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May 12

From scratch to silver: Creating trustworthy training data for patent-SDG classification using Large Language Models

Classifying patents by their relevance to the UN Sustainable Development Goals (SDGs) is crucial for tracking how innovation addresses global challenges. However, the absence of a large, labeled dataset limits the use of supervised learning. Existing methods, such as keyword searches, transfer learning, and citation-based heuristics, lack scalability and generalizability. This paper frames patent-to-SDG classification as a weak supervision problem, using citations from patents to SDG-tagged scientific publications (NPL citations) as a noisy initial signal. To address its sparsity and noise, we develop a composite labeling function (LF) that uses large language models (LLMs) to extract structured concepts, namely functions, solutions, and applications, from patents and SDG papers based on a patent ontology. Cross-domain similarity scores are computed and combined using a rank-based retrieval approach. The LF is calibrated via a custom positive-only loss that aligns with known NPL-SDG links without penalizing discovery of new SDG associations. The result is a silver-standard, soft multi-label dataset mapping patents to SDGs, enabling the training of effective multi-label regression models. We validate our approach through two complementary strategies: (1) internal validation against held-out NPL-based labels, where our method outperforms several baselines including transformer-based models, and zero-shot LLM; and (2) external validation using network modularity in patent citation, co-inventor, and co-applicant graphs, where our labels reveal greater thematic, cognitive, and organizational coherence than traditional technological classifications. These results show that weak supervision and semantic alignment can enhance SDG classification at scale.

  • 2 authors
·
Sep 11, 2025

Strategies for Improving NL-to-FOL Translation with LLMs: Data Generation, Incremental Fine-Tuning, and Verification

Logical reasoning is a fundamental task in natural language processing that presents significant challenges to Large Language Models (LLMs). The inherent characteristics of logical reasoning makes it well-suited for symbolic representations such as first-order logic (FOL). Research in symbolic logical reasoning explored FOL generation using state-of-the-art LLMs (i.e., GPT-4) to produce FOL translations of natural language (NL) statements, but errors in translation are usually not the focus. We address this by categorizing the translation errors in FOL statements generated by LLMs. To make progress towards improving the quality of FOL translations for smaller language models such as LLaMA-2 13B and Mistral 7B, we create ProofFOL, a high-quality FOL-annotated subset of ProofWriter dataset using GPT-4o. The models fine-tuned on this silver standard data achieve a significant gain in performance when compared to larger language models such as LLaMA-2 70B. In addition to improving the model using large data, we also tackle the issue of data scarcity and introduce an incremental framework encompassing of data augmentation and verification steps. In the augmentation process, a single pair of (premises, conclusion) is split into multiple new instances based on the predicates and FOLs. This data is used for fine-tuning, and the inference on this model generates FOLs with fewer errors over the model trained on the original data. Our investigation on the translation errors leads to generation of a perturbation dataset, which is used to train a verifier that corrects potential syntactic and semantic FOL translation errors. We demonstrate an efficient method for making the most of a limited existing human-annotated dataset. Our results show state-of-the-art performance for ProofWriter and ProntoQA datasets using ProofFOL on LLaMA-2 and Mistral models.

  • 4 authors
·
Sep 24, 2024

Initialization using Update Approximation is a Silver Bullet for Extremely Efficient Low-Rank Fine-Tuning

Low-rank adapters have become standard for efficiently fine-tuning large language models (LLMs), but they often fall short of achieving the performance of full fine-tuning. We propose a method, LoRA Silver Bullet or LoRA-SB, that approximates full fine-tuning within low-rank subspaces using a carefully designed initialization strategy. We theoretically demonstrate that the architecture of LoRA-XS, which inserts a learnable (r x r) matrix between B and A while keeping other matrices fixed, provides the precise conditions needed for this approximation. We leverage its constrained update space to achieve optimal scaling for high-rank gradient updates while removing the need for hyperparameter tuning. We prove that our initialization offers an optimal low-rank approximation of the initial gradient and preserves update directions throughout training. Extensive experiments across mathematical reasoning, commonsense reasoning, and language understanding tasks demonstrate that our approach exceeds the performance of standard LoRA while using 27-90 times fewer learnable parameters, and comprehensively outperforms LoRA-XS. Our findings establish that it is possible to simulate full fine-tuning in low-rank subspaces, and achieve significant efficiency gains without sacrificing performance. Our code is publicly available at https://github.com/RaghavSinghal10/lora-sb.

