniques to incremental and decremental settings, transforming algorithms in these settings when given predictions of only the deletion and insertion times, respectively. Our framework is general, and we apply it to obtain improved efficiency bounds over the state-of-the-art dynamic algorithms for a variety of problems including triconnectivity, planar digraph all pairs shortest paths, k-edge connectivity, and others, for prediction error of reasonable magnitude.

  • 2 authors
·
Jul 17, 2023

Sampling-based Algorithms for Optimal Motion Planning

During the last decade, sampling-based path planning algorithms, such as Probabilistic RoadMaps (PRM) and Rapidly-exploring Random Trees (RRT), have been shown to work well in practice and possess theoretical guarantees such as probabilistic completeness. However, little effort has been devoted to the formal analysis of the quality of the solution returned by such algorithms, e.g., as a function of the number of samples. The purpose of this paper is to fill this gap, by rigorously analyzing the asymptotic behavior of the cost of the solution returned by stochastic sampling-based algorithms as the number of samples increases. A number of negative results are provided, characterizing existing algorithms, e.g., showing that, under mild technical conditions, the cost of the solution returned by broadly used sampling-based algorithms converges almost surely to a non-optimal value. The main contribution of the paper is the introduction of new algorithms, namely, PRM* and RRT*, which are provably asymptotically optimal, i.e., such that the cost of the returned solution converges almost surely to the optimum. Moreover, it is shown that the computational complexity of the new algorithms is within a constant factor of that of their probabilistically complete (but not asymptotically optimal) counterparts. The analysis in this paper hinges on novel connections between stochastic sampling-based path planning algorithms and the theory of random geometric graphs.

  • 2 authors
·
May 4, 2011

Dynamic Constrained Submodular Optimization with Polylogarithmic Update Time

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.

  • 6 authors
·
May 24, 2023

Toward Generalist Autonomous Research via Hypothesis-Tree Refinement

Scientific progress depends on a repeated loop of exploration, experimentation, and abstraction. Researchers test candidate directions, interpret the evidence, and carry the resulting lessons into later attempts. We study how an AI agent can run this loop autonomously over long horizons. We introduce Arbor, a general framework for autonomous research that combines a long-lived coordinator, short-lived executors, and Hypothesis Tree Refinement (HTR), a persistent tree that links hypotheses, artifacts, evidence, and distilled insights across time. The coordinator manages global research strategy over the tree, while executors implement and test individual hypotheses in isolated worktrees. As results return, Arbor updates the tree, propagates reusable lessons, refines the search frontier, and admits verified improvements. This design turns autonomous research from a sequence of local attempts into a cumulative process in which strategy, execution, and evidence are carried across time. We evaluate Arbor under Autonomous Optimization (AO), an operational setting where an agent improves an initial research artifact through iterative experimentation without step-level human supervision. Across six real research tasks in model training, harness engineering, and data synthesis, Arbor achieves the best held-out result on all six tasks, attaining more than 2.5x the average relative held-out gain of Codex and Claude Code under the same task interface and resource budget. On MLE-Bench Lite, Arbor reaches 86.36% Any Medal with GPT-5.5, the strongest result in our comparison.

Darwin Godel Machine: Open-Ended Evolution of Self-Improving Agents

Today's AI systems have human-designed, fixed architectures and cannot autonomously and continuously improve themselves. The advance of AI could itself be automated. If done safely, that would accelerate AI development and allow us to reap its benefits much sooner. Meta-learning can automate the discovery of novel algorithms, but is limited by first-order improvements and the human design of a suitable search space. The G\"odel machine proposed a theoretical alternative: a self-improving AI that repeatedly modifies itself in a provably beneficial manner. Unfortunately, proving that most changes are net beneficial is impossible in practice. We introduce the Darwin G\"odel Machine (DGM), a self-improving system that iteratively modifies its own code (thereby also improving its ability to modify its own codebase) and empirically validates each change using coding benchmarks. Inspired by Darwinian evolution and open-endedness research, the DGM maintains an archive of generated coding agents. It grows the archive by sampling an agent from it and using a foundation model to create a new, interesting, version of the sampled agent. This open-ended exploration forms a growing tree of diverse, high-quality agents and allows the parallel exploration of many different paths through the search space. Empirically, the DGM automatically improves its coding capabilities (e.g., better code editing tools, long-context window management, peer-review mechanisms), increasing performance on SWE-bench from 20.0% to 50.0%, and on Polyglot from 14.2% to 30.7%. Furthermore, the DGM significantly outperforms baselines without self-improvement or open-ended exploration. All experiments were done with safety precautions (e.g., sandboxing, human oversight). The DGM is a significant step toward self-improving AI, capable of gathering its own stepping stones along paths that unfold into endless innovation.

  • 5 authors
·
May 28, 2025 4

On Penalty Methods for Nonconvex Bilevel Optimization and First-Order Stochastic Approximation

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.

  • 4 authors
·
Sep 4, 2023

The Role of Vertex Consistency in Sampling-based Algorithms for Optimal Motion Planning

Motion planning problems have been studied by both the robotics and the controls research communities for a long time, and many algorithms have been developed for their solution. Among them, incremental sampling-based motion planning algorithms, such as the Rapidly-exploring Random Trees (RRTs), and the Probabilistic Road Maps (PRMs) have become very popular recently, owing to their implementation simplicity and their advantages in handling high-dimensional problems. Although these algorithms work very well in practice, the quality of the computed solution is often not good, i.e., the solution can be far from the optimal one. A recent variation of RRT, namely the RRT* algorithm, bypasses this drawback of the traditional RRT algorithm, by ensuring asymptotic optimality as the number of samples tends to infinity. Nonetheless, the convergence rate to the optimal solution may still be slow. This paper presents a new incremental sampling-based motion planning algorithm based on Rapidly-exploring Random Graphs (RRG), denoted RRT# (RRT "sharp") which also guarantees asymptotic optimality but, in addition, it also ensures that the constructed spanning tree of the geometric graph is consistent after each iteration. In consistent trees, the vertices which have the potential to be part of the optimal solution have the minimum cost-come-value. This implies that the best possible solution is readily computed if there are some vertices in the current graph that are already in the goal region. Numerical results compare with the RRT* algorithm.

  • 2 authors
·
Apr 28, 2012

Prompt Codebooks: Discrete Compositional Optimization for Language Model Instruction Refinement

Automatic prompt optimization (APO) has driven significant gains in LLM-based agentic workflows. However, existing methods treat each task's prompt as a monolithic, instance-blind string optimized through global edits, producing brittle updates and preventing the reuse of learned sub-behaviors. We propose Prompt Codebooks (PCO), a novel compositional prompt optimization framework that recasts APO as discrete learning over a finite vocabulary of natural-language instincts - atomic, reusable instruction units. PCO organizes prompt-construction knowledge in a discrete codebook and routes each input to a small subset of entries via an LLM-based encoder; a generator composes them into a prompt for the frozen target model; a critic emits a structured verdict that decomposes by attribution into per-variable textual gradients, jointly training the encoder, generator, and codebook under a language-valued min-max objective. The resulting routing is per-instance: different inputs in the same task receive different instinct compositions, a regime structurally inexpressible under instance-blind methods. Across six benchmarks on Qwen3-8B and LLaMA-3.1-8B, PCO improves over zero-shot by up to +30.36 points, surpasses the strongest prior baseline (GEPA) by +3.34 on HotpotQA and +1.11 in aggregate, and reduces deployed prompt length by up to 14.1x versus MIPROv2 and 3.0x versus GEPA using only K=16 instincts.