  • 6 authors
·
Nov 29, 2024

KinDER: A Physical Reasoning Benchmark for Robot Learning and Planning

Robotic systems that interact with the physical world must reason about kinematic and dynamic constraints imposed by their own embodiment, their environment, and the task at hand. We introduce KinDER, a benchmark for Kinematic and Dynamic Embodied Reasoning that targets physical reasoning challenges arising in robot learning and planning. KinDER comprises 25 procedurally generated environments, a Gymnasium-compatible Python library with parameterized skills and demonstrations, and a standardized evaluation suite with 13 implemented baselines spanning task and motion planning, imitation learning, reinforcement learning, and foundation-model-based approaches. The environments are designed to isolate five core physical reasoning challenges: basic spatial relations, nonprehensile multi-object manipulation, tool use, combinatorial geometric constraints, and dynamic constraints, disentangled from perception, language understanding, and application-specific complexity. Empirical evaluation shows that existing methods struggle to solve many of the environments, indicating substantial gaps in current approaches to physical reasoning. We additionally include real-to-sim-to-real experiments on a mobile manipulator to assess the correspondence between simulation and real-world physical interaction. KinDER is fully open-sourced and intended to enable systematic comparison across diverse paradigms for advancing physical reasoning in robotics. Website and code: https://prpl-group.com/kinder-site/

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
·
Oct 3, 2023

A Closed-Form Geometric Retargeting Solver for Upper Body Humanoid Robot Teleoperation

Retargeting human motion to robot poses is a practical approach for teleoperating bimanual humanoid robot arms, but existing methods can be suboptimal and slow, often causing undesirable motion or latency. This is due to optimizing to match robot end-effector to human hand position and orientation, which can also limit the robot's workspace to that of the human. Instead, this paper reframes retargeting as an orientation alignment problem, enabling a closed-form, geometric solution algorithm with an optimality guarantee. The key idea is to align a robot arm to a human's upper and lower arm orientations, as identified from shoulder, elbow, and wrist (SEW) keypoints; hence, the method is called SEW-Mimic. The method has fast inference (3 kHz) on standard commercial CPUs, leaving computational overhead for downstream applications; an example in this paper is a safety filter to avoid bimanual self-collision. The method suits most 7-degree-of-freedom robot arms and humanoids, and is agnostic to input keypoint source. Experiments show that SEW-Mimic outperforms other retargeting methods in computation time and accuracy. A pilot user study suggests that the method improves teleoperation task success. Preliminary analysis indicates that data collected with SEW-Mimic improves policy learning due to being smoother. SEW-Mimic is also shown to be a drop-in way to accelerate full-body humanoid retargeting. Finally, hardware demonstrations illustrate SEW-Mimic's practicality. The results emphasize the utility of SEW-Mimic as a fundamental building block for bimanual robot manipulation and humanoid robot teleoperation.

  • 14 authors
·
Feb 1

Opening the Blackbox: Accelerating Neural Differential Equations by Regularizing Internal Solver Heuristics

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

  • 4 authors
·
May 9, 2021

Suppressing the sample variance of DESI-like galaxy clustering with fast simulations

Ongoing and upcoming galaxy redshift surveys, such as the Dark Energy Spectroscopic Instrument (DESI) survey, will observe vast regions of sky and a wide range of redshifts. In order to model the observations and address various systematic uncertainties, N-body simulations are routinely adopted, however, the number of large simulations with sufficiently high mass resolution is usually limited by available computing time. Therefore, achieving a simulation volume with the effective statistical errors significantly smaller than those of the observations becomes prohibitively expensive. In this study, we apply the Convergence Acceleration by Regression and Pooling (CARPool) method to mitigate the sample variance of the DESI-like galaxy clustering in the AbacusSummit simulations, with the assistance of the quasi-N-body simulations FastPM. Based on the halo occupation distribution (HOD) models, we construct different FastPM galaxy catalogs, including the luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars, with their number densities and two-point clustering statistics well matched to those of AbacusSummit. We also employ the same initial conditions between AbacusSummit and FastPM to achieve high cross-correlation, as it is useful in effectively suppressing the variance. Our method of reducing noise in clustering is equivalent to performing a simulation with volume larger by a factor of 5 and 4 for LRGs and ELGs, respectively. We also mitigate the standard deviation of the LRG bispectrum with the triangular configurations k_2=2k_1=0.2 h/Mpc by a factor of 1.6. With smaller sample variance on galaxy clustering, we are able to constrain the baryon acoustic oscillations (BAO) scale parameters to higher precision. The CARPool method will be beneficial to better constrain the theoretical systematics of BAO, redshift space distortions (RSD) and primordial non-Gaussianity (NG).