  • 3 authors
·
May 26

Trace Anything: Representing Any Video in 4D via Trajectory Fields

Effective spatio-temporal representation is fundamental to modeling, understanding, and predicting dynamics in videos. The atomic unit of a video, the pixel, traces a continuous 3D trajectory over time, serving as the primitive element of dynamics. Based on this principle, we propose representing any video as a Trajectory Field: a dense mapping that assigns a continuous 3D trajectory function of time to each pixel in every frame. With this representation, we introduce Trace Anything, a neural network that predicts the entire trajectory field in a single feed-forward pass. Specifically, for each pixel in each frame, our model predicts a set of control points that parameterizes a trajectory (i.e., a B-spline), yielding its 3D position at arbitrary query time instants. We trained the Trace Anything model on large-scale 4D data, including data from our new platform, and our experiments demonstrate that: (i) Trace Anything achieves state-of-the-art performance on our new benchmark for trajectory field estimation and performs competitively on established point-tracking benchmarks; (ii) it offers significant efficiency gains thanks to its one-pass paradigm, without requiring iterative optimization or auxiliary estimators; and (iii) it exhibits emergent abilities, including goal-conditioned manipulation, motion forecasting, and spatio-temporal fusion. Project page: https://trace-anything.github.io/.

ByteDance-Seed ByteDance Seed
·
Oct 15, 2025 2

OMNI-EPIC: Open-endedness via Models of human Notions of Interestingness with Environments Programmed in Code

Open-ended and AI-generating algorithms aim to continuously generate and solve increasingly complex tasks indefinitely, offering a promising path toward more general intelligence. To accomplish this grand vision, learning must occur within a vast array of potential tasks. Existing approaches to automatically generating environments are constrained within manually predefined, often narrow distributions of environment, limiting their ability to create any learning environment. To address this limitation, we introduce a novel framework, OMNI-EPIC, that augments previous work in Open-endedness via Models of human Notions of Interestingness (OMNI) with Environments Programmed in Code (EPIC). OMNI-EPIC leverages foundation models to autonomously generate code specifying the next learnable (i.e., not too easy or difficult for the agent's current skill set) and interesting (e.g., worthwhile and novel) tasks. OMNI-EPIC generates both environments (e.g., an obstacle course) and reward functions (e.g., progress through the obstacle course quickly without touching red objects), enabling it, in principle, to create any simulatable learning task. We showcase the explosive creativity of OMNI-EPIC, which continuously innovates to suggest new, interesting learning challenges. We also highlight how OMNI-EPIC can adapt to reinforcement learning agents' learning progress, generating tasks that are of suitable difficulty. Overall, OMNI-EPIC can endlessly create learnable and interesting environments, further propelling the development of self-improving AI systems and AI-Generating Algorithms. Project website with videos: https://dub.sh/omniepic

  • 4 authors
·
May 24, 2024

Discovering Heuristics with Large Language Models (LLMs) for Mixed-Integer Programs: Single-Machine Scheduling

Our study contributes to the scheduling and combinatorial optimization literature with new heuristics discovered by leveraging the power of Large Language Models (LLMs). We focus on the single-machine total tardiness (SMTT) problem, which aims to minimize total tardiness by sequencing n jobs on a single processor without preemption, given processing times and due dates. We develop and benchmark two novel LLM-discovered heuristics, the EDD Challenger (EDDC) and MDD Challenger (MDDC), inspired by the well-known Earliest Due Date (EDD) and Modified Due Date (MDD) rules. In contrast to prior studies that employed simpler rule-based heuristics, we evaluate our LLM-discovered algorithms using rigorous criteria, including optimality gaps and solution time derived from a mixed-integer programming (MIP) formulation of SMTT. We compare their performance against state-of-the-art heuristics and exact methods across various job sizes (20, 100, 200, and 500 jobs). For instances with more than 100 jobs, exact methods such as MIP and dynamic programming become computationally intractable. Up to 500 jobs, EDDC improves upon the classic EDD rule and another widely used algorithm in the literature. MDDC consistently outperforms traditional heuristics and remains competitive with exact approaches, particularly on larger and more complex instances. This study shows that human-LLM collaboration can produce scalable, high-performing heuristics for NP-hard constrained combinatorial optimization, even under limited resources when effectively configured.

  • 4 authors
·
Oct 27, 2025

Autonomous Tree-search Ability of Large Language Models

Large Language Models have excelled in remarkable reasoning capabilities with advanced prompting techniques, but they fall short on tasks that require exploration, strategic foresight, and sequential decision-making. Recent works propose to utilize external programs to define search logic, such that LLMs can perform passive tree search to solve more challenging reasoning tasks. Though impressive results have been achieved, there are several fundamental limitations of these approaches. First, passive tree searches are not efficient as they usually require multiple rounds of LLM API calls to solve one single problem. Moreover, passive search methods are not flexible since they need task-specific program designs. Then a natural question arises: can we maintain the tree-search capability of LLMs without the aid of external programs, and can still generate responses that clearly demonstrate the process of a tree-structure search? To this end, we propose a new concept called autonomous tree-search ability of LLM, which can automatically generate a response containing search trajectories for the correct answer. Concretely, we perform search trajectories using capable LLM API via a fixed system prompt, allowing them to perform autonomous tree-search (ATS) right out of the box. Experiments on 4 puzzle games demonstrate our method can achieve huge improvements. The ATS-BFS method outperforms the Chain of Thought approach by achieving an average accuracy improvement of 33%. Compared to Tree of Thoughts, it requires 65.6% or 47.7% less GPT-api cost to attain a comparable level of accuracy. Moreover, we have collected data using the ATS prompt method and fine-tuned LLaMA. This approach yield a greater improvement compared to the ones fine-tuned on CoT data. Specifically, it outperforms CoT-tuned LLaMAs by an average of 40.6% and 38.5% for LLaMA2-7B and LLaMA2-13B, respectively.

  • 4 authors
·
Oct 14, 2023

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

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

  • 3 authors
·
Feb 23, 2025

Search over Self-Edit Strategies for LLM Adaptation

Many LLM-based open-ended search systems freeze the foundation model that proposes improvements to existing solutions, which may bottleneck long-run progress. Recent work has explored updating the proposal model at test time [arXiv:2511.23473], but the update strategy is still typically hand-specified. Therefore, this study investigated whether an LLM can use task feedback to decide how it should update its weights. For tractability, we focused on the simpler case where there is only one round of self-improvement, and restricted the update operator to self-supervised next token prediction (NTP), leaving the model freedom in choosing its training data and key NTP hyperparameters. Using the Self-Adapting Language Models (SEAL) [arXiv:2506.10943] framework as a testbed, we relaxed its fixed human template constraint and allowed the model to generate its own self-edit templates, thereby giving it more control over its training data and hyperparameters. Two variants were studied, differing in whether template generation was conditioned on a lightweight archive of past templates. In SEAL's Single-Passage Knowledge Incorporation setting with Qwen3-8B on SQuAD [arXiv:1606.05250], the no-archive variant performed comparably to the weaker "Implications" baseline, while the archive variant outperformed "Implications" and approached the strongest human-designed "Rewrite" baseline without surpassing it. Further analysis of collapse in the model's exploration revealed that a naive archive can confer some short-term robustness but can also accelerate homogenization, suggesting that explicit novelty pressure may be required to consistently advance beyond carefully optimized human strategies. Our code is available at https://github.com/cheongalc/search-self-edit-strategies .