  • 47 authors
·
Apr 3, 2024

The Milky Way stellar halo is twisted and doubly broken: insights from DESI DR2 Milky Way Survey observation

Using K giants from the second data release (DR2) of the Dark Energy Spectroscopic Instrument (DESI) Milky Way (MW) Survey, we measure the shape, orientation, radial profile, and density anisotropies of the MW stellar halo over 8 kpc<r_GC<200 kpc. We identify a triaxial stellar halo (axes ratio 10:8:7), 43 degrees tilted from the disk, showing two break radii at sim16 kpc and sim76 kpc, likely associated with Gaia-Sausage/Enceladus (GSE) and Large Magellanic Cloud (LMC), respectively. The inner stellar halo (<30 kpc) is oblate and aligned with the disk, whereas the outer stellar halo becomes prolate and perpendicular to the disk, consistent with the Vast Polar Structure of MW satellites. The twisted halo may arise from the disk-halo angular momentum shift triggered by the infall of a massive satellite. The anisotropic density distribution of the stellar halo is also measured, with successful re-identification of the Hercules-Aquila Cloud South/North (HAC-N/-S) and Virgo overdensities (VOD). Break radii are found at 15/30 kpc for VOD/HAC-N(-S). We identify the LMC transient density wake with a break radius at 60 kpc in the Pisces overdensity region. We also find new observational evidence of the LMC collective density wake, by showing a break radius at sim100 kpc in the northern Galactic cap with a clear density peak at 90 kpc. In the end, we found that more metal-poor halo stars are more radially extended. Our results provide important clues to the assembly and evolution of the MW stellar halo under the standard cosmic structure formation framework.

  • 48 authors
·
Dec 1, 2025

sangkuriang: A pseudo-spectral Python library for Korteweg-de Vries soliton simulation

The Korteweg-de Vries (KdV) equation serves as a foundational model in nonlinear wave physics, describing the balance between dispersive spreading and nonlinear steepening that gives rise to solitons. This article introduces sangkuriang, an open-source Python library for solving this equation using Fourier pseudo-spectral spatial discretization coupled with adaptive high-order time integration. The implementation leverages just-in-time (JIT) compilation for computational efficiency while maintaining accessibility for instructional purposes. Validation encompasses progressively complex scenarios including isolated soliton propagation, symmetric two-wave configurations, overtaking collisions between waves of differing amplitudes, and three-body interactions. Conservation of the classical invariants is monitored throughout, with deviations remaining small across all test cases. Measured soliton velocities conform closely to theoretical predictions based on the amplitude-velocity relationship characteristic of integrable systems. Complementary diagnostics drawn from information theory and recurrence analysis confirm that computed solutions preserve the regular phase-space structure expected for completely integrable dynamics. The solver outputs data in standard scientific formats compatible with common analysis tools and generates visualizations of spatiotemporal wave evolution. By combining numerical accuracy with practical accessibility on modest computational resources, sangkuriang offers a platform suitable for both classroom demonstrations of nonlinear wave phenomena and exploratory research into soliton dynamics.

  • 4 authors
·
Jan 17 2

Scaling physics-informed hard constraints with mixture-of-experts

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

  • 3 authors
·
Feb 20, 2024

AlphaOPT: Formulating Optimization Programs with Self-Improving LLM Experience Library

Optimization modeling enables critical decisions across industries but remains difficult to automate: informal language must be mapped to precise mathematical formulations and executable solver code. Prior LLM approaches either rely on brittle prompting or costly retraining with limited generalization. We present AlphaOPT, a self-improving experience library that enables an LLM to learn from limited demonstrations (even answers alone, without gold-standard programs) and solver feedback - without annotated reasoning traces or parameter updates. AlphaOPT operates in a continual two-phase cycle: (i) a Library Learning phase that reflects on failed attempts, extracting solver-verified, structured insights as {taxonomy, condition, explanation, example}; and (ii) a Library Evolution phase that diagnoses retrieval misalignments and refines the applicability conditions of stored insights, improving transfer across tasks. This design (1) learns efficiently from limited demonstrations without curated rationales, (2) expands continually without costly retraining by updating the library rather than model weights, and (3) makes knowledge explicit and interpretable for human inspection and intervention. Experiments show that AlphaOPT steadily improves with more data (65% to 72% from 100 to 300 training items) and surpasses the strongest baseline by 7.7% on the out-of-distribution OptiBench dataset when trained only on answers. Code and data are available at: https://github.com/Minw913/AlphaOPT.

  • 13 authors
·
Oct 21, 2025 2