  • 4 authors
·
Jan 19

AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

  • 10 authors
·
Dec 13, 2023

OMNI: Open-endedness via Models of human Notions of Interestingness

Open-ended algorithms aim to learn new, interesting behaviors forever. That requires a vast environment search space, but there are thus infinitely many possible tasks. Even after filtering for tasks the current agent can learn (i.e., learning progress), countless learnable yet uninteresting tasks remain (e.g., minor variations of previously learned tasks). An Achilles Heel of open-endedness research is the inability to quantify (and thus prioritize) tasks that are not just learnable, but also interesting (e.g., worthwhile and novel). We propose solving this problem by Open-endedness via Models of human Notions of Interestingness (OMNI). The insight is that we can utilize foundation models (FMs) as a model of interestingness (MoI), because they already internalize human concepts of interestingness from training on vast amounts of human-generated data, where humans naturally write about what they find interesting or boring. We show that FM-based MoIs improve open-ended learning by focusing on tasks that are both learnable and interesting, outperforming baselines based on uniform task sampling or learning progress alone. This approach has the potential to dramatically advance the ability to intelligently select which tasks to focus on next (i.e., auto-curricula), and could be seen as AI selecting its own next task to learn, facilitating self-improving AI and AI-Generating Algorithms. Project website at https://www.jennyzhangzt.com/omni/

  • 4 authors
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Jun 2, 2023

Gym-Anything: Turn any Software into an Agent Environment

Computer-use agents hold the promise of assisting in a wide range of digital economic activities. However, current research has largely focused on short-horizon tasks over a limited set of software with limited economic value, such as basic e-commerce and OS-configuration tasks. A key reason is that creating environments for complex software requires significant time and human effort, and therefore does not scale. To address this, we introduce Gym-Anything, a framework for converting any software into an interactive computer-use environment. We frame environment creation itself as a multi-agent task: a coding agent writes setup scripts, downloads real-world data, and configures the software, while producing evidence of correct setup. An independent audit agent then verifies evidence for the environment setup against a quality checklist. Using a taxonomy of economically valuable occupations grounded in U.S. GDP data, we apply this pipeline to 200 software applications with broad occupational coverage. The result is CUA-World, a collection of over 10K long-horizon tasks spanning domains from medical science and astronomy to engineering and enterprise systems, each configured with realistic data along with train and test splits. CUA-World also includes CUA-World-Long, a challenging long-horizon benchmark with tasks often requiring over 500 steps, far exceeding existing benchmarks. Distilling successful trajectories from the training split into a 2B vision-language model outperforms models 2times its size. We also apply the same auditing principle at test time: a separate VLM reviews completed trajectories and provides feedback on what remains, improving Gemini-3-Flash on CUA-World-Long from 11.5% to 14.0%. We release all code, infrastructure, and benchmark data to facilitate future research in realistic computer-use agents.

  • 3 authors
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Apr 6

Constrained Optimization via Exact Augmented Lagrangian and Randomized Iterative Sketching

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

  • 4 authors
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May 28, 2023

Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

  • 4 authors
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Oct 3, 2023

Language Models as Compilers: Simulating Pseudocode Execution Improves Algorithmic Reasoning in Language Models

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for large language models (LLMs), even though they have demonstrated promising performance in other reasoning tasks. Within this context, some recent studies use programming languages (e.g., Python) to express the necessary logic for solving a given instance/question (e.g., Program-of-Thought) as inspired by their strict and precise syntaxes. However, it is non-trivial to write an executable code that expresses the correct logic on the fly within a single inference call. Also, the code generated specifically for an instance cannot be reused for others, even if they are from the same task and might require identical logic to solve. This paper presents Think-and-Execute, a novel framework that decomposes the reasoning process of language models into two steps. (1) In Think, we discover a task-level logic that is shared across all instances for solving a given task and then express the logic with pseudocode; (2) In Execute, we further tailor the generated pseudocode to each instance and simulate the execution of the code. With extensive experiments on seven algorithmic reasoning tasks, we demonstrate the effectiveness of Think-and-Execute. Our approach better improves LMs' reasoning compared to several strong baselines performing instance-specific reasoning (e.g., CoT and PoT), suggesting the helpfulness of discovering task-level logic. Also, we show that compared to natural language, pseudocode can better guide the reasoning of LMs, even though they are trained to follow natural language instructions.

  • 11 authors
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Apr 3, 2024 9

optimize_anything: A Universal API for Optimizing any Text Parameter

Can a single LLM-based optimization system match specialized tools across fundamentally different domains? We show that when optimization problems are formulated as improving a text artifact evaluated by a scoring function, a single AI-based optimization system-supporting single-task search, multi-task search with cross-problem transfer, and generalization to unseen inputs-achieves state-of-the-art results across six diverse tasks. Our system discovers agent architectures that nearly triple Gemini Flash's ARC-AGI accuracy (32.5% to 89.5%), finds scheduling algorithms that cut cloud costs by 40%, generates CUDA kernels where 87% match or beat PyTorch, and outperforms AlphaEvolve's reported circle packing solution (n=26). Ablations across three domains reveal that actionable side information yields faster convergence and substantially higher final scores than score-only feedback, and that multi-task search outperforms independent optimization given equivalent per-problem budget through cross-task transfer, with benefits scaling with the number of related tasks. Together, we show for the first time that text optimization with LLM-based search is a general-purpose problem-solving paradigm, unifying tasks traditionally requiring domain-specific algorithms under a single framework. We open-source optimize\_anything with support for multiple backends as part of the GEPA project at https://github.com/gepa-ai/gepa .

  • 14 authors
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May 18 1

Paired Open-Ended Trailblazer (POET): Endlessly Generating Increasingly Complex and Diverse Learning Environments and Their Solutions

While the history of machine learning so far largely encompasses a series of problems posed by researchers and algorithms that learn their solutions, an important question is whether the problems themselves can be generated by the algorithm at the same time as they are being solved. Such a process would in effect build its own diverse and expanding curricula, and the solutions to problems at various stages would become stepping stones towards solving even more challenging problems later in the process. The Paired Open-Ended Trailblazer (POET) algorithm introduced in this paper does just that: it pairs the generation of environmental challenges and the optimization of agents to solve those challenges. It simultaneously explores many different paths through the space of possible problems and solutions and, critically, allows these stepping-stone solutions to transfer between problems if better, catalyzing innovation. The term open-ended signifies the intriguing potential for algorithms like POET to continue to create novel and increasingly complex capabilities without bound. Our results show that POET produces a diverse range of sophisticated behaviors that solve a wide range of environmental challenges, many of which cannot be solved by direct optimization alone, or even through a direct-path curriculum-building control algorithm introduced to highlight the critical role of open-endedness in solving ambitious challenges. The ability to transfer solutions from one environment to another proves essential to unlocking the full potential of the system as a whole, demonstrating the unpredictable nature of fortuitous stepping stones. We hope that POET will inspire a new push towards open-ended discovery across many domains, where algorithms like POET can blaze a trail through their interesting possible manifestations and solutions.

  • 4 authors
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Jan 7, 2019

Making RL with Preference-based Feedback Efficient via Randomization

Reinforcement Learning algorithms that learn from human feedback (RLHF) need to be efficient in terms of statistical complexity, computational complexity, and query complexity. In this work, we consider the RLHF setting where the feedback is given in the format of preferences over pairs of trajectories. In the linear MDP model, using randomization in algorithm design, we present an algorithm that is sample efficient (i.e., has near-optimal worst-case regret bounds) and has polynomial running time (i.e., computational complexity is polynomial with respect to relevant parameters). Our algorithm further minimizes the query complexity through a novel randomized active learning procedure. In particular, our algorithm demonstrates a near-optimal tradeoff between the regret bound and the query complexity. To extend the results to more general nonlinear function approximation, we design a model-based randomized algorithm inspired by the idea of Thompson sampling. Our algorithm minimizes Bayesian regret bound and query complexity, again achieving a near-optimal tradeoff between these two quantities. Computation-wise, similar to the prior Thompson sampling algorithms under the regular RL setting, the main computation primitives of our algorithm are Bayesian supervised learning oracles which have been heavily investigated on the empirical side when applying Thompson sampling algorithms to RL benchmark problems.

  • 2 authors
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Oct 23, 2023

Who Drifted: the System or the Judge? Anytime-Valid Attribution in LLM Evaluation Pipelines

Continuous evaluation of LLM products relies on a strong LLM judge treated as ground truth: a cheap monitor scores every interaction and a team is paged when the score drifts down. But the judge is itself a model behind an API, and a silent version bump or scoring-prompt update changes how it scores -- so every drift alarm is ambiguous between a worse product and a changed judge. We resolve the ambiguity with a fixed, human-labeled anchor set that the current judge re-scores at a steady interleave, a second betting e-process on the judge-versus-human gap, and a guard-window rule returning a verdict in {none, system, judge}. We prove anytime-validity, one-way identification (only the judge can move the anchors), an attribution race whose design law is that the anchors must out-run the main process they guard, and process orthogonality. On two real judge changes, a silent version bump is detected as judge drift in 60/60 runs with zero judge-to-system misattribution, and a contaminating strict-prompt change is correctly attributed on 110 of 120 runs at guard width 300 -- while the industry-default rolling z-test false-alarms on 75% of drift-free streams. Every experiment replicates on a second domain (TL;DR summarization) with nothing re-tuned, and where the domains differ the differences are the ones the race predicts: the strict-prompt change shifts scores harder there, so the anchors fire faster and attribution becomes perfect (240/240). The monitor runs at approximately 0.64 of the cost of strong-judging every item, or 0.21 in a cheaper-but-deafer regime.

  • 1 authors
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Jun 12

Learning to Actively Learn: A Robust Approach

This work proposes a procedure for designing algorithms for specific adaptive data collection tasks like active learning and pure-exploration multi-armed bandits. Unlike the design of traditional adaptive algorithms that rely on concentration of measure and careful analysis to justify the correctness and sample complexity of the procedure, our adaptive algorithm is learned via adversarial training over equivalence classes of problems derived from information theoretic lower bounds. In particular, a single adaptive learning algorithm is learned that competes with the best adaptive algorithm learned for each equivalence class. Our procedure takes as input just the available queries, set of hypotheses, loss function, and total query budget. This is in contrast to existing meta-learning work that learns an adaptive algorithm relative to an explicit, user-defined subset or prior distribution over problems which can be challenging to define and be mismatched to the instance encountered at test time. This work is particularly focused on the regime when the total query budget is very small, such as a few dozen, which is much smaller than those budgets typically considered by theoretically derived algorithms. We perform synthetic experiments to justify the stability and effectiveness of the training procedure, and then evaluate the method on tasks derived from real data including a noisy 20 Questions game and a joke recommendation task.

  • 3 authors
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Oct 29, 2020

Stochastic Function Certification with Correlations

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

  • 3 authors
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Apr 2

Informed RRT*: Optimal Sampling-based Path Planning Focused via Direct Sampling of an Admissible Ellipsoidal Heuristic

Rapidly-exploring random trees (RRTs) are popular in motion planning because they find solutions efficiently to single-query problems. Optimal RRTs (RRT*s) extend RRTs to the problem of finding the optimal solution, but in doing so asymptotically find the optimal path from the initial state to every state in the planning domain. This behaviour is not only inefficient but also inconsistent with their single-query nature. For problems seeking to minimize path length, the subset of states that can improve a solution can be described by a prolate hyperspheroid. We show that unless this subset is sampled directly, the probability of improving a solution becomes arbitrarily small in large worlds or high state dimensions. In this paper, we present an exact method to focus the search by directly sampling this subset. The advantages of the presented sampling technique are demonstrated with a new algorithm, Informed RRT*. This method retains the same probabilistic guarantees on completeness and optimality as RRT* while improving the convergence rate and final solution quality. We present the algorithm as a simple modification to RRT* that could be further extended by more advanced path-planning algorithms. We show experimentally that it outperforms RRT* in rate of convergence, final solution cost, and ability to find difficult passages while demonstrating less dependence on the state dimension and range of the planning problem.

  • 3 authors
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Nov 27, 2